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Artykuły w czasopismach na temat „Solid State Physics - Crystalline Order”

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1

Laridjani, M., and F. Dénoyer. "Study of geometrical local order in a non-ideal solid solution: an intermediary structure." Journal of Applied Crystallography 37, no. 5 (2004): 716–23. http://dx.doi.org/10.1107/s0021889804014657.

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One of the key obstacles in the progress of certain aspects of solid-state physics is the determination of the nature of irregularities in the atomic network of matter and their correlation with macroscopic properties. In this work, an original structural result is presented, namely the presence of icosahedral clusters in an Al solid solution, as deduced from the analysis of the total Fourier-space image. This work has led to the belief that these non-crystalline clusters create a fundamental irregularity in the network of a non-ideal solid solution.
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2

Gureva, S. A., A. K. Borisov, V. A. Marikhin, and V. M. Egorov. "Solid-state phase transition in n-alkanes of different parity." Journal of Physics: Conference Series 2086, no. 1 (2021): 012182. http://dx.doi.org/10.1088/1742-6596/2086/1/012182.

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Abstract The kinetics of the first-order solid-state structural transition in monodisperse n-alkanes samples of tricosane C23H48 and tetracosane C24H50 was studied by DSC and FTIR spectroscopy. The initial nuclei location of the new phase was revealed. The process of crystal structure rearrangement is initiated in the interlayers between neighboring lamellar for odd tricosane, while the nanonuclei in even tetracosane arise in the crystalline lamella cores. Thus, the influence of the number evenness of carbon atoms in the n-alkanes chains on the first-order structural phase transition has been
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3

Podmaniczky, Frigyes, and László Gránásy. "Nucleation and Post-Nucleation Growth in Diffusion-Controlled and Hydrodynamic Theory of Solidification." Crystals 11, no. 4 (2021): 437. http://dx.doi.org/10.3390/cryst11040437.

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Two-step nucleation and subsequent growth processes were investigated in the framework of the single mode phase-field crystal model combined with diffusive dynamics (corresponding to colloid suspensions) and hydrodynamical density relaxation (simple liquids). It is found that independently of dynamics, nucleation starts with the formation of solid precursor clusters that consist of domains with noncrystalline ordering (ringlike projections are seen from certain angles), and regions that have amorphous structure. Using the average bond order parameter q¯6, we distinguished amorphous, medium ran
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4

Lee, Byeong-Joo. "Thermodynamic analysis of solid-state metal/Si interfacial reactions." Journal of Materials Research 14, no. 3 (1999): 1002–17. http://dx.doi.org/10.1557/jmr.1999.0134.

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An attempt has been made to interpret the experimentally reported transitions of layer sequences during the Co/Si, Ti/Si, and Ni/Si interfacial reactions in a consistent way, and to build a thermodynamic calculation scheme that enables it. The basic ideas are that the silicide with the highest driving force of formation under a metastable local equilibrium state at an interface would form first at the lowest temperature, and that when several silicides can nucleate simultaneously and compete for growth at an initial stage of a high temperature reaction, the one whose composition is closest to
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5

Tan, T. Q., Mohd Sobri Idris, Rozana Aina Maulat Osman, Nor Azura Malini Ahmad Hambali, and M. V. Reddy. "Comparison of Structural and Electrical Behaviour of Phospho-Olivine LiNiPO4 and LiNi0.8Mn0.1Co0.1PO4 for High Voltage Rechargeable Li-Ion Batteries." Solid State Phenomena 280 (August 2018): 50–57. http://dx.doi.org/10.4028/www.scientific.net/ssp.280.50.

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Phase pure olivine LiNiPO4 and doped LiNi0.8Mn0.1Co0.1PO4 powders have been prepared by conventional solid state route. X-ray diffraction (XRD) combined with Rietveld refinements analysis reveals the formation of LiNiPO4 and doped LiNi0.8Mn0.1Co0.1PO4 with high crystalline nature at high temperature of 950 °C and 1000 °C. The lattice parameters of doped LiNi0.8Mn0.1Co0.1PO4 are significantly larger than LiNiPO4. It has been found out that the estimated crystallite size is in the order of nanometres for both samples. SEM analysis confirms that the particles have connected with each other in ran
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6

Vojtěch, Dalibor, Alena Michalcová, and Pavel Novák. "Structural Evolution of Al-Cr Alloy during Processing." Solid State Phenomena 138 (March 2008): 145–52. http://dx.doi.org/10.4028/www.scientific.net/ssp.138.145.

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Aluminium-chromium based alloys are promising candidates for manufacture of light components exposed to elevated temperatures. The work describes properties of Al-6.0wt.%Cr- 2.1wt.%Fe-0.5wt.%Ti alloy. The rapidly solidified powder was prepared by the pressure nitrogen melt atomization. The powder was then subject to heat treatment in order to investigate solid state phase transformations. Compaction of the powder was carried out by hot extrusion after preheating at 450 °C. Microstructure, phase composition and structural transformations on heat treatment were investigated in the as-atomized po
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7

Schmidbaur, Hubert, Theodore Zafiropoulos, Wolfgang Bublak, Paul Burkert, and Frank H. Köhler. "High Resolution and Solid State NMR Investigations of Subvalent Gallium Compounds." Zeitschrift für Naturforschung A 41, no. 1-2 (1986): 315–18. http://dx.doi.org/10.1515/zna-1986-1-258.

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The 71Ga NMR spectra of Ga[GaX4] melts and of solutions in benzene and other hydrocarbons show discrete sharp GaI and broad GaIII resonances. In the light of recent structure determinations, the solution GaI signals must be attributed to bis(arene)Ga+ complexes in which the gallium atom is η6-bonded to the hydrocarbons. The low line widths and strong high field shifts are attributed to an almost spherical shielding of the metal nucleus by the 4 s2 electrons. Solid state 69Ga and 71Ga NMR spectra of Ga[GaCl4] crystalline powder show only Ga1 resonances. While the 71GaI line is rather narrow, th
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8

ZHOU, TAO-YU, HUI WANG, XIAO-PING KANG, and XIN-QUAN XIN. "ROOM-TEMPERATURE SOLID-STATE REACTION TO TREE-LIKE FRACTAL NANO-CdS AND THIRD-ORDER NONLINEAR OPTICAL PROPERTIES." Nano 08, no. 04 (2013): 1350035. http://dx.doi.org/10.1142/s1793292013500355.

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A novel tree-like nano-cadmium sulfide (CdS) with the fractal feature is synthesized by solid-state reaction at room temperature from complex precursor with aminotrimethylenephosphonic acid (ATMP) as ligand. The obtained sample is the crystalline cubic beta cadmium sulfide. The tree is composed of nanorods with an average diameter of ca. 95 nm and a length of up to 100–650 nm. The nanorods grow in the asymmetrical "Y" shape. The amount of ATMP plays an important role in the formation of fractal structure. Nonlinear optical (NLO) measurements by the Z-scan technique exhibit that the tree-like f
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9

Wang, Yanan, Yong Wang, Jin Cheng, et al. "Recent Advances in the Application of Characterization Techniques for Studying Physical Stability of Amorphous Pharmaceutical Solids." Crystals 11, no. 12 (2021): 1440. http://dx.doi.org/10.3390/cryst11121440.

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The amorphous form of a drug usually exhibits higher solubility, faster dissolution rate, and improved oral bioavailability in comparison to its crystalline forms. However, the amorphous forms are thermodynamically unstable and tend to transform into a more stable crystalline form, thus losing their advantages. In order to investigate and suppress the crystallization, it is vital to closely monitor the drug solids during the preparation, storage, and application processes. A list of advanced techniques—including optical microscopy, surface grating decay, solid-state nuclear magnetic resonance,
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10

Mani, Ariyanan, Subramanian Tamil Selvan, and Kanala Lakshminarasimha Phani. "Solid state structural aspects of electrochemically prepared poly ( p -phenylene) thin films - crystalline order and spherulite morphology." Journal of Solid State Electrochemistry 2, no. 4 (1998): 242–46. http://dx.doi.org/10.1007/s100080050094.

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11

Bacchi, Alessia, Davide Capucci, and Paolo Pelagatti. "Trapping liquid drugs inside crystals." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C984. http://dx.doi.org/10.1107/s2053273314090159.

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The objective of this work is to embed liquid or volatile pharmaceuticals inside crystalline materials, in order to tune their delivery properties in medicine or agrochemistry, and to explore new regulatory and intellectual properties issues. Liquid or volatile formulations of active pharmaceutical ingredients (APIs) are intrinsically less stable and durable than solid forms; in fact most drugs are formulated as solid dosage because they tend to be stable, reproducible, and amenable to purification. Most drugs and agrochemicals are manufactured and distributed as crystalline materials, and the
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12

Kaupp, Gerd. "Solid-state photochemistry: new approaches based on new mechanistic insights." International Journal of Photoenergy 3, no. 2 (2001): 55–62. http://dx.doi.org/10.1155/s1110662x01000071.

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The application of atomic force microscopy (AFM) to solid-state photodimerizations revealed previously unexpected long-range molecular movements in the initial stages (phase rebuilding) and in the final stages (phase transformation and disintegration) of reaction. The consequences for the new understanding of solid-state photochemistry are discussed. The 4.2 Å criterion of organic topochemistry lacks a real basis and is not applicable to regular photolyses, even under tail irradiation conditions for instance ofα-cinnamic acid or inE/Z-isomerizations in the crystal bulk. The experimental observ
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13

Sobol, O. V., O. N. Grigoryev, YU A. Kunitsky, S. N. Dub, A. A. Podtelezhnikov, and A. N. Stetsenko. "Peculiarities of structure state and mechanical characteristics in ion-plasma condensates of quasibinary system borides W2B5-TiB2." Science of Sintering 38, no. 1 (2006): 63–72. http://dx.doi.org/10.2298/sos0601063s.

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In order to create high-durable, wear-resistant materials for a wide range of functional applications, comparative investigations of the structure and mechanical characteristics of ion-plasma Ti-W-B nano-crystalline condensates were carried out. The range of condensation rates 0.11?0.25nm/s was found to be critical for the coatings obtained from the target with 80 vol% W2B5-20 vol% TiB2. Below this, a phase with a cubic lattice (W,Ti)B0.7?1.2(O,N,C)0.3?0.2 formed, while over this range, a solid solution (W,Ti)B2 with a hexagonal lattice and element composition close to the sputtered target was
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14

Gerile, Naren, H. Alata, Tian Xiao, Ta Na Bao, and Ojin Tegus. "Preparation and Characterization of Stable Molecular Glasses of Europium(III) Acyl-Alaninate Complexes." Solid State Phenomena 271 (January 2018): 34–39. http://dx.doi.org/10.4028/www.scientific.net/ssp.271.34.

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Working with acylaminocarboxylate ligands, we used ethanol and water as a solvent, and the europium complexes were prepared using a chemical reaction method in solution. The elements were analyzed and characterized by polarizing microscope and XRD, respectively. The surfaces of complexes in the solid state were observed by polarizing microscope morphology. XRD diffraction data confirms the periodic long range order/disorder structure of these europium complexes. We also found that diversified material was easily formed by the rare earth complexes. Using the above tests, the structural informat
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15

ZHANG, S. K., H. F. LI, Y. HE, Y. HE, and Y. ZHOU. "MICROSTRUCTURE AND THERMPROPERTIES OF N-OCTADECANE DURING PHASE TRANSION: A MOLECULAR DYNAMICS SIMULATION." Journal of Ovonic Research 17, no. 1 (2021): 1–10. http://dx.doi.org/10.15251/jor.2021.171.1.

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The thermophysical properties and microstructure of n-octadecane with crystalline and amorphous were investigated by employing the molecular dynamics (MD) simulation. The distribution of the end to end distance and bond torsion angle of the n-octadecane molecular chain and the mean square displacement and thermal conductivity before and after phase transition were also examined. MD simulation results indicates that the molecular chain conformation of amorphous n-octadecane in solid state is gradually changed from stretching to torsion by increasing temperature, and the chains will stretch out
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16

Asthalter, Tanja, and Wolf Weyrich. "The Anisotropy of the Reciprocal Form Factor and the Electronic Structure of Crystalline Lithium Hydride." Zeitschrift für Naturforschung A 48, no. 1-2 (1993): 303–9. http://dx.doi.org/10.1515/zna-1993-1-257.

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Abstract New high-precision measurements of the isotropic as well as of three directional Compton spectra of lithium hydride have been carried out using241 Am as a γ-ray source. In order to account for the extreme sensitivity of LiH powder to atmospheric moisture, the final data (i.e. the reciprocal form factor) were corrected for the LiOH content determined by titrimetric analysis. For the interpretation of the data, theoretical calculations were carried out using a Hartree-Fock program for periodic systems (CRYSTAL). Basis sets published by Dovesi et al. were used, one of which allows for po
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17

Cao, Fengze, Hongwei Chen, Yi Lu, Jianjun Zhao, Taichao Su, and Xiang Jin. "Magnetic and magnetocaloric properties of crystalline DyFe1−xMnxO3." International Journal of Modern Physics B 33, no. 28 (2019): 1950335. http://dx.doi.org/10.1142/s0217979219503351.

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DyFe[Formula: see text]Mn[Formula: see text]O3 (x[Formula: see text]=[Formula: see text]0, 0.025, 0.075, 0.15) polycrystalline samples were prepared using a traditional solid-state reaction route. The structural, magnetic and magnetocaloric properties of these samples were investigated. X-ray diffraction patterns showed that the samples exist as single-phase crystallines without peaks. The results of the Scanning Electron Microscopy (SEM) revealed that the average size of the polycrystalline particles decreased from 4.34 to 3.00 [Formula: see text]m as the Mn doping amount increased from 0.00
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18

Gray, Derek G. "Order and gelation of cellulose nanocrystal suspensions: an overview of some issues." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 376, no. 2112 (2017): 20170038. http://dx.doi.org/10.1098/rsta.2017.0038.

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Cellulose nanocrystals (CNCs) are polydisperse rod-shaped particles of crystalline cellulose I, typically prepared by sulfuric acid hydrolysis of natural cellulose fibres to give aqueous colloidal suspensions stabilized by sulfate half-ester groups. Sufficiently dilute suspensions are isotropic fluids, but as the concentration of CNC in water is increased, a critical concentration is reached where a spontaneously ordered phase is observed. The (equilibrium) phase separation of the ordered chiral nematic phase is in competition with a tendency of the CNC suspension to form a gel. Qualitatively,
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19

Lee, Young Pak, Jin Bae Kim, Young Joon Yoo, and Yuri V. Kudryavtsev. "Solid-state reaction in Ni/Si multilayered films, characterized by magneto-optical and optical spectroscopies." International Journal of Materials Research 97, no. 2 (2006): 136–39. http://dx.doi.org/10.1515/ijmr-2006-0023.

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Abstract Solid-state reactions, induced by ion-beam mixing (IBM) and thermal annealing, in Ni/Si multilayered films (MLF) with an overall stoichiometry of Ni2Si, NiSi and NiSi2, and with a constant Ni sublayer thickness (nominally, 3.0 nm), were studied by optical and magneto-optical spectroscopies as well as X-ray diffraction (XRD). The layer mixing was performed with Ar+ ions of an energy of 80 keV and a dose of 1.5 × 1016 Ar+/cm2. It was shown that the IBM leads to structural changes in the Ni/Si MLF, which cannot be easily detected by XRD but are recognized by optical tools. An annealing a
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20

Brus, Jiri, Jiri Czernek, Martina Urbanova, and Ctirad Červinka. "Enantiotropy of Simvastatin as a Result of Weakened Interactions in the Crystal Lattice: Entropy-Driven Double Transitions and the Transient Modulated Phase as Seen by Solid-State NMR Spectroscopy." Molecules 27, no. 3 (2022): 679. http://dx.doi.org/10.3390/molecules27030679.

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In crystalline molecular solids, in the absence of strong intermolecular interactions, entropy-driven processes play a key role in the formation of dynamically modulated transient phases. Specifically, in crystalline simvastatin, the observed fully reversible enantiotropic behavior is associated with multiple order–disorder transitions: upon cooling, the dynamically disordered high-temperature polymorphic Form I is transformed to the completely ordered low-temperature polymorphic Form III via the intermediate (transient) modulated phase II. This behavior is associated with a significant reduct
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21

Bertero, G. A., T. C. Hufnagel, B. M. Clemens, and R. Sinclair. "TEM analysis of Co–Gd and Co–Gd multilayer structures." Journal of Materials Research 8, no. 4 (1993): 771–74. http://dx.doi.org/10.1557/jmr.1993.0771.

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Sputter-deposited Co–Gd and Cr–Gd multilayer films were studied by high resolution transmission electron microscopy (HRTEM). These two systems are expected to give rise to quite different structures. In good agreement with predictions, the individual Cr and Gd layers were found to be 100% crystalline with sharp interfaces and no noticeable intermixing. Conversely, the Co–Gd multilayer system underwent a solid state amorphization reaction during the deposition itself. This reaction has been found elsewhere to show an asymmetric character with the order of deposition, strong evidence for which i
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22

Ramirez, Rafael, Reinhard Nesper, Hans Georg von Schnering та Michael C. Böhm. "The Electronic Structure of Crystalline Li21Si5. A Cluster Approach to a γ-Brass Structure". Zeitschrift für Naturforschung A 41, № 11 (1986): 1267–82. http://dx.doi.org/10.1515/zna-1986-1102.

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The electronic structure of crystalline Li21Si5 is investigated by semiempirical MO (molecular orbital) calculations of the INDO (intermediate neglect of differential overlap) type in the framework of a finite cluster approach. The complex solid-state ensemble with 416 atoms per unit cell is divided into 16 cluster units M26 that form the three-dimensional structure. These M26 clusters have two different chemical compositions and act as formal donor and acceptor fragments, namely D = (Li20Si6) and A = (Li22Si4), having the formal net charges q(D ) = - 4 and q(A) = + 4. The electronic structure
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23

Chambers, A., N. M. Rodriguez, and R. T. K. Baker. "Influence of copper on the structural characteristics of carbon nanofibers produced from the cobalt-catalyzed decomposition of ethylene." Journal of Materials Research 11, no. 2 (1996): 430–38. http://dx.doi.org/10.1557/jmr.1996.0052.

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We have used a combination of techniques to examine modifications in the structural characteristics of carbon nanofibers produced from the interaction of cobalt and copper-cobalt powders with ethylene at temperatures over the range 425 to 700 °C. The nanofibers generated from the interaction of cobalt with ethylene at 600 °C were found to be highly crystalline in nature. Incorporation of as little as 2% copper into the cobalt created a major modification in the conformation of the solid carbon deposit, which was composed of multiple nanofiber limbs emanating from a single catalyst particle, an
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24

Mathad, Shridhar N., A. T. Pathan, A. M. Shaikh, and S. K. Sushant. "The Effect of synthesis methods and comparative study of structural properties of micro and nano Ferrites." Physics and Chemistry of Solid State 24, no. 1 (2023): 77–83. http://dx.doi.org/10.15330/pcss.24.1.77-83.

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In this study, Mn(x)Zn(1-x)Fe2O4 ferrite samples with x=0.4 and 0.6 were synthesized using a solid-state method and co-precipitation method. In order to determine the effects of various concentrations (x) on the ferrite's structure, particle size, and crystalline phases, prepared samples were analysed using X-ray diffraction (XRD). The XRD patterns revealed that the synthesized samples display a single-phase cubic spinel structure.FTIR analysis showed for both synthesis method have absorption band in the range 400 to 1000 cm-1.SEM analysis shows extreme homogeneity of all the samples. EDX anal
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25

Krivchikov, Alexander, Ove Andersson, Oksana Korolyuk, and Oleksii Kryvchikov. "Thermal Conductivity of Solid Triphenyl Phosphite." Molecules 27, no. 23 (2022): 8399. http://dx.doi.org/10.3390/molecules27238399.

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The thermal conductivity, κ, of solid triphenyl phosphite was measured by using the transient hot-wire method, and its temperature and pressure dependencies were analyzed to understand heat transfer processes in the solid polymorphic phases, as well as in the glass and the exotic glacial state. Phase transformations and the structural order of the phases are discussed, and a transitional pressure–temperature diagram of triphenyl phosphite is presented. The thermal conductivity of both the crystalline and disordered states is described within the theory of two-channel heat transfer by phonons a
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26

Baptista, João A., Mário T. S. Rosado, Ricardo A. E. Castro, et al. "Dihydrofolate Reductase Inhibitors: The Pharmacophore as a Guide for Co-Crystal Screening." Molecules 26, no. 21 (2021): 6721. http://dx.doi.org/10.3390/molecules26216721.

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In this work, co-crystal screening was carried out for two important dihydrofolate reductase (DHFR) inhibitors, trimethoprim (TMP) and pyrimethamine (PMA), and for 2,4-diaminopyrimidine (DAP), which is the pharmacophore of these active pharmaceutical ingredients (API). The isomeric pyridinecarboxamides and two xanthines, theophylline (THEO) and caffeine (CAF), were used as co-formers in the same experimental conditions, in order to evaluate the potential for the pharmacophore to be used as a guide in the screening process. In silico co-crystal screening was carried out using BIOVIA COSMOquick
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27

Burns, S. J., J. Ryan Rygg, Danae Polsin, et al. "Planar, longitudinal, compressive waves in solids: Thermodynamics and uniaxial strain restrictions." Journal of Applied Physics 131, no. 21 (2022): 215904. http://dx.doi.org/10.1063/5.0097342.

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A new tri-axial pressure-based constitutive expression has been found using Cauchy's stress tensor. This stress state emphasizes pressure and shear stress. The description is a pressure plus an effective shear stress allowing for a constitutive law based on atomic solid-state phase changes in crystalline cells due to pressure plus shear-based dislocation motion commonly associated with plasticity. Pressure has a new role in the material's constitutive response as it is separated from plasticity. The thermo-mechanical system describes third-order Gibbs’ expressions without specific volume restr
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28

Burns, S. J., J. Ryan Rygg, Danae Polsin, et al. "Planar, longitudinal, compressive waves in solids: Thermodynamics and uniaxial strain restrictions." Journal of Applied Physics 131, no. 21 (2022): 215904. http://dx.doi.org/10.1063/5.0097342.

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A new tri-axial pressure-based constitutive expression has been found using Cauchy's stress tensor. This stress state emphasizes pressure and shear stress. The description is a pressure plus an effective shear stress allowing for a constitutive law based on atomic solid-state phase changes in crystalline cells due to pressure plus shear-based dislocation motion commonly associated with plasticity. Pressure has a new role in the material's constitutive response as it is separated from plasticity. The thermo-mechanical system describes third-order Gibbs’ expressions without specific volume restr
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29

Ichikawa, Takahiro, Yui Sasaki, Tsubasa Kobayashi, Hikaru Oshiro, Ayaka Ono, and Hiroyuki Ohno. "Design of Ionic Liquid Crystals Forming Normal-Type Bicontinuous Cubic Phases with a 3D Continuous Ion Conductive Pathway." Crystals 9, no. 6 (2019): 309. http://dx.doi.org/10.3390/cryst9060309.

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We have prepared a series of pyridinium-based gemini amphiphiles. They exhibit thermotropic liquid–crystalline behavior depending on their alkyl chain lengths and anion species. By adjusting the alkyl chain lengths and selecting suitable anions, we have obtained an ionic amphiphile that exhibits a normal-type bicontinuous cubic phase from 38 °C to 12 °C on cooling from an isotropic phase. In the bicontinuous cubic liquid–crystalline assembly, the pyridinium-based ionic parts align along a gyroid minimal surface forming a 3D continuous ionic domain while their ionophobic alkyl chains form 3D br
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30

Wang, Ningning, Yuhao Gu, M. A. McGuire, et al. "A density-wave-like transition in the polycrystalline V3Sb2 sample with bilayer kagome lattice." Chinese Physics B 31, no. 1 (2022): 017106. http://dx.doi.org/10.1088/1674-1056/ac4227.

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Recently, transition-metal-based kagome metals have aroused much research interest as a novel platform to explore exotic topological quantum phenomena. Here we report on the synthesis, structure, and physical properties of a bilayer kagome lattice compound V3Sb2. The polycrystalline V3Sb2 samples were synthesized by conventional solid-state-reaction method in a sealed quartz tube at temperatures below 850 °C. Measurements of magnetic susceptibility and resistivity revealed consistently a density-wave-like transition at T dw ≈ 160 K with a large thermal hysteresis, even though some sample-depen
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31

Ueda, Takahiro, and Nobuo Nakamura. "Nature of Hydration Water in (±)-Tris(ethylenediamine)cobalt(III) Chloride Hydrate, (±)-[Co(en)3]Cl3 · nH2O, as Studied by 1H, 2H, and 17O Solid State NMR." Zeitschrift für Naturforschung A 55, no. 1-2 (2000): 362–68. http://dx.doi.org/10.1515/zna-2000-1-266.

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The static and dynamics properties of hydration water molecules in (±)-[Co(en)3]Cl3 were studied by means of 1H, 2H, and , 17O solid state NMR. By 'H pulsed field gradient (PFG) NMR the apparent diffusion coefficient of mobile water through a micropore along the crystalline unique c-axis was found to be 1.0 x 10-9 m2 s-1 . The 2H NMR spectrum at 141 K consists of two components, one being a Pake doublet corresponding to a quadrupole coupling constant (QCC) of (226 ± 2) kHz and an asymmetry parameter of the electric field gradient η of 0.08 ± 0.01, and another being a Gaussian line with a linew
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Vogel, Nicolas, Ulrich Ziener, Achim Manzke, et al. "Platinum nanoparticles from size adjusted functional colloidal particles generated by a seeded emulsion polymerization process." Beilstein Journal of Nanotechnology 2 (August 18, 2011): 459–72. http://dx.doi.org/10.3762/bjnano.2.50.

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The benefits of miniemulsion and emulsion polymerization are combined in a seeded emulsion polymerization process with functional seed particles synthesized by miniemulsion polymerization. A systematic study on the influence of different reaction parameters on the reaction pathway is conducted, including variations of the amount of monomer fed, the ratio of initiator to monomer and the choice of surfactant and composition of the continuous phase. Critical parameters affecting the control of the reaction are determined. If carefully controlled, the seeded emulsion polymerization with functional
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Czernek, Jiří, and Jiří Brus. "Polymorphic Forms of Valinomycin Investigated by NMR Crystallography." International Journal of Molecular Sciences 21, no. 14 (2020): 4907. http://dx.doi.org/10.3390/ijms21144907.

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A dodecadepsipeptide valinomycin (VLM) has been most recently reported to be a potential anti-coronavirus drug that could be efficiently produced on a large scale. It is thus of importance to study solid-phase forms of VLM in order to be able to ensure its polymorphic purity in drug formulations. The previously available solid-state NMR (SSNMR) data are combined with the plane-wave DFT computations in the NMR crystallography framework. Structural/spectroscopical predictions (the PBE functional/GIPAW method) are obtained to characterize four polymorphs of VLM. Interactions which confer a confor
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34

Dravid, Vinayak P., Xiwei Lin, Hong Zhang, Shengzhong Liu, and Manfred M. Kappes. "Transmission electron microscopy of C70 single crystals at room temperature." Journal of Materials Research 7, no. 9 (1992): 2440–46. http://dx.doi.org/10.1557/jmr.1992.2440.

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Transmission electron microscopy (TEM) techniques have been employed to study the room temperature solid state form of chromatographically purified C70. Tilting and electron diffraction experiments in three-dimensional reciprocal space, on samples prepared by crystallization from several different solvents, show that C70 crystallites adopt hexagonal close packed (hcp) structure with a = 1.01 ± 0.05 nm and c = 1.70 ± 0.08 nm. The extinctions and observed reflections conform to the P63/mmc space group. High resolution TEM images reveal the molecular order and periodicity associated with C70 crys
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35

Gámez-Valenzuela, Sergio, Angela Benito-Hernández, Marcelo Echeverri, et al. "Functionalized Crystalline N-Trimethyltriindoles: Counterintuitive Influence of Peripheral Substituents on Their Semiconducting Properties." Molecules 27, no. 3 (2022): 1121. http://dx.doi.org/10.3390/molecules27031121.

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Three crystalline N-trimethyltriindoles endowed with different functionalities at 3, 8 and 13 positions (either unsubstituted or with three methoxy or three acetyl groups attached) are investigated, and clear correlations between the electronic nature of the substituents and their solid-state organization, electronic properties and semiconductor behavior are established. The three compounds give rise to similar columnar hexagonal crystalline structures; however, the insertion of electron-donor methoxy groups results in slightly shorter stacking distances when compared with the unsubstituted de
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36

Maillard, Pascal, Patricia Bénard-Rocherullé, Thierry Roisnel, and Franck Tessier. "X-ray powder diffraction investigation of new oxynitride precursors: rare earth oxide compounds of fluorite- and sheelite-type structures in the Yb-(Zr,W)-O system." Powder Diffraction 22, no. 4 (2007): 344–51. http://dx.doi.org/10.1154/1.2796189.

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Nanocrystallized oxide precursors of colored (oxy)nitrides related to the system Yb-(Zr-W)-O have been successfully prepared using a chimie douce process—the amorphous citrate route. The process involves first a formation of fine and homogeneous powdered solids obtained by calcination at 600 °C, a temperature much lower than that of the conventional solid-state method. At this stage, the X-ray diffraction patterns exhibit large line broadening effects. Finally, two well-crystallized and pure quaternary oxides have been readily obtained by heating and under annealing conditions at 850 and 900 °
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37

Schneidewind, Henrik, Thomas Schüler, Katharina K. Strelau, et al. "The morphology of silver nanoparticles prepared by enzyme-induced reduction." Beilstein Journal of Nanotechnology 3 (May 18, 2012): 404–14. http://dx.doi.org/10.3762/bjnano.3.47.

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Silver nanoparticles were synthesized by an enzyme-induced growth process on solid substrates. In order to customize the enzymatically grown nanoparticles (EGNP) for analytical applications in biomolecular research, a detailed study was carried out concerning the time evolution of the formation of the silver nanoparticles, their morphology, and their chemical composition. Therefore, silver-nanoparticle films of different densities were investigated by using scanning as well as transmission electron microscopy to examine their structure. Cross sections of silver nanoparticles, prepared for anal
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38

ORTIZ DIAZ, O., J. ROA-ROJAS, D. A. LANDÍNEZ TÉLLEZ та J. ALBINO AGUIAR. "EVALUATION OF Sr2YSbO6 AS A NEW SUBSTRATE FOR YBa2Cu3O7-δ SUPERCONDUCTOR THIN FILMS". Modern Physics Letters B 18, № 19n20 (2004): 1035–42. http://dx.doi.org/10.1142/s0217984904007578.

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A complex perovskite oxide Sr 2 YSbO 6 has been synthesized by solid-state reaction. X-ray diffraction (XRD) pattern reveals that Sr 2 YSbO 6 has an ordered complex cubic structure characteristic of A 2 BB ' O 6 crystalline structure with lattice constant a=8.2561 Å which has a fairly good lattice matching (lattice mismatch of the order of 8%) with YBa 2 Cu 3 O 7-δ. Energy dispersive X-ray (EDX) analysis shows that Sr 2 YSbO 6 is free of impurity traces. The chemical stability of Sr 2 YSbO 6 with YBa 2 Cu 3 O 7-δ superconducting has been studied by X-ray diffraction and magnetic measurements o
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39

Majhi, Debashis, Andrei V. Komolkin, and Sergey V. Dvinskikh. "NMR Spectroscopic Studies of Cation Dynamics in Symmetrically-Substituted Imidazolium-Based Ionic Liquid Crystals." International Journal of Molecular Sciences 21, no. 14 (2020): 5024. http://dx.doi.org/10.3390/ijms21145024.

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Ionic liquid crystals (ILCs) present a new class of non-molecular soft materials with a unique combination of high ionic conductivity and anisotropy of physicochemical properties. Symmetrically-substituted long-chain imidazolium-based mesogenic ionic liquids exhibiting a smectic liquid crystalline phase were investigated by solid state NMR spectroscopy and computational methods. The aim of the study was to reveal the correlation between cation size and structure, local dynamics, and orientational order in the layered mesophase. The obtained experimental data are consistent with the model of a
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40

Ali, Tahir, Ernst Bauer, Gerfried Hilscher та Herwig Michor. "Structural, Superconducting and Magnetic Properties of La3-XRxNi2B2N3-δ with R = Ce, Pr, Nd". Solid State Phenomena 170 (квітень 2011): 165–69. http://dx.doi.org/10.4028/www.scientific.net/ssp.170.165.

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We report on structural and superconducting properties of La3-xRxNi2B2N3- where La is substituted by the magnetic rare-earth elements Ce, Pr, Nd. The compounds Pr3Ni2B2N3- and Nd3Ni2B2N3- are characterized for the first time. Powder X-ray diffraction confirmed all samples R3Ni2B2N3- with R = La, Ce, Pr, Nd and their solid solutions to crystallize in the body centered tetragonal La3Ni2B2N3 structure type. Superconducting and magnetic properties of La3-xRxNi2B2N3- were studied by resistivity, specific heat and susceptibility measurements. While La3Ni2B2N3- has a superconducting transition
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41

Kułacz, Karol, Michał Pocheć, Aneta Jezierska, and Jarosław J. Panek. "Naphthazarin Derivatives in the Light of Intra- and Intermolecular Forces." Molecules 26, no. 18 (2021): 5642. http://dx.doi.org/10.3390/molecules26185642.

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Our long-term investigations have been devoted the characterization of intramolecular hydrogen bonds in cyclic compounds. Our previous work covers naphthazarin, the parent compound of two systems discussed in the current work: 2,3-dimethylnaphthazarin (1) and 2,3-dimethoxy-6-methylnaphthazarin (2). Intramolecular hydrogen bonds and substituent effects in these compounds were analyzed on the basis of Density Functional Theory (DFT), Møller–Plesset second-order perturbation theory (MP2), Coupled Clusters with Singles and Doubles (CCSD) and Car-Parrinello Molecular Dynamics (CPMD). The simulation
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42

Um, Keehong. "Improving the Sound Pressure Level of Two-Dimensional Audio Actuators by Coating Single-Walled Carbon Nanotubes on Piezoelectric Films." Journal of Nanoscience and Nanotechnology 15, no. 10 (2015): 7546–50. http://dx.doi.org/10.1166/jnn.2015.11164.

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As devices for amplifying or transforming electronic signals into audible signals through electromechanical operations, acoustic actuators in the form of loudspeakers are usually solid structures in three dimensional space. Recently there has been increasing demand for mobile electronic devices, such as mobile phones, to become smaller, thinner, and lighter. In contrast to a three dimensional audio system with magnets, we have invented a new type of flexible two dimensional device by utilizing the reverse piezoelectric effect in certain piezoelectric materials. Crystalline piezoelectric materi
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43

Rajan, S., R. Shukla, A. Kumar, A. Vyas, S. Khan, and R. Brajpuriya. "Mössbauer and magnetization studies of mechanically milled nanocrystalline Fe1–xAlx alloys." Canadian Journal of Physics 93, no. 11 (2015): 1257–63. http://dx.doi.org/10.1139/cjp-2014-0685.

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Changes in the magnetic behavior of Fe1–xAlx (x = 0.3, 0.4, 0.5, 0.6) powders during mechanical alloying have been studied. The ball milling process leads to formation of solid state reaction assisted by severe plastic deformation because of which crystallite size is reduced and as a result of which interesting magnetic properties are developed. The evolution of magnetic order in high-energy ball-milled Fe–Al solid solution is investigated using 57Fe Mössbauer spectroscopy and vibrating sample magnetometer. Mössbauer spectra and the hyperfine field distributions of all the samples show the pre
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44

Agrafonov, Yury V., and Ivan S. Petrushin. "Random First Order Transition from a Supercooled Liquid to an Ideal Glass (Review)." Kondensirovannye sredy i mezhfaznye granitsy = Condensed Matter and Interphases 22, no. 3 (2020): 291–302. http://dx.doi.org/10.17308/kcmf.2020.22/2959.

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The random first order transition theory (RFOT) describing the transition from a supercooled liquid to an ideal glass has been actively developed over the last twenty years. This theory is formulated in a way that allows a description of the transition from the initial equilibrium state to the final metastable state without considering any kinetic processes. The RFOT and its applications for real molecular systems (multicomponent liquids with various intermolecular potentials, gel systems, etc.) are widely represented in English-language sources. However, these studies are practically not desc
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45

Pascale, Lise, Marco Truccato, Lorenza Operti, and Angelo Agostino. "Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 72, no. 5 (2016): 702–8. http://dx.doi.org/10.1107/s2052520616009823.

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High-Tcsuperconducting cuprates (HTSC) such as YBa2Cu3O7 − x(YBCO) are promising candidates for solid-state THz applications based on stacks of intrinsic Josephson junctions (IJJs) with atomic thickness. In view of future exploitation of IJJs, high-quality superconducting YBCO tape-like single crystals (whiskers) have been synthesized from Ca–Al-doped precursors in the presence of Te. The main aim of this paper is to determine the importance of the simultaneous use of Al, Te and Ca in promoting YBCO whiskers growth with good superconducting properties (Tc= 79–84 K). Further, single-crystal X-r
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Gogolin, Mathias, M. Mangir Murshed, Lkhamsuren Bayarjargal, Detlef Klimm, and Thorsten M. Gesing. "Thermal anomalies and phase transitions in Pb2Sc2Si2O9 and Pb2In2Si2O9." Zeitschrift für Kristallographie - Crystalline Materials 236, no. 11-12 (2021): 283–92. http://dx.doi.org/10.1515/zkri-2021-2046.

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Abstract Pb2Sc2Si2O9 and Pb2In2Si2O9, respectively, the scandium and indium containing structural analogues of the mineral kentrolite are grown by spontaneous crystallization from a PbO flux. The corresponding polycrystalline powder samples are synthesized by conventional solid-state approach. The compounds are thoroughly characterized using temperature-dependent single crystal and powder X-ray diffraction, heat capacity measurements, second harmonic generation experiments and Raman spectroscopy. At ambient conditions, both compounds crystallize in the non-centrosymmetric Pna21 space group and
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47

Janelidze, Inga, Gigo Jandieri, and Tamar Tsertsvadze. "Thermodynamic analysis of interaction of components in the SIO2-C system: improvement of technical silicon production technological process." Physics and Chemistry of Solid State 22, no. 2 (2021): 345–52. http://dx.doi.org/10.15330/pcss.22.2.345-352.

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In order to identify ways to improve the technological process of smelting metallic (crystalline) silicon of technical purity, a thermodynamic analysis of the interaction of components in the SiO2-C system is carried out that reveals the main factor in obtaining high-quality technical silicon is the elimination of superposition of the silicon carbonization process that is possible by carrying out a two-stage carbothermal reduction reaction, in that firstly the incomplete reduction of silica (SiO2) by solid carbon (C) is provided, accompanied by the release of new reacting gas components - SiO
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48

Püschel, Dietrich, Simon Hédé, Iván Maisuls, et al. "Enhanced Solid-State Fluorescence of Flavin Derivatives by Incorporation in the Metal-Organic Frameworks MIL-53(Al) and MOF-5." Molecules 28, no. 6 (2023): 2877. http://dx.doi.org/10.3390/molecules28062877.

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The flavin derivatives 10-methyl-isoalloxazine (MIA) and 6-fluoro-10-methyl-isoalloxazine (6F-MIA) were incorporated in two alternative metal-organic frameworks, (MOFs) MIL-53(Al) and MOF-5. We used a post-synthetic, diffusion-based incorporation into microcrystalline MIL-53 powders with one-dimensional (1D) pores and an in-situ approach during the synthesis of MOF-5 with its 3D channel network. The maximum amount of flavin dye incorporation is 3.9 wt% for MIA@MIL-53(Al) and 1.5 wt% for 6F-MIA@MIL-53(Al), 0.85 wt% for MIA@MOF-5 and 5.2 wt% for 6F-MIA@MOF-5. For the high incorporation yields th
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49

Strauss, Roman, Sigmar Braun, Shi-qi Dou, Hartmut Fuess, and Alarich Weiss. "Phase Diagram of the Orientationally Order-disorder Binary System 2,2-dimethyl-1,3-propanediol / 2,2-dimethyl-1,3-diaminopropane, [(CH3)2 C(CH2OH)2]x [(CH3)2C(CH2NH2)2]1-x · A Thermodynamic, X-ray, and 1H-NMR study." Zeitschrift für Naturforschung A 51, no. 7 (1996): 871–81. http://dx.doi.org/10.1515/zna-1996-0712.

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AbstractThe phase diagram of the binary system [2,2-dimethyl-1,3-propanediol]x (1) / [2,2-dimethyl-1,3- diaminopropane]1-x (2) was studied by X-ray diffraction and DTA/DSC, for (2) also by 1H-NMR. The system is miscible over the whole concentration range 0 ≤ x ≤ 1 in the liquid state and in the plastic solid state, phase I, just below the melting point. At lower temperatures the system is demixing, and at room temperature two plastic mixed crystals coexist. The plastic phases of (1), (2), and (l)x(2)1-x crystallize face centered cubic, Fm3m, Z = 4, the lattice constants decreasing linearely wi
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50

Meng, Junqing, Ruquan Zhong, Jiaxing Niu, Shichao Li, and Baisheng Nie. "Characterization of Nanostructure Evolution in Coal Molecules of Different Ranks." Journal of Nanoscience and Nanotechnology 21, no. 1 (2021): 405–21. http://dx.doi.org/10.1166/jnn.2021.18720.

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Four coals samples at different ranks were analyzed by Fourier transform infrared (FTIR), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and solid-state 13C nuclear magnetic resonance (NMR). The calculated coal molecular model was constructed according to the experimental data. The mode of evolution of four coal molecules with different metamorphic degrees was explored. The results indicate that the nanostructures of these four coal molecules mainly consist of aromatic structures, aliphatic structures and oxygen-containing functional groups. The coal metamorphic degree is the
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