Relevant bibliographies by topics / Vacancy defects

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Book chapters
  4. Conference papers
  5. Reports

Academic literature on the topic 'Vacancy defects'

Author: Grafiati
Published: 4 June 2021
Last updated: 16 February 2022

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Journal articles on the topic "Vacancy defects"

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Melikhova, Oksana, Jakub Čížek, Ivan Procházka, Tetyana E. Konstantinova, and Igor A. Yashchishyn. "Inhibition of Positronium Formation in Yttria Stabilized Zirconia Nanopowders Modified by Addition of Chromia." Materials Science Forum 733 (November 2012): 249–53. http://dx.doi.org/10.4028/www.scientific.net/msf.733.249.

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The effect of chromia additive on defects in yttria stabilized zirconia (YSZ) nanopowders was investigated in this work. It was found that positrons are trapped at vacancy-like misfit defect at grain boundaries and at larger defects situated at triple points. Moreover, a long-lived ortho-positronium contribution was found in YSZ nanopowder without chromia. Addition of chromia prolongs the lifetime of positrons trapped at vacancy-like misfit defects which indicates segregation of Cr ions at grain interfaces and interaction of Cr with vacancy-like misfit defets. Moreover addition of chromia completely suppresses formation of positronium.
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Choudhary, Sudhanshu, and Divya Kaushik. "Understanding the effect of vacancy defects on spin transport in CrO2–graphene–CrO2 magnetic tunnel junction." Modern Physics Letters B 30, no. 09 (April 10, 2016): 1650102. http://dx.doi.org/10.1142/s0217984916501025.

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In this paper, we investigate the effect of vacancy defects on spin transport in graphene-based magnetic tunnel junction (MTJ). An increase in conductance was seen in vacancy-defected MTJ structure which is in contrast to the results reported in past where a decrease in conductance with vacancy was observed for graphene sheets. This increase in conductance may be due to the use of CrO2 half-metallic ferromagnet (HMF) electrodes instead of metallic or ferromagnet (FM) electrodes. Furthermore, high tunnel magnetoresistance (TMR) [Formula: see text]99% and perfect spin filtration was obtained for both vacancy-defected and no-defect (pristine) MTJ structures. The TMR in vacancy-defected structure is seen to decrease by 6.2% and by 13% at bias voltages of 1.2[Formula: see text]V and 1.4[Formula: see text]V, when compared to TMR in no-defect MTJ structure.
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Zhan, Si-Qi, Hui Wan, Liang Xu, Wei-Qing Huang, Gui-Fang Huang, Jin-Ping Long, and P. Peng. "Native vacancy defects in bismuth sulfide." International Journal of Modern Physics B 28, no. 23 (July 13, 2014): 1450150. http://dx.doi.org/10.1142/s0217979214501501.

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Bismuth sulfide ( Bi 2S3) exhibits excellent photocatalytic activity under visible light. We perform first-principles, density-function theory (DFT) calculations of the electronic structure for the Bi 2S3 with native vacancy to facilitate its applications by gaining insight into the role of native defects. We find that the Bi vacancies are effective p-type defects for Bi 2S3, while the S vacancies induce an intermediate level appearing in the band gap. Besides one Bi vacancy, the native vacancy defect at other four inequivalent positions in Bi 2S3 leads to a reduction of band gap. Moreover, the change of band gap depends on the position of native vacancy defect. The results indicate that the native defects are the most likely physical cause for the scattered band gaps obtained by experiments. The influence of native vacancy defects on the photocatalytic properties of Bi 2S3 is also discussed.
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Uedono, Akira, Shoji Ishibashi, Nagayasu Oshima, and Ryoichi Suzuki. "Vacancy-Type Defects in GaN for Power Devices Probed by Positron Annihilation." Defect and Diffusion Forum 373 (March 2017): 183–88. http://dx.doi.org/10.4028/www.scientific.net/ddf.373.183.

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Native defects and ion-implantation induced defects in GaN were studied by means of positron annihilation. Measurements of Doppler broadening spectra of the annihilation radiation for GaN layers grown on Si substrates showed that optically active vacancy-type defects were formed in the layers. Charge transition of the defects due to electron capture occurred when the layers were irradiated by photons with energy above 2.7 eV. It was found that Ti deposition and subsequent annealing introduced vacancy clusters. We also characterized vacancy-type defects in Mg-implanted GaN. The major defect species of vacancies introduced by Mg-implantation was a complex between Ga-vacancy (VGa) and nitrogen vacancies (VNs). After annealing above 1000C, these defects started to agglomerate, and the major defect species became (VGa)2 coupled with VNs. Through this work, we have demonstrated that positron annihilation spectroscopy is a powerful tool for characterizing vacancy-type defects in GaN for power devices applications.
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Chu, Liu, Jiajia Shi, and Shujun Ben. "Buckling Analysis of Vacancy-Defected Graphene Sheets by the Stochastic Finite Element Method." Materials 11, no. 9 (August 27, 2018): 1545. http://dx.doi.org/10.3390/ma11091545.

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Vacancy defects are unavoidable in graphene sheets, and the random distribution of vacancy defects has a significant influence on the mechanical properties of graphene. This leads to a crucial issue in the research on nanomaterials. Previous methods, including the molecular dynamics theory and the continuous medium mechanics, have limitations in solving this problem. In this study, the Monte Carlo-based finite element method, one of the stochastic finite element methods, is proposed and simulated to analyze the buckling behavior of vacancy-defected graphene. The critical buckling stress of vacancy-defected graphene sheets deviated within a certain range. The histogram and regression graphs of the probability density distribution are also presented. Strengthening effects on the mechanical properties by vacancy defects were detected. For high-order buckling modes, the regularity and geometrical symmetry in the displacement of graphene were damaged because of a large amount of randomly dispersed vacancy defects.
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PRASAD, MATUKUMILLI V. D., and BAIDURYA BHATTACHARYA. "MOLECULAR DYNAMICS SIMULATIONS OF CARBON NANOTUBE-BASED OSCILLATORS HAVING TOPOLOGICAL DEFECTS." International Journal of Nanoscience 10, no. 01n02 (February 2011): 355–59. http://dx.doi.org/10.1142/s0219581x11008009.

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Effect of vacancy and Stone–Wales defects on the oscillatory behavior of (5,5)/(10,10) carbon nanotube-based oscillator are studied using NVE molecular dynamics simulations. Results show that defects reduce stability of the oscillators. Effect of single vacancy defect on stability is very small, whereas Stone–Wales defect considerably reduces the stability thereby damping the oscillations quickly. Further increase in density of vacancy defects causes a monotonic decrease of stability of oscillator. In all cases the initial temperature (1 and 300 K) had almost no effect on the oscillation stability.
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Sozykin, Sergey Anatolevich, Valeriy Petrovich Beskachko, and G. P. Vyatkin. "Atomic Structure and Mechanical Properties of Defective Carbon Nanotube (7,7)." Materials Science Forum 843 (February 2016): 78–84. http://dx.doi.org/10.4028/www.scientific.net/msf.843.78.

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The article presents the results of first-principle modeling of a defectless (7,7) carbon nanotube and (7,7) nanotubes containing single and double vacancy defects, as well as Stone–Wales defects. These types of defects are often found in real nanotubes and affect their properties. We have established that reliable results can be obtained by using models of more than 1.5 nm in length. It turned out that a single vacancy defect has the least influence on Young modulus, and double n type vacancy defect in the most influential. The elongation at break also depends on the defect type and is 30-60% less than for perfect tubes.
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Chu, Liu, Jiajia Shi, Eduardo Souza de Cursi, Xunqian Xu, Yazhou Qin, and Hongliang Xiang. "Monte Carlo-Based Finite Element Method for the Study of Randomly Distributed Vacancy Defects in Graphene Sheets." Journal of Nanomaterials 2018 (October 10, 2018): 1–12. http://dx.doi.org/10.1155/2018/3037063.

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This paper proposed an effective stochastic finite element method for the study of randomly distributed vacancy defects in graphene sheets. The honeycomb lattice of graphene is represented by beam finite elements. The simulation results of the pristine graphene are in accordance with literatures. The randomly dispersed vacancies are propagated and performed in graphene by integrating Monte Carlo simulation (MCS) with the beam finite element model (FEM). The results present that the natural frequencies of different vibration modes decrease with the augment of the vacancy defect amount. When the vacancy defect reaches 5%, the regularity and geometrical symmetry of displacement and rotation in vibration behavior are obviously damaged. In addition, with the raise of vacancy defects, the random dispersion position of vacancy defects increases the variance in natural frequencies. The probability density distributions of natural frequencies are close to the Gaussian and Weibull distributions.
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Neupane, Hari Krishna, and Narayan Prasad Adhikari. "Tuning Structural, Electronic, and Magnetic Properties of C Sites Vacancy Defects in Graphene/MoS2 van der Waals Heterostructure Materials: A First-Principles Study." Advances in Condensed Matter Physics 2020 (November 28, 2020): 1–11. http://dx.doi.org/10.1155/2020/8850701.

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In this work, we systematically studied the structure, and electronic and magnetic properties of van der Waals (vdWs) interface Graphene/MoS2 heterostructure (HS-G/MoS2) and C sites vacancy defects in HS-G/MoS2 materials using first-principles calculations. By the structural analysis, we found that nondefects geometry is more compact than defects geometries. To investigate the electronic and magnetic properties of HS-G/MoS2 and C sites vacancy defects in HS-G/MoS2 materials, we have studied band structure, density of states (DOS), and partial density of states (PDOS). By analyzing the results, we found that HS-G/MoS2 is metallic in nature but C sites vacancy defects in HS-G/MoS2 materials have a certain energy bandgap. Also, from the band structure calculations, we found that Fermi energy level shifted towards the conduction band in vacancy defects geometries which reveals that the defected heterostructure is n-type Schottky contacts. From DOS and PDOS analysis, we obtained that the nonmagnetic HS-G/MoS2 material changes to magnetic materials due to the presence of C sites vacancy defects. Right 1C atom vacancy defects (R-1C), left 1C atom vacancy defects (L-1C), centre 1C atom vacancy defects (C-1C), and 2C (1C right and 1C centre) atom vacancy defects in HS-G/MoS2 materials have magnetic moments of −0.75 µB/cell, −0.75 µB/cell, −0.12 µB/cell, and +0.39 µB/cell, respectively. Electrons from 2s and 2p orbitals of C atoms have main contributions for the magnetism in all these materials.
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Li, Ke Jian, and Hong Xia Liu. "Electronic Structures of Vacancy Defective Chiral (6,2) SiC Nanotubes." Materials Science Forum 896 (March 2017): 3–8. http://dx.doi.org/10.4028/www.scientific.net/msf.896.3.

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Vacancy defects are common defects formed in the syntheses of silicon carbide nanotubes (SiCNTs) and seriously impact the electronic structures of the nanotubes. With first-principle calculations based on density functional theory (DFT), vacancy defective (6,2) SiCNTs are studied. Vacancies form a pair of fivefold and ninefold rings. Carbon vacancy introduces an occupied defect level near the top of the valence band and an unoccupied level in the conduction band. Three defect levels are found in the band gap of the SiCNT with a silicon vacancy. These results are helpful for investigations on SiCNT devices and sensors.
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Dissertations / Theses on the topic "Vacancy defects"

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Mui, Wing-ki, and 梅詠琪. "Studies of Ga vacancy related defects in GaSb." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2002. http://hub.hku.hk/bib/B31226541.

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Ma, Shun-kit Martin. "The two gallium vacancy-related defects in undoped gallium antimonide." Click to view the E-thesis via HKUTO, 2004. http://sunzi.lib.hku.hk/hkuto/record/B31319658.

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Ma, Shun-kit Martin, and 馬信傑. "The two gallium vacancy-related defects in undoped gallium antimonide." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2004. http://hub.hku.hk/bib/B31319658.

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Al-Abdulmalik, Dana A. "Evolution of vacancy-type defects in semiconductors : a positron annihilation study." Thesis, University of Bath, 2007. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.442881.

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CORONEL, SANCHEZ Edwin Danelli. "Optically detected magnetic resonance in nanodiamonds with single nitrogen-vacancy defects." Universidade Federal de Pernambuco, 2016. https://repositorio.ufpe.br/handle/123456789/24441.

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Submitted by Alice Araujo (alice.caraujo@ufpe.br) on 2018-04-23T23:42:59Z No. of bitstreams: 1 DISSERTAÇÃO Edwin Danelle Coronel Sanches.pdf: 7893948 bytes, checksum: 06bf9f839c5aed283d85a7cffdc4f1a9 (MD5)
Made available in DSpace on 2018-04-23T23:42:59Z (GMT). No. of bitstreams: 1 DISSERTAÇÃO Edwin Danelle Coronel Sanches.pdf: 7893948 bytes, checksum: 06bf9f839c5aed283d85a7cffdc4f1a9 (MD5) Previous issue date: 2016-04-28
FACEPE
The control of the radiation-matter interaction, in our case of photons with quan- tum single emitters, as the nitrogen-vacancy (NV) defect in nanodiamonds, is crucial in the process of nano-devices fabrication. This is achieved taking advantage of the latest advances of the nano-optics to increase the interaction with single emitters for which ade-quate tools for precise interaction control has been developed. In this dissertation, we use a home-made inverted optical confocal microscope and coherent manipulation of spin states to study single NV defect in nanodiamonds. The NV defect in nanodiamonds presents optical properties that depend on the spin state of its optically active electrons, which makes them interesting for applications in nanomagnetometry, quantum informa- tion processing and nanobiothermometry. In particular, the negatively charged NV defect (NV-) exhibits single photon emission and long coherence times even at room tempera- ture. Furthermore, it has a paramagnetic ground state and can be optically polarized and read out, in an experimental technique known as Optically Detected Magnetic Resonance (ODMR). In this technique, the intensity of the fluorescence emitted by a nanodiamond depends on the spin configuration of the electronic ground state, from which an electronic transition is excited. In order to study these defects, nanodiamonds were deposited on a photolitographically structured antenna on a coverslip by spin coating and placed on the microscope. The microscope allows to both, the detection of the fluorescence and its exci- tation, by a CW laser emitting at 532 nm. The fluorescence emitted by the nanodiamond is centered around 650 nm with a zero phonon line at 637 nm. The collected fluores¬cence is sent to two avalanche photodiodes (APDs), that are in a configuration known as Hanbury-Brown and Twiss (HBT) interferometer. In it, we can verify whether the col- lected emission comes from an individual emitter, analyzing the second order correlation function g(2)(r): if g(2)(r) < 0.5 we have an emission from single photons generated by a single NV- defect in diamond. Working whit single emitter we could radiate a microwave field over the nanodiamond, which allows us to determine the resonance frequency for spin transitions in the ground state. At resonance one observes a drop in the fluorescence emitted by the nanodiamond. We explore the fact that the resonance frequency of the spin transition depends on the local magnetic field to measure the Zeeman effect gener- ated by the magnetic field of a permanent magnet (NdFeB). Finally, we realized coherent manipulation via an appropriate sequence of pulses of microwave and laser, observing Rabi oscillations. Thus, we can measure the inhomogeneous coherence time (T2*) given by the damping of Rabi oscillations.
O controle da interação radiação-matéria, em nosso caso de fotons com emissores quânticos individuais, como os defeitos de nitrogenio-vacancia (NV) em nanodiamantes, e crucial no processo da fabricacao de nano-dispositivos. Isto e conseguido aproveitando-se os ultimos avanços em nano-óptica para aumentar a interacao com emissores unicos, para os quais ferramentas adequadas para o controle preciso da interacao foi desenvolvido. Nesta dissertacao, descreveremos o uso de um microscopio confocal invertido e mani- pulacao coerente dos estados de spin de um defeito individual NV num nanodiamante. Os defeitos NV em nanodiamantes apresentam propriedades opticas que dependem do estado de spin dos seus eletrons opticamente ativos, o que os tornam interessantes para aplicacoes em nanomagnetometria, processamento de informaçao quantica e nanobioter- mometria. Em particular, defeitos NV negativamente carregados (NV-) exibem emissao de fótons unicos e longos tempos de coerência, mesmo a temperatura ambiente. Alem disso, tem um estado fundamental paramagnetico e o sistema pode ser opticamente pola¬rizado e lido, usando-se uma técnica experimental conhecida como Ressonância Magnetica Detectada Opticamente (ODMR). Nesta técnica, a intensidade de fluorescencia emitida pelo nanodiamante depende da configuracao de spin do estado eletrónico fundamental, a partir do qual a transicao eletrónica e excitada. Para estudar esses defeitos NV, nan- odiamantes foram depositados ao longo de uma antena, fotolitograficamente estruturada sobre um coverslip, usando spin coating e colocados sobre o microscopio. O microscopio permite a detecçao da fluorescencia do defeito e sua excitacao e feita por um laser CW emitindo em 532 nm. A fluorescencia emitida pelo nanodiamante ocorre em torno dos 650 nm com uma linha zero fonon em 637 nm. A fluo-rescencia coletada e enviada a dois foto-diodos de avalanche, que estao em configuraçao interferometrica do tipo Hanbury-Brown and Twiss (HBT). Nela, podemos garantir se a emissao coletada provem de um emissor individual, analisando a funcão de correlacão de segunda ordem (T): se g(2)(r) < 0, 5 comprovamos a emissão de fotons ónicos por um unico defeito NV- no nanodiamante. Trabalhamos entãao com um unico defeito NV- como emissor. Irradiando um campo de microondas sobre o nanodiamante, nos permite determinar a frequência de ressonância com a transicao de spin no estado fundamental, evidenciado por uma diminuto da flu- orescencia emitida pelo nanodiamante. Usamos o fato de que a frequencia de ressonancia da transiçao do spin depende do campo magnetico local para observar o efeito Zeeman gerado pelo campo magnetico de um ima (Nd-Fe-B). Finalmente, realizamos manipulacao coerente atraves de uma adequada sequencia de pulsos de microondas e laser, observando oscilações de Rabi. Assim, pudemos medir o tempo de coerência inhomogeneo (T2*) dado pelo amortecimento das oscilacões de Rabi.
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Chen, Haiyan. "Probing Defects and Electronic Processes on Gadolinia-doped Ceria Surfaces Using Electron Stimulated Desorption." Diss., Georgia Institute of Technology, 2006. http://hdl.handle.net/1853/10427.

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Probing Defects and Electronic Processes on Gadolinia-doped Ceria Surfaces Using Electron Stimulated Desorption Haiyan Chen 133 Pages Directed by Professor Thomas M. Orlando Polycrystalline gadolinia-doped ceria (GDC) has been widely investigated as a promising low temperature solid oxide fuel cell (SOFC) electrolyte and as part of composite electrodes. In this thesis, electron stimulated desorption (ESD) has been used to probe the defect related electronic properties of GDC surfaces and the interactions of water and molecular oxygen with these surfaces. In particular, the electron irradiation induced surface charging of GDC has been found to be dependent on the incident electron energy: negative at lower energy and positive at higher energy. Trapping of electrons and holes by the gadolinium aggregated, oxygen vacancy rich grain boundaries has been considered as the origin of surface charging. Depending on the sample treatment, there can be various defects, hydroxyl groups, chemically adsorbed water molecules, or water dimers on GDC surfaces. Water and molecular oxygen interact primarily with defect sites. Systematic investigations of electron stimulated O+ desorption have yielded activation energies relevant to oxygen vacancy production on ceria surfaces, and to surface positive charge dissipation related to ionic conduction of GDC. Highly efficient electron stimulated O+ desorption from GDC surfaces has been attributed to the lowered charge density on oxygen ions coordinated with oxygen vacancy clusters and thus may be used as a probe for surface defect types. Electron stimulated desorption of O2+ from GDC surfaces during molecular oxygen adsorption has shown the ability of ESD to detect chemically adsorbed O2. The velocity distributions of O2+ can be used to probe intermediate adsorption species such as O2, as well as the positive charge of the surface. Overall, this thesis has demonstrated that ESD can provide important information on the kinetics and dynamics of surface charging, charge transport, adsorption and reactions occurring at defective insulating metal oxides materials. The abilities to probe the defects and their roles in surface processes make ESD a valuable technique for surface chemistry and catalysis studies.
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Persson, Gulda Maria Christina Margareta. "Defects in Hard-Sphere Colloidal Crystals." Thesis, Harvard University, 2012. http://dissertations.umi.com/gsas.harvard:10695.

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Colloidal crystals of \(1.55 \mu m\) diameter silica particles were grown on {100} and flat templates by sedimentation and centrifugation. The particles interact as hard spheres. The vacancies and divacancies in these crystals are not in equilibrium, since no movement of single vacancies is observed. The lack of mobility is consistent with the extrapolation of earlier simulations at lower densities. The volume of relaxation of the vacancy has a plausible value for these densities as the volume of formation is approaching the volume in a close-packed crystal. The volume of relaxation for the divacancy is smaller than that of two vacancies, so that the association of two vacancies into a divacancy requires extra volume, and hence extra entropy. The mean square displacement of the nearest neighbors of the vacancies is an order of magnitude larger than that of the nearest neighbors of particles. The mobility of the divacancies is consistent with the extrapolation of older simulations and is similar to that associated with the annihilation of the vacancy-interstitial pair. The volume of motion of the divacancies is \(\Delta V_m = 0.19V_o (V_o\): close-packed volume) and the entropy of motion is \(\Delta S_m = 0.49k_BT\). Dislocation-twin boundary interactions can be observed by introducing strain via a misfit template. The dislocations formed are Shockley partials. When a dislocation goes through the boundary, two more dislocations are created: a reflected dislocation and one left at the boundary, both with the same magnitude Burgers vector. The dislocations relieve a total of about a third of the misfit strain. The remaining strain is sufficiently large to move the dislocation up to the boundary and close to sufficient to move the dislocation through the boundary. A small amount to extra strain energy is needed to cause nucleation of the two additional dislocations after a waiting time.
Engineering and Applied Sciences
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Fuchs, Franziska [Verfasser], and Vladimir [Gutachter] Dyakonov. "Optical spectroscopy on silicon vacancy defects in silicon carbide / Franziska Fuchs. Gutachter: Vladimir Dyakonov." Würzburg : Universität Würzburg, 2016. http://d-nb.info/1112040560/34.

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Lopez, Nicolas A. "All-optical method of nanoscale magnetometry for ensembles of nitrogen-vacancy defects in diamond." Thesis, Massachusetts Institute of Technology, 2015. http://hdl.handle.net/1721.1/103712.

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Thesis: S.B., Massachusetts Institute of Technology, Department of Nuclear Science and Engineering, 2015.
Cataloged from PDF version of thesis.
Includes bibliographical references (pages 61-65).
The Nitrogen-Vacancy (NV) defect in diamond has shown considerable promise in the field of small scale magnetometry due to its high localization and retention of favorable optical properties at ambient conditions. Current methods of magnetometry with the NV center achieve high sensitivity to fields aligned with the defect axis; however, with most present methods transverse fields are not directly measurable. The all-optical method of NV magnetometry provides a means to detect transverse fields by monitoring changes in the overall fluorescence profile. In this work the all-optical method is extended to ensembles of non-interacting NV centers. By establishing an external bias field aligned with the (1, 1, 1) axis, the magnitude of an unknown transverse field can be unambiguously identified through the measurement of the signal curvature. The angular orientation can be determined up to a two-fold degeneracy by observing the change in signal curvature produced when the bias field is shifted off-axis. The magnetometry method explored in this thesis thus provides good sensitivity to transverse fields, while reducing to a minimum the experimental apparatus required to operate the magnetometer.
by Nicolas A. Lopez.
S.B.
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Caulfield, John Christopher. "Transition-metal dichalcogenides and the scanning tunnelling microscope : the creation and imaging of vacancy defects." Thesis, University College London (University of London), 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.286294.

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Book chapters on the topic "Vacancy defects"

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Tetlow, Holly Alexandra. "Removing Defects: Healing Single Vacancy Defects." In Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface, 143–60. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-65972-5_7.

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Kawasuso, A., M. Weidner, F. Redmann, T. Frank, P. Sperr, G. Kögel, M. Yoshikawa, et al. "Vacancy Defects Detected by Positron Annihilation." In Silicon Carbide, 563–84. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/978-3-642-18870-1_23.

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Veblen, David R. "Extended Defects and Vacancy Non-Stoichiometry in Rock-Forming Minerals." In Point Defects in Minerals, 122–31. Washington, D. C.: American Geophysical Union, 2013. http://dx.doi.org/10.1029/gm031p0122.

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Collins, Gary S., Hwa-Jae Jang, and Steven Shropshire. "Hydrogen Decoration of Vacancy Defects in Platinum." In Nuclear Physics Applications on Materials Science, 415–16. Dordrecht: Springer Netherlands, 1988. http://dx.doi.org/10.1007/978-94-009-2800-8_28.

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Fowler, W. Beall, Jayanta K. Rudra, Arthur H. Edwards, and Frank J. Feigl. "Theory of Oxygen-Vacancy Defects in Silicon Dioxide." In The Physics and Technology of Amorphous SiO2, 107–12. Boston, MA: Springer US, 1988. http://dx.doi.org/10.1007/978-1-4613-1031-0_12.

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Pacchioni, Gianfranco. "Numerical Simulations of Defective Structures: The Nature of Oxygen Vacancy in Non-reducible (MgO, SiO2, ZrO2) and Reducible (TiO2, NiO, WO3) Oxides." In Defects at Oxide Surfaces, 1–28. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-14367-5_1.

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Janczarek, Marcin, Maya Endo-Kimura, Tharishinny Raja-Mogan, and Ewa Kowalska. "The Role of Oxygen Vacancy and Other Defects for Activity Enhancement." In Green Chemistry and Sustainable Technology, 337–55. Cham: Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-77371-7_12.

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HENDERSON, T. M., J. C. GREER, G. BERSUKER, A. KORKIN, and R. J. BARTLETT. "EFFECT OF CHEMICAL ENVIRONMENT AND STRAIN ON OXYGEN VACANCY FORMATION ENERGIES AT SILICONSILICON OXIDE INTERFACES." In Defects in High-k Gate Dielectric Stacks, 373–83. Dordrecht: Springer Netherlands, 2006. http://dx.doi.org/10.1007/1-4020-4367-8_30.

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Barthe, Marie France, L. Henry, S. Arpiainen, and G. Blondiaux. "Electron Irradiation Induced Vacancy Defects Detected by Positron Annihilation in 6H-SiC." In Materials Science Forum, 473–76. Stafa: Trans Tech Publications Ltd., 2005. http://dx.doi.org/10.4028/0-87849-963-6.473.

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Boonchun, Adisak, and Walter R. L. Lambrecht. "Critical Evaluation of the LDA + U Approach for Band Gap Corrections in Point Defect Calculations: The Oxygen Vacancy in ZnO Case Study." In Advanced Calculations for Defects in Materials, 165–81. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2011. http://dx.doi.org/10.1002/9783527638529.ch10.

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Conference papers on the topic "Vacancy defects"

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Lin, Pandong, Junfeng Nie, and Meidan Liu. "Point Defect Effects on Tensile Strength of BCC-Fe Studied by Molecular Dynamics." In 2020 International Conference on Nuclear Engineering collocated with the ASME 2020 Power Conference. American Society of Mechanical Engineers, 2020. http://dx.doi.org/10.1115/icone2020-16162.

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Abstract BCC-Fe is the critical and major component of the reactor pressure vessel (RPV) steel. With long-tern neutron irradiation, many point defects can be obtained in RPV steel. In this paper, the points defects (interstitial, vacancy and Frenkel pair) effects on the tensile strength of Fe are studied by molecular dynamics simulations at 300K. The uni-axial tensile load is along [001] direction of the Fe samples loading in constant strain rate. The Fe atoms are added or removed randomly to generate point defects. For point defects, three types of point defects can decrease the tensile strength containing yield stress and strain of Fe samples. In addition, the tensile strength decreases with the increase of point defect concentration. With the same defect concentration, interstitials decrease the yield stress the most seriously compared with the vacancies and Frenkel pairs. Apart from that, the morphology and evolution of the microstructure of Fe with point defects are also investigated under tension. Compared with the perfect crystal, the generation of dislocation decreases the tensile strength dramatically. For sample with interstitials, interstitial clusters form and evolve in dislocations loops finally. For sample with vacancis, vacancy may aggregate together and vacancy clusters form as a result, which is seen as precursors of dislocation loop. Notably, the results are meaningful to understand the effects of point defects on tensile strength of BCC-Fe.
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Cai, Zhuangli, Zuolin Liu, Bin Yang, Min Yang, and Shangchao Lin. "Diffusion-Mediated Anharmonic Phonon Transport and Thermal Conductivity Reduction in Defective Hybrid Perovskites." In ASME 2021 Heat Transfer Summer Conference collocated with the ASME 2021 15th International Conference on Energy Sustainability. American Society of Mechanical Engineers, 2021. http://dx.doi.org/10.1115/ht2021-62601.

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Abstract Hybrid metal halide perovskite is a promising material for efficient photovoltaic cells and potential thermoelectric energy conversion. This paper investigates phonon thermal transport in iodine-vacancy-defect methylammonium lead iodide (MAPbI3) perovskite using molecular dynamics simulations. The results show that the iodine vacancy defects suppress the thermal conductivity of defective MAPbI3. This effect is enhanced with increasing the defect concentration. The reduction of thermal conductivity of MAPbI3 with iodine vacancy defects compared with the pristine counterpart is mainly attributed to the enhanced phonon anharmonicity and shorter phonon relaxation time due to the phonon-defect scattering. Although iodine diffusion is observed in MAPbI3 with iodine vacancy defects, defect migration has a limited impact on mass-transfer induced convective phonon transport, while it is a source of phonon anharmonicity. This study may provide guidance for theoretical research and industrial application of as-synthesized metal halide perovskites with intrinsic defects.
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Korhonen, E., F. Tuomisto, O. Bierwagen, J. S. Speck, M. E. White, and Z. Galazka. "Vacancy complexes in Sb-doped SnO2." In INTERNATIONAL CONFERENCE ON DEFECTS IN SEMICONDUCTORS 2013: Proceedings of the 27th International Conference on Defects in Semiconductors, ICDS-2013. AIP Publishing LLC, 2014. http://dx.doi.org/10.1063/1.4865672.

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Bifano, Michael F. P., Jungkyu Park, and Vikas Prakash. "Sensitivity of Thermal Conductivity of Carbon Nanotubes to Defect Concentrations and Heat-Treatment." In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-89625.

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In the present study, classical MD simulations using reverse non-equilibrium molecular dynamics with the AIREBO interatomic potential are used to investigate the sensitivity of thermal conductivity in SWCNTs to side-wall defect concentration and heat-treatment. Two types of defects are investigated. First, the thermal conductivity of (6,6) SWCNTs is obtained as a function of concentration of chemisorbed hydrogen adatoms. Secondly, the thermal conductivity is obtained as a function of point-vacancy concentrations. The results of the studies show that 2 atom% of hydrogenation and 1.5–2% vacancy concentrations have very similar detrimental effects on the thermal conductivity of SWCNT. Vacancy repair is evident with heat treatment, and heat-treatments at 3000°C for up to 22 ns are found to transform point vacancies into various types of non-hexagonal side-wall defects; this vacancy repair is accompanied by a ca. 10% increase in thermal conductivity. Thermal conductivity measurements in both heat-treated and non-heat treated chemical vapor deposition grown MWCNTs are also reviewed. The results suggest that CNT thermal conductivity can be drastically increased if measures are taken to remove common defects from the SWCNT side-walls.
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Abiona, Adurafimihan A., Williams Kemp, and Heiko Timmers. "Pd-vacancy complex in Ge: TDPAC and ab initio study." In INTERNATIONAL CONFERENCE ON DEFECTS IN SEMICONDUCTORS 2013: Proceedings of the 27th International Conference on Defects in Semiconductors, ICDS-2013. AIP Publishing LLC, 2014. http://dx.doi.org/10.1063/1.4865614.

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Parashar, Madhur, Dasika Shishir, Alok Gokhale, Anuj Bathla, Sharba Bandyopadhyay, and Kasturi Saha. "Dynamic-Widefield-Magnetometry using Nitrogen-Vacancy Defects in Diamond." In CLEO: Applications and Technology. Washington, D.C.: OSA, 2021. http://dx.doi.org/10.1364/cleo_at.2021.jw1a.115.

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Son, N. T., J. Isoya, I. G. Ivanov, T. Ohshima, and E. Janzén. "Hydrogen at zinc vacancy of ZnO: An EPR and ESEEM study." In INTERNATIONAL CONFERENCE ON DEFECTS IN SEMICONDUCTORS 2013: Proceedings of the 27th International Conference on Defects in Semiconductors, ICDS-2013. AIP Publishing LLC, 2014. http://dx.doi.org/10.1063/1.4865666.

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Resnick, Alex, Katherine Mitchell, Jungkyu Park, Hannah Maier, Eduardo B. Farfán, Tien Yee, and Christian Velasquez. "Thermal Transport in Defective Actinide Oxides." In ASME 2018 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/imece2018-87605.

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The present study employs a molecular dynamics simulation to explore thermal transport in various oxide nuclear fuels with defects such as uranium oxide and plutonium oxide. In particular, the effect of vacancy and substitutional defects on the thermal transport in actinide oxides are investigated. It is found that the thermal conductivities of these oxide nuclear fuels are significantly reduced by the presence of vacancy defects. In spite of their small size, oxygen vacancy is shown to alter the thermal conductivity of oxide fuels greatly; 0.1% oxygen vacancy reduces the thermal conductivity of plutonium dioxide by more than 10% when the number of unit cell in length is 100. It was shown that the missing of larger atoms alters the thermal conductivity of actinide oxides more significantly. For the case of uranium dioxide, 0.1% uranium vacancies decrease the thermal conductivity by 24.6% while the same concentration of oxygen vacancies decreases the thermal conductivity of uranium dioxide by 19.4%. However, the uranium substitutional defects are shown to have a minimal effect on the thermal conductivity of plutonium dioxide because of the small change in the atomic mass.
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Yao, Hong, Ryan Katona, Jianren Zhou, Md I. Islam, Jonathan Raush, Fengyuan Lu, and Shengmin Guo. "Defects Evaluation of Selective Laser Melting Stainless Steel 316 Parts Using Positron Annihilation Lifetime Measurement." In ASME 2018 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/imece2018-86729.

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Alloy parts fabricated by the selected laser melting (SLM) additive manufacturing process generally contain many defects. Non-destructive Positron Annihilation Lifetime Spectroscopy (PALS) measurements were applied to evaluate these defects. The two-component positron lifetime method was used to analyze the evolution of two types of defects, mono-vacancy and vacancy cluster. Stainless steel 316 SLM samples were prepared using two sets of SLM processing parameters. For SLM samples, the temperature effect of heat treatment was examined by PALS. The effect of plastic deformation is also examined using PALS.
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Ulbricht, Ronald, Shuo Dong, Julian Schwartz, Hyeon-Deuk Kim, Yoshitaka Tanimura, Bala Murali Krishna Mariserla, Keshav M. Dani, and Zhi-Heng Loh. "Ultrafast Photo-Excitation Dynamics of Nitrogen-Vacancy Defects in Diamond." In CLEO: QELS_Fundamental Science. Washington, D.C.: OSA, 2015. http://dx.doi.org/10.1364/cleo_qels.2015.ftu4b.7.

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Reports on the topic "Vacancy defects"

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Krishnan, A., D. J. Keeble, R. Ramesh, W. L. Warren, B. A. Tuttle, R. L. Pfeffer, B. Nielsen, and K. G. Lynn. Vacancy related defects in thin film Pb(ZrTi)O{sub 3} materials. Office of Scientific and Technical Information (OSTI), December 1994. http://dx.doi.org/10.2172/10121170.

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Chen, Y. (Prospect for wavelength tunable lasers based on vacancy defects in alkaline-earth oxides). Office of Scientific and Technical Information (OSTI), October 1989. http://dx.doi.org/10.2172/5418910.

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