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Erschienen in:

2015 | OriginalPaper | Buchkapitel

Computer Simulation in Materials Science and Engineering

Definitions, Types, Methods, Implementation, Verification, and Validation

verfasst von : Lawrence E. Murr

Erschienen in: Handbook of Materials Structures, Properties, Processing and Performance

Verlag: Springer International Publishing

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Abstract

Computer simulation is described as a comprehensive method for studying materials and materials systems. Computational methods used on different length and time scales for the simulation of materials structures and behavior are described along with process features involved in the implementation, verification, and validation of computer simulations. Computer simulation in the context of integrated computational materials engineering as this relates to the materials genome initiative concept for materials innovation and advanced materials development and deployment is discussed.

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Vorheriges Kapitel Photonic Materials and Structures

Nächstes Kapitel Applications and Examples of Multiscale Computer Simulations in Materials Science and Engineering

Abraham F, Broughton J, Bernstein N, Kaxiras E (1998) Spanning the length scales in dynamic simulation. Comput Phys 12:538–556CrossRef

Bathe K (1982) Finite element procedures in engineering analysis. Prentice Hall, Cambridge, UK

Benson DJ (1992) Computational methods in Lagrangian and Eulerial hydrocodes. Comp Methods in Appl Mech & Engr 99(2–3):235–394CrossRef

Broughton JQ, Abrahams FF, Bernstein N, Kaxiras E (1999) Concurrent coupling of length scales; methodology and applications. Phys Rev B60:2391–2403CrossRef

Bulatov VU, Abraham F, Kubin L, Devrince B, Yip S (1998) Connecting atomistic and mesoscale simulations of crystal plasticity. Nature 391:669–672CrossRef

Car R, Parinello M (1985) Unified approach for molecular dynamics and density-functional theory. Phys Rev Lett 55:2471–2474CrossRef

Cao W, Chen S-L, Zhang F, Wu K, Yang Y, Chang YA, Schmid-Fetzer R, Oates WA (2009) PANDAT Software with PanEngine, PanOptimizer and PanPrecipitation for multi-component phase diagram calculation and materials property simulation. CALPHAD Comp Coupling Phase Diagrams Thermochem 33:328–342CrossRef

Cook RD, Malkus DS, Plesha ME, Witt RJ (2001) Concepts and applications of finite element analysis, 4th edn. Lavoisier SAS, Paris

Cundall P, Strack O (1979) A discrete numerical model for granular assemblies. Geotechnique 29:47–65CrossRef

Dantzig JA, Rappaz M (2009) Solidification. CRC Press/Taylor and Francis Group, LLC, Boca RatonCrossRef

Daw MS (1988) Model of metallic cohesion: the embedded atom method. Phys Rev B 39:7441–7452CrossRef

Epstein J (1999) Agent-based computational models and generative social science. Complexity 4(5):41–57CrossRef

Grüne-Yanoff T, Weirich P (2010) Philosophy of simulation. Simul Gaming Interdiscipl J 41(1):1–31

Hayhurst CJ, Ranson HJ, Gardner DJ, Birnbaum NK (1995) Modeling of microparticle hypervelocity oblique impacts on thick targets. Int J Impact Eng 17:375–386CrossRef

Hernandez VS, Murr LE, Anchondo IA (2006) Experimental observations and computer simulations for metallic projectile fragmentation and impact crater development in thick metal targets. Int J Impact Eng 32:1981–1999CrossRef

Hoogerbrugge P, Koelman J (1992) Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics. Europhys Lett 19:155–160CrossRef

Humphreys P, Imbert C (eds) (2010) Models, simulations and representations. Routledge Publishers, London

Johnson GR, Cook WH (1983) A constitutive model and data for metals subjected to large strains, high strain rates and temperatures. In: Proceedings of the 7th international symposium. O Ballistics, The Hague

Kadau K, Germann T, Lomdahl P (2004) Large-scale molecular dynamics simulation of 19 billion particles. J Modern Phys C 15:193–201CrossRef

Kosloff R (1988) Time-dependent quantum-mechanical methods for molecular dynamics. J Chem Phys 92:2087–2100CrossRef

Le Sar R (2014) Introduction to computational materials science. Cambridge University Press, Cambridge, UK

Liu GR, Liu MB (2003) Smoothed particle hydrodynamics. A meshfree particle method. Scientific, SingaporeCrossRef

Maitland G, Rigby M, Smith E, Wakeham W (1981) Intermolecular forces – their origins and determination. Clarendon Press, Oxford

Nightingale M, Umrigar C (eds) (1999) Quantum Monte Carlo methods in physics and chemistry. Springer, New York

Phillips R (2003) Crystals, defects and microstructures – modeling across scales. Cambridge University Press, Cambridge, UK

Roy S (2005) Recent advances in numerical methods for fluid dynamics and heat transfer. J Fluid Eng 127(4):629–630CrossRef

Saal JA, Kirklin S, Aykol M, Meredig B, Wolverton C (2013) Materials design and discovery with high-throughput density functional theory: the open quantum materials database (OQMD). JOM 65(1):1501–1509CrossRef

Steinberg DJ, Cochran SG, Guinan MW (1980) A constitutive model for metals applicable at high strain rates. J Appl Phys 51(3):1498–1502CrossRef

Steinhauser MO (2008) Computational multiscale modeling of solids and fluids – theory and applications. Springer, Heidelberg

Steinhauser MO, Hiermaier S (2009) A review of computational methods in materials sciences: examples from shock-wave and polymer physics. Int J Mol Sci 10:5135–5216CrossRef

Wang Y, Shang S, Chen L-Q, Liu Z-K (2013) Density functional theory-based database development and CALPHAD automation. JOM 65(1):1533–1539CrossRef

Winsberg E (2003) Simulated experiments: methodology for a virtual world. Phil Sci 70:105–125CrossRef

Winsberg E (2010) Science in the age of computer simulation. The University of Chicago Press, ChicagoCrossRef

Zerilli FJ, Armstrong RW (1992) The effect of dislocation drag on the stress–strain behavior of fcc metals. Acta Met Mater 40:1803–1809CrossRef

Titel: Computer Simulation in Materials Science and Engineering
verfasst von: Lawrence E. Murr
Verlag: Springer International Publishing
Buch: Handbook of Materials Structures, Properties, Processing and Performance
Print ISBN: 978-3-319-01814-0

Electronic ISBN: 978-3-319-01815-7

Copyright-Jahr: 2015
DOI: https://doi.org/10.1007/978-3-319-01815-7_60

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