Relevant bibliographies by topics / Theory of materials

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

Academic literature on the topic 'Theory of materials'

Author: Grafiati
Published: 4 June 2021
Last updated: 3 February 2022

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Journal articles on the topic "Theory of materials"

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Araújo Mota, C. A., C. J. Araújo, A. G. Barbosa de Lima, Tony Herbert Freire de Andrade, and D. Silveira Lira. "Smart Materials - Theory and Applications." Diffusion Foundations 14 (December 2017): 107–27. http://dx.doi.org/10.4028/www.scientific.net/df.14.107.

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Smart materials are a class of materials characterized by having a different behavior due to external stimulation, which can be mechanic, thermal, electric, or magnetic. This chapter approaches the different types of smart materials and their classification according to the material’s nature (fluid, ceramic, polymeric and metallic). Emphasis is given to the theoretical study of the metallic materials with shape memory, presenting the fundamentals, crystallographic study and the mathematical methods of phase transformation. Due to these metallic material’s unique features, shape memory effect and super elasticity, the usage in the production of composite structures has gained space. Such materials present several advantages if compared to traditional composites being subject of research for several industrial applications
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Cohen, Marvin L. "Novel materials from theory." Nature 338, no. 6213 (March 1989): 291–92. http://dx.doi.org/10.1038/338291a0.

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Harker, A. H. "Quantum theory of materials." Contemporary Physics 60, no. 4 (October 2, 2019): 321–22. http://dx.doi.org/10.1080/00107514.2019.1684369.

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Chelikowsky, James R., Efthimios Kaxiras, and Renata M. Wentzcovitch. "Theory of spintronic materials." physica status solidi (b) 243, no. 9 (July 2006): 2133–50. http://dx.doi.org/10.1002/pssb.200666817.

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Moss, Steve. "The Big Bang materials theory." MRS Bulletin 44, no. 7 (July 2019): 591–92. http://dx.doi.org/10.1557/mrs.2019.174.

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Pettifor, D. G. "Electron theory in materials modeling." Acta Materialia 51, no. 19 (November 2003): 5649–73. http://dx.doi.org/10.1016/s1359-6454(03)00466-x.

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Laws, N. "Composite Materials: Theory vs. Experiment." Journal of Composite Materials 22, no. 5 (May 1988): 396–400. http://dx.doi.org/10.1177/002199838802200501.

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Cohen, Marvin L. "The Theory of Real Materials." Annual Review of Materials Science 30, no. 1 (August 2000): 1–26. http://dx.doi.org/10.1146/annurev.matsci.30.1.1.

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Gao, Huajian. "The Theory of Materials Failure." Materials Today 17, no. 2 (March 2014): 94–95. http://dx.doi.org/10.1016/j.mattod.2014.01.016.

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EHRENREICH, H. "Electronic Theory for Materials Science." Science 235, no. 4792 (February 27, 1987): 1029–35. http://dx.doi.org/10.1126/science.235.4792.1029.

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Dissertations / Theses on the topic "Theory of materials"

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Taga, Adrian. "Materials Engineering Using Density Functional Theory." Doctoral thesis, KTH, Materials Science and Engineering, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-3809.

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This doctoral thesis presents density functionalcalculations applied in several domains of interest in solidstate physics and materials science. Non-collinear magnetismhas been studied both in an artificial multi-layer structure,which could have technological relevance as a magnetic sensordevice, and as excitations in 3d ferromagnets. The intricatebulk crystal structure of γ-alumina has been investigated.An improved embedded cluster method is developed and applied tostudy the geometric and electronic structures and opticalabsorption energies of neutral and positively charged oxygenvacancies in α-quartz. Ab initio total energycalculations, based on the EMTO theory, have been used todetermine the elastic properties of Al1-xLixrandom alloys in the face-centered cubiccrystallographic phase. The obtained overall good agreementwith experiment demonstrates the applicability of the quantummechanics formulated within the framework of the DensityFunctional Theory for mapping the structural and mechanicalproperties of random alloys against chemical composition.

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Kocevski, Vancho. "Theory and Modelling of Functional Materials." Doctoral thesis, Uppsala universitet, Materialteori, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-248513.

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The diverse field of material research has been steadily expanding with a great help from computational physics, especially in the investigation of the fundamental properties of materials. This has driven the computational physics to become one of the main branches of physics, allowing for density functional theory (DFT) to develop as one of the cornerstones of material research. Nowdays, DFT is the method of choice in a great variety of studies, from fundamental properties, to materials modelling and searching for new materials. In this thesis, DFT is employed for the study of a small part of this vast pool of applications. Specifically, the microscopic characteristics of Zn1-xCdxS alloys are studied by looking into the evolution of the local structure. In addition, the way to model the growth of graphene on Fe(110) surface is discussed. The structural stability of silicon nanocrystals with various shapes is analysed in detail, as well. DFT is further used in studying different properties of semiconductor nanocrystals. The size evolution of the character of the band gap in silicon nanocrystals is investigated in terms of changes in the character of the states around the band gap. The influence of various surface impurities on the band gap, as well as on the electronic and optical properties of silicon nanocrystals is further studied. In addition, the future use of silicon nanocrystals in photovoltaic devices is examined by studying the band alignment and the charge densities of silicon nanocrystals embedded in a silicon carbide matrix. Furthermore, the electronic and optical properties of different semiconductor nanocrystals is also investigated. In the case of the CdSe/CdS and CdS/ZnS core-shell nanocrystals the influence of the nanocrystal size and different structural models on their properties is analysed. For silicon nanocrystal capped with organic ligands, the changes in the optical properties and lifetimes is thoroughly examined with changes in the type of organic ligand.
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Prasai, Binay K. "Theory and Experiment of Chalcogenide Materials." Ohio University / OhioLINK, 2013. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1374002400.

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Osorio, Guillén Jorge Mario. "Density Functional Theory in Computational Materials Science." Doctoral thesis, Uppsala University, Department of Physics, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-4496.

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The present thesis is concerned to the application of first-principles self-consistent total-energy calculations within the density functional theory on different topics in materials science.

Crystallographic phase-transitions under high-pressure has been study for TiO2, FeI2, Fe3O4, Ti, the heavy alkali metals Cs and Rb, and C3N4. A new high-pressure polymorph of TiO2 has been discovered, this new polymorph has an orthorhombic OI (Pbca) crystal structure, which is predicted theoretically for the pressure range 50 to 100 GPa. Also, the crystal structures of Cs and Rb metals have been studied under high compressions. Our results confirm the recent high-pressure experimental observations of new complex crystal structures for the Cs-III and Rb-III phases. Thus, it is now certain that the famous isostructural phase transition in Cs is rather a new crystallographic phase transition.

The elastic properties of the new superconductor MgB2 and Al-doped MgB2 have been investigated. Values of all independent elastic constants (c11, c12, c13, c33, and c55) as well as bulk moduli in the a and c directions (Ba and Bc respectively) are predicted. Our analysis suggests that the high anisotropy of the calculated elastic moduli is a strong indication that MgB2 should be rather brittle. Al doping decreases the elastic anisotropy of MgB2 in the a and c directions, but, it will not change the brittle behaviour of the material considerably.

The three most relevant battery properties, namely average voltage, energy density and specific energy, as well as the electronic structure of the Li/LixMPO4 systems, where M is either Fe, Mn, or Co have been calculated. The mixing between Fe and Mn in these materials is also examined. Our calculated values for these properties are in good agreement with recent experimental values. Further insight is gained from the electronic density of states of these materials, through which conclusions about the physical properties of the various phases are made.

The electronic and magnetic properties of the dilute magnetic semiconductor Mn-doped ZnO has been calculated. We have found that for an Mn concentration of 5.6%, the ferromagnetic configuration is energetically stable in comparison to the antiferromgnetic one. A half-metallic electronic structure is calculated by the GGA approximation, where Mn ions are in a divalent state leading to a total magnetic moment of 5 μB per Mn atom.

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Osorio, Guillén Jorge Mario. "Density functional theory in computational materials science /." Uppsala : Acta Universitatis Upsaliensis : Univ.-bibl. [distributör], 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-4496.

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Conroy, Michael W. "Density Functional Theory Studies of Energetic Materials." Scholar Commons, 2009. http://scholarcommons.usf.edu/etd/3691.

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First-principles calculations employing density functional theory (DFT) were performed on the energetic materials PETN, HMX, RDX, nitromethane, and a recently discovered material, nitrate ester 1 (NEST-1). The aims of the study were to accurately predict the isothermal equation of state for each material, improve the description of these molecular crystals in DFT by introducing a correction for dispersion interactions, and perform uniaxial compressions to investigate physical properties that might contribute to anisotropic sensitivity. For each system, hydrostatic-compression simulations were performed. Important properties calculated from the simulations such as the equilibrium structure, isothermal equation of state, and bulk moduli were compared with available experimental data to assess the agreement of the calculation method. The largest contribution to the error was believed to be caused by a poor description of van der Waals (vdW) interactions within the DFT formalism. An empirical van der Waals correction to DFT was added to VASP to increase agreement with experiment. The average agreement of the calculated unit-cell volumes for six energetic crystals improved from approximately 9% to 2%, and the isothermal EOS showed improvement for PETN, HMX, RDX, and nitromethane. A comparison was made between DFT results with and without the vdW correction to identify possible advantages and limitations.  Uniaxial compressions perpendicular to seven low-index crystallographic planes were performed on PETN, HMX, RDX, nitromethane, and NEST-1. The principal stresses, shear stresses, and band gaps for each direction were compared with available experimental information on shock-induced sensitivity to determine possible correlations between physical properties and sensitivity. The results for PETN, the only system for which the anisotropic sensitivity has been thoroughly investigated by experiment, indicated a possible correlation between maximum shear stress and sensitivity. The uniaxial compressions that corresponded to the greatest maximum shear stresses in HMX, RDX, solid nitromethane, and NEST-1 were identified and predicted as directions with possibly greater sensitivity. Experimental data is anticipated for comparison with the predictions.
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Woods, Matthew. "Relativistic theory of photoemission for magnetic materials." Thesis, Keele University, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.325858.

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Tsamados, Michel. "Mechanical response of glassy materials : theory and simulation." Phd thesis, Université Claude Bernard - Lyon I, 2009. http://tel.archives-ouvertes.fr/tel-00466081.

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Il est bien établi que les propriétés mécaniques et rhéologiques d'une large classe de matériaux vitreux amorphes met en jeu - contrairement aux dislocations dans les cristaux - des rearrangements structuraux localisés formant par un processus de cascade des bandes de cisaillements. Cette localisation de la déformation est observée dans divers systèmes vitreux ainsi que dans des simulations numériques. Cette réponse mécanique complexe reste mal comprise à une échelle microscopique et il n'est pas clair si l'écoulement plastique peut être associé à une origine structurale locale ou à des processus purement dynamiques.Dans cette thèse nous envisageons ces problématiques à l'aide de simulations atomiques athermales sur un système Lennard-Jones modèle. Nous calculons le tenseur élastique moyenné localement sur une échelle nanométrique. A cette échelle, le verre est assimilable à un matériau composite comprenant un échafaudage rigide et des zones fragiles. L'étude détaillée de la déformation plastique à différents taux de cisaillement met en évidence divers régimes d'écoulement. En dessous d'un taux de cisaillement critique dépendant de la taille du système, la réponse mécanique atteind une limite quasistatique (effets de taille fini, cascades d'événements plastiques, contrainte seuil) alors que pour des taux de cisaillement plus importants les propriétés rhéologiques sont fixées par le taux de cisaillement imposé. Dans ce régime nous mettons en évidence la croissance d'une longueur de coopérativité dynamique et discutons de sa dépendance avec le taux de cisaillements.
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Iusan, Diana Mihaela. "Density Functional Theory Applied to Materials for Spintronics." Doctoral thesis, Uppsala universitet, Materialteori, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-119887.

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The properties of dilute magnetic semiconductors have been studied by combined ab initio, Monte Carlo, and experimental techniques. This class of materials could be very important for future spintronic devices, that offer enriched functionality by making use of both the spin and the charge of the electrons. The main part of the thesis concerns the transition metal doped ZnO. The role of defects on the magnetic interactions in Mn-doped ZnO was investigated. In the presence of acceptor defects such as zinc vacancies and oxygen substitution by nitrogen, the magnetic interactions are ferromagnetic. For dilute concentrations of Mn (~ 5%) the ordering temperature of the system is low, due to the short ranged character of the exchange interactions and disorder effects. The clustering tendency of the Co atoms in a ZnO matrix was also studied. The electronic structure, and in turn the magnetic interactions among the Co atoms, is strongly dependent on the exchange-correlation functional used. It is found that Co impurities tend to form nanoclusters and that the interactions among these atoms are antiferromagnetic within the local spin density approximation + Hubbard U approach. The electronic structure, as well as the chemical and magnetic interactions in Co and (Co,Al)-doped ZnO, was investigated by joined experimental and theoretical techniques. For a good agreement between the two, approximations beyond the local density approximation must be used. It is found that the Co atoms prefer to cluster within the semiconducting matrix, a tendency which is increased with Al co-doping. We envision that it is best to describe the system as superparamagnetic due to the formation of  Co nanoclusters within which the interactions are antiferromagnetic. The magnetic anisotropy and evolution of magnetic domains in Fe81Ni19/Co(001) superlattices were investigated both experimentally, as well as using model spin dynamics. A magnetic reorientation transition was found.
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Larsson, Ashley Ian. "Mathematical aspects of wave theory for inhomogeneous materials /." Title page, table of contents and summary only, 1991. http://web4.library.adelaide.edu.au/theses/09PH/09phl334.pdf.

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Books on the topic "Theory of materials"

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Nedelsky, Jennifer. Feminist theory: Materials. [Toronto: Faculty of Law, University of Toronto], 1996.

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Nedelsky, Jennifer. Feminist theory: Materials. [Toronto: Faculty of Law, University of Toronto], 1996.

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Brudner, Alan. Constitutional theory: Course materials. [Toronto]: Faculty of Law, University of Toronto, 1995.

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Brudner, Alan. Constitutional theory: Course materials. [Toronto, Ont.]: Faculty of Law, University of Toronto, 1988.

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Brudner, Alan. Constitutional theory: Course materials. [Toronto, Ont.]: Faculty of Law, University of Toronto, 1990.

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Conklin, William E. Materials on constitutional theory. [Toronto, Ont: Faculty of Law, University of Toronto, 1989.

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Brudner, Alan. Constitutional theory: Course materials. [Toronto, Ont.]: Faculty of Law, University of Toronto, 1992.

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Brudner, Alan. Constitutional theory: Course materials. [Toronto]: Faculty of Law, University of Toronto, 1998.

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Brudner, Alan. Constitutional theory: Course materials. [Toronto]: Faculty of Law, University of Toronto, 1993.

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Brudner, Alan. Constitutional theory: Course materials. Toronto]: Faculty of Law, University of Toronto, 1998.

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Book chapters on the topic "Theory of materials"

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Olohan, Maeve. "Materials." In Translation and Practice Theory, 35–56. London; New York : Routledge, 2020. | Series: Translation theories explored: Routledge, 2020. http://dx.doi.org/10.4324/9781315514772-4.

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Nielsen, Lauge Fuglsang. "Composite Theory — Elasticity." In Composite Materials, 65–98. Berlin, Heidelberg: Springer Berlin Heidelberg, 2005. http://dx.doi.org/10.1007/978-3-540-27680-7_8.

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Nielsen, Lauge Fuglsang. "Composite Theory — Conductivity." In Composite Materials, 99–111. Berlin, Heidelberg: Springer Berlin Heidelberg, 2005. http://dx.doi.org/10.1007/978-3-540-27680-7_9.

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Allnatt, A. R. "Atomic Theory of Diffusion — Linear Response Theory." In Diffusion in Materials, 55–86. Dordrecht: Springer Netherlands, 1990. http://dx.doi.org/10.1007/978-94-009-1976-1_3.

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Nielsen, Lauge Fuglsang. "Simplified Composite Theory — Elasticity." In Composite Materials, 113–54. Berlin, Heidelberg: Springer Berlin Heidelberg, 2005. http://dx.doi.org/10.1007/978-3-540-27680-7_10.

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Nielsen, Lauge Fuglsang. "Simplified Composite Theory — Conductivity." In Composite Materials, 155–61. Berlin, Heidelberg: Springer Berlin Heidelberg, 2005. http://dx.doi.org/10.1007/978-3-540-27680-7_11.

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Nielsen, Lauge Fuglsang. "Diagnostic Aspects of Theory." In Composite Materials, 163–76. Berlin, Heidelberg: Springer Berlin Heidelberg, 2005. http://dx.doi.org/10.1007/978-3-540-27680-7_12.

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Brockmann, T. H. "Piezoelectric Materials." In Theory of Adaptive Fiber Composites, 41–67. Dordrecht: Springer Netherlands, 2009. http://dx.doi.org/10.1007/978-90-481-2435-0_4.

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Mackay, Tom G. "Electromagnetic Theory of Materials." In Photonics, 165–203. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2015. http://dx.doi.org/10.1002/9781119009719.ch6.

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Bird, John. "Magnetic materials." In Bird's Electrical Circuit Theory and Technology, 670–87. 7th ed. London: Routledge, 2021. http://dx.doi.org/10.1201/9781003130338-45.

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Conference papers on the topic "Theory of materials"

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Weiglhofer, Werner S. "Electromagnetic theory of complex materials." In SPIE's International Symposium on Optical Science, Engineering, and Instrumentation, edited by Akhlesh Lakhtakia and Russell F. Messier. SPIE, 1999. http://dx.doi.org/10.1117/12.351263.

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Xin Zhao, Jungang Miao, and Jingshan Jiang. "Terahertz test on low-reflection materials." In EM Theory (ISAPE - 2010). IEEE, 2010. http://dx.doi.org/10.1109/isape.2010.5696494.

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Lidyawati, Yenni, Didi Suhendi, and Subadiyono. "Practicality of Literary Theory Teaching Materials." In 4th Sriwijaya University Learning and Education International Conference (SULE-IC 2020). Paris, France: Atlantis Press, 2020. http://dx.doi.org/10.2991/assehr.k.201230.160.

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Roytburd, Alexander L. "Theory of adaptive composites." In Smart Structures and Materials '97, edited by Vasundara V. Varadan and Jagdish Chandra. SPIE, 1997. http://dx.doi.org/10.1117/12.276564.

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"Society Related Materials." In 2008 40th Southeastern Symposium on System Theory (SSST). IEEE, 2008. http://dx.doi.org/10.1109/ssst.2008.4480175.

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Anatychuk, L. I., S. V. Kosyachenko, S. V. Melnychuk, and V. M. Chernov. "Theory for optimization of thermoelectric powder materials." In The thirteenth international conference on thermoelectrics. AIP, 1994. http://dx.doi.org/10.1063/1.46814.

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Niez, Jean-Jacques, and R. Balian. "Effective medium theory for random dielectric materials." In 1994 North American Conference on Smart Structures and Materials, edited by H. Thomas Banks. SPIE, 1994. http://dx.doi.org/10.1117/12.174235.

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Eskandari, Shahin, and Hamid Akbarzadeh. "Couple Stress Theory For Materials With Microstructures." In Canadian Society for Mechanical Engineering International Congress (2021 : Charlottetown, PE). Charlottetown, P.E.I.: University of Prince Edward Island. Robertson Library, 2021. http://dx.doi.org/10.32393/csme.2021.77.

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Burke, Shawn E., and Robert L. Clark. "Transducer tolerance theory for structural control." In Smart Structures & Materials '95, edited by Inderjit Chopra. SPIE, 1995. http://dx.doi.org/10.1117/12.208278.

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Guo Hongfu, Fu Mi, and Tang Jinfeng. "Analysis of UWB electric-field probe with different materials." In EM Theory (ISAPE - 2010). IEEE, 2010. http://dx.doi.org/10.1109/isape.2010.5696681.

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Reports on the topic "Theory of materials"

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Sethna, James P. Deformed Materials: Towards a Theory of Materials Morphology Dynamics. Office of Scientific and Technical Information (OSTI), June 2017. http://dx.doi.org/10.2172/1366763.

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Harris, Jim, and Shoucheng Zhang. Materials and Theory of Topological Insulators. Fort Belvoir, VA: Defense Technical Information Center, October 2012. http://dx.doi.org/10.21236/ada579428.

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Luskin, Mitchell. Theory and Computation for Mesoscopic Materials Modeling. Office of Scientific and Technical Information (OSTI), November 2018. http://dx.doi.org/10.2172/1480919.

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Bazant, Zdenek P. Nonlocal Theory for Fracturing of Quasibrittle Materials. Fort Belvoir, VA: Defense Technical Information Center, March 1994. http://dx.doi.org/10.21236/ada278283.

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Abeyaratne, Rohan, and Guo-Hua Jiang. Dilatationally Nonlinear Elastic Materials: (1) Some Theory. Fort Belvoir, VA: Defense Technical Information Center, September 1988. http://dx.doi.org/10.21236/ada202824.

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Zhang, Z. Y. Theory VI. Computational Materials Sciences Network (CMSN). Office of Scientific and Technical Information (OSTI), June 2008. http://dx.doi.org/10.2172/978677.

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Baker-Jarvis, James, Joseph Mantese, and Richard G. Geyer. Effective medium theory for ferrite-loaded materials. Gaithersburg, MD: National Bureau of Standards, 1994. http://dx.doi.org/10.6028/nist.tn.1371.

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Christe, Karl, William Wilson, Greg Drake, M. Petrie, and J. Sheehy. Theory and Synthesis of New HEDM Related Materials. Fort Belvoir, VA: Defense Technical Information Center, February 1998. http://dx.doi.org/10.21236/ada397993.

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Klein, W., S. Redner, and H. E. Stanley. Percolation and Low Density Materials: Theory and Applications. Fort Belvoir, VA: Defense Technical Information Center, May 1986. http://dx.doi.org/10.21236/ada169204.

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Klein, William. Percolation and Low Density Materials: Theory and Applications. Fort Belvoir, VA: Defense Technical Information Center, June 1990. http://dx.doi.org/10.21236/ada224237.

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