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Integrated computational materials engineering

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simulation tools operating on different scales and being modular interconnected by a common language in form of standardized data exchange will allow integrating different disciplines along the production chain, which by now have only scarcely interacted. This will substantially improve the understanding of individual processes by integrating the component history originating from preceding steps as the initial condition for the actual process. Eventually this will lead to optimized process and production scenarios and will allow effective tailoring of specific materials and component properties.
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history starting from the homogeneous, isotropic and stress free melt. Thus - for a successful ICME - an efficient exchange of information along the entire process chain and across all relevant length scales is mandatory. The models to be combined for this purpose comprise both academic and/or commercial modelling tools and simulation software packages. To streamline the information flow within this heterogeneous variety of modelling tools, the concept of a modular, standardized simulation platform has recently been proposed. A first realisation of this concept is the
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tools and experimental data provided by EVOCD in conducting simulations and bridging procedures for quantifying the structure-property relationships of materials at multiple length scales. On successful completion of the assigned projects, students published their multiscale modeling learning outcomes on the
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was taught by Dr. Mark Horstemeyer (MSU) and Dr. William (Bill) Shelton (Louisiana State University, LSU) with students from each institution via distance learning. The goal of the methodology embraced in this course was to provide students with the basic skills to take advantage of the computational
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and other microstructre evolution codes are the initial and boundary conditions. While boundary conditions may be taken e.g. from the simulation of the actual process, the initial conditions (i.e. the initial microstructure entering into the actual process step) involve the entire integrated process
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Integrated Computational Materials Engineering is an approach to design products, the materials that comprise them, and their associated materials processing methods by linking materials models at multiple length scales. ICME thus naturally requires the combination of a variety of models and software
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ICMEg will create an international network of simulation providers and users. It will promote a deeper understanding between the different communities (academia and industry) each of them by now using very different tools/methods and data formats. The harmonization and standardization of information
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Suites of models (large-scale, small-scale, atomic-scale, process-structure, structure-properties, etc.) can be hierarchically integrated into a systems design framework to enable the computational design of entirely new materials. A commercial leader in the use of ICME in computational materials
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in ICME in the fall of 2011. The first Integrated Computational Materials Engineering (ICME) course based upon Horstemeyer 2012 was delivered at Mississippi State University (MSU) in 2012 as a graduate course with distance learning students included . It was later taught in 2013 and 2014 at MSU
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Mesoscale: continuum level formulations are used with discrete quantities at multiple micrometer scales. "Meso" is an ambiguous term that means "intermediate" so it has been used as representing different intermediate scales. In this context, it can represent modeling from crystal plasticity for
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A fundamental requirement to meet the ambitious ICME objective of designing materials for specific products resp. components is an integrative and interdisciplinary computational description of the history of the component starting from the sound initial condition of a homogeneous, isotropic and
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Efforts to generate a common language by standardizing and generalizing data formats for the exchange of simulation results represent a major mandatory step towards successful future applications of ICME. A future, structural framework for ICME comprising a variety of academic and/or commercial
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The ICMEg project aims to build up a scientific network of stakeholders concentrating on boosting ICME into industrial application by defining a common communication standard for ICME relevant tools. Eventually this will allow stakeholders from electronic, atomistic, mesoscopic and continuum
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Horstemeyer, M.F.; D. Oglesby; J. Fan; P.M. Gullett; H. El Kadiri; Y. Xue; C. Burton; K. Gall; B. Jelinek; M.K. Jones; S. G. Kim; E.B. Marin; D.L. McDowell; A. Oppedal; N. Yang (2007). "From Atoms to Autos: Designing a Mg Alloy Corvette Cradle by Employing Hierarchical Multiscale
74:(ICME) is an approach to design products, the materials that comprise them, and their associated materials processing methods by linking materials models at multiple length scales. Key words are "Integrated", involving integrating models at multiple length scales, and " 210:
aims to evaluate material properties or behavior on one level using information or models from different levels and properties of elementary processes. Usually, the following levels, addressing a phenomenon over a specific window of length and time, are recognized:
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for a given application. The key links are process-structures-properties-performance. The National Academies report describes the need for using multiscale materials modeling to capture the process-structures-properties-performance of a material.
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are commercial finite element solutions used in production environments by major manufacturers in aerospace, automotive and government organizations to simulate local material phase changes of metals prior to manufacturing.
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to establish and to maintain a network of contacts to simulation software providers, governmental and international standardization authorities, ICME users, associations in the area of materials and processing, and
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tools. It is thus a common objective to build up a scientific network of stakeholders concentrating on boosting ICME into industrial application by defining a common communication standard for ICME relevant tools.
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computational thermodynamics software predicts free energy as a function of composition; a phase field model then uses this to predict structure formation and development, which one may then correlate with
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Schmitz, Georg J. (2016). "Microstructure modeling in integrated computational materials engineering (ICME) settings: Can HDF5 provide the basis for an emerging standard for describing microstructures?".
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communities to benefit from sharing knowledge and best practice and thus to promote a deeper understanding between the different communities of materials scientists, IT engineers and industrial users.
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Nanoscale: semi-empirical atomistic methods are used such as Lennard-Jones, Brenner potentials, embedded atom method (EAM) potentials, and modified embedded atom potentials (MEAM) in
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Committee on Integrated Computational Materials Engineering, National Materials Advisory Board, Division on Engineering and Physical Sciences, National Research Council (2008).
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Horstemeyer, M.F.; Wang, P. (2003). "Cradle-to-Grave simulation-Based Design Incorporating Multiscale Microstructure-Property Modeling: Reinvigorating Design with Science".
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Schmitz, Georg J.; Böttger, Bernd; Apel, Markus; Eiken, Janin; Laschet, Gottfried; Altenfeld, Ralph; Berger, Ralf; Boussinot, Guillaume; Viardin, Alexandre (2016).
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Microscale: modeling techniques that represent the micrometer scale such as dislocation dynamics codes for metals and phase field models for multiphase materials.
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stress free melt resp. gas phase and continuing via subsequent processing steps and eventually ending in the description of failure onset under operational load.
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exchange along the life-cycle of a component and across the different scales (electronic, atomistic, mesoscopic, continuum) are the key activity of ICMEg.
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Panchal, Jitesh H.; Surya R. Kalidindi; David L. McDowell (2013). "Key computational modeling issues in Integrated Computational Materials Engineering".
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simulation might integrate a continuum solid mechanics model of macroscopic deformation with an FD model of atomic motions at the crack tip
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A comprehensive compilation of software tools with relevance for ICME is documented in the Handbook of Software Solutions for ICME
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security,
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
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Organization of International Workshops on Software Solutions for Integrated Computational Materials Engineering
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Katsuyo Thorton announced at the 2010 MS&T ICME Technical Committee meeting that NSF would be funding a "
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Process models calculate spatial distribution of structure features, e.g. fiber density and orientation in a
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Integrative Computational Materials Engineering- Concepts and applications of a modular simulation platform
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to define and communicate an ICME language in form of an open and standardized communication protocol
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as a suitable communication file standard for microstructure information exchange in ICME settings
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process modeling/simulations: extrusion, rolling, sheet forming, stamping, casting, welding, etc.
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to identify missing tools, models and functionalities and propose a roadmap for their development
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Proceedings of the 1st World Congress on Integrated Computational Materials Engineering (ICME)
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is utilized for tracking material changes during composite forming manufacturing simulation.
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metals, Eshelby solutions for any materials, homogenization methods, and unit cell methods.
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Committee on Integrated Computational Materials Engineering, National Research Council,
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Schmitz, G.J.; Prahl, U. (2009). "Toward a virtual platform for materials processing".
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is a multiscale constitutive modeling software based on mechanics of structure genome.
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Electronic scale: Schroedinger equations are used in a computational framework as
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Macroscale: constitutive (rheology) equations are used at the continuum level in
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Most of the activities being launched in the ICMEg project are continued by the
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There are some software codes that operate on different length scales such as:
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Internal State Variable (ISV) plasticity-damage model (DMG) developed by a
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Conducting market study and survey on available simulation software for ICME
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Large scale models explicitly fully couple with small scale models, e.g. a
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product modeling/simulations: performance, impact, fatigue, corrosion, etc.
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to stimulate knowledge sharing in the field of multiscale materials design
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G. Olson, Designing a New Material Word, Science, Vol. 288, May 12, 2000
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to discuss and to decide about future amendments to the initial standard
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Integrated Computational Materials Engineering (ICME) for Metals
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Microstructure-Property Models for Monotonic and Cyclic Loads".
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The ICMEg project ended in October 2016. Its major outcomes are
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Schmitz, Georg J.; Prahl, Ulrich (2016-09-23), "Introduction",
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the specification of a metadata description for microstructures
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An essential ingredient to model microstructure evolution by
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from which one can draw correlations at various length scales
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Cyberinfrastructure for ICME at Mississippi State University
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steels were designed and developed using ICME methodologies.
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The Minerals, Metals & Materials Society (TMS) (2011).
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is a multiscale probabilistic fracture mechanics software.
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formation and evolution on nanometer to millimeter scales.
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are solvers used to simulate structural responses such as
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Create and maintain forum for knowledge sharing in ICME
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may be too technical for most readers to understand
799: 434:, a small business in Evanston, IL co-founded by 811: 809: 495:starting in 2011. Northwestern began offering a 72:Integrated Computational Materials Engineering 644:(2009). J. Leszczynski; M. K. Shukla (eds.). 455:led by Prof. Mark F. Horstemeyer (Founder of 188:a network of stakeholders in the area of ICME 8: 1130:Practical Aspects of Computational Chemistry 915:Science and Technology of Advanced Materials 646:Practical Aspects of Computational Chemistry 626:: CS1 maint: multiple names: authors list ( 436:Prof. Greg Olson of Northwestern University 794: 792: 790: 366:is a multiscale material modeling platform 325:for simulation of microstructure evolution 203:Multiscale modeling in material processing 175:a Handbook of Software Solutions for ICME 950: 694: 692: 606:. National Academies Press. p. 132. 59:Learn how and when to remove this message 43:, without removing the technical details. 1160:GeoDict The Digital Material Laboratory 835:Handbook of Software Solutions for ICME 699:Schmitz, G. J.; Prahl,U., eds. (2012). 547: 108:Standardization of information exchange 730:. John Wiley & Sons. p. 275. 619: 828: 826: 345:- The Digital Material Laboratory by 41:make it understandable to non-experts 7: 194:European Materials Modelling Council 82:, how those structures give rise to 1002:10.1023/b:jcad.0000024171.13480.24 990:J. Computer-Aided Materials Design 14: 124:The ICMEg project and its mission 1107:National Academies Press, 2008. 557:"Designing a New Material World" 317:and even non-equilibrium phases. 157:The activities of ICMEg include 20: 519:Computational materials science 703:. Weinheim: Wiley VCH Verlag. 555:Olson, Gregory B. (May 2000). 497:Masters of Science Certificate 457:Predictive Design Technologies 438:. QuesTek's high-performance 313:for prediction of equilibrium 283:(MD), molecular statics (MS), 1: 1057:. USAMP REPORT # DOE/OR22910. 935:10.1080/14686996.2016.1194166 391:, for use in continuum models 379:Small scale models calculate 374:Examples of Model integration 228:partial differential equation 576:10.1126/science.288.5468.993 449:Mississippi State University 1071:Horstemeyer, M. F. (2012). 1191: 1148:Materials Technology @ TMS 331:of processing parameters, 238:at large (meters) scales. 1075:. John Wiley & Sons. 888:10.1007/s11837-015-1748-2 843:10.1002/9783527693566.ch1 773:10.1007/s11837-009-0064-0 683:10.1016/j.cad.2012.06.006 296:density functional theory 1046:Final Report Compilation 1039:Wakade, Shekhar (2011). 529:ICME cyberinfrastructure 136:The mission of ICMEg is 1026:Msu.cavs.CMD.2007-R0001 432:QuesTek Innovations LLC 95:Standardization in ICME 493:University of Michigan 178:the identification of 116: 671:Computer-Aided Design 524:Materials informatics 257:at millimeter scales. 115: 1098:November 2006 issue 927:2016STAdM..17..410S 880:2016JOM....68a..77S 765:2009JOM....61e..19S 534:Cyberinfrastructure 381:material properties 291:(KMC) formulations. 289:kinetic Monte Carlo 255:transport phenomena 236:transport phenomena 208:Multiscale modeling 198:MarketPlace project 84:material properties 1126:Horstemeyer 2009: 417:composite material 403:phase field models 281:molecular dynamics 266:Phase field models 215:Structural scale: 117: 1175:Materials science 1082:978-1-118-02252-8 975:"Material Models" 817:"ICMEg workshops" 710:978-3-527-33081-2 655:978-90-481-2686-6 570:(5468): 993–998. 491:" on ICME at the 322:Phase field codes 270:phase transitions 225:finite difference 69: 68: 61: 1182: 1087: 1086: 1068: 1059: 1058: 1036: 1030: 1029: 1020: 1014: 1013: 985: 979: 978: 971: 965: 964: 954: 906: 900: 899: 862: 856: 855: 830: 821: 820: 813: 804: 803: 796: 785: 784: 748: 742: 741: 721: 715: 714: 696: 687: 686: 666: 660: 659: 642:M.F. Horstemeyer 638: 632: 631: 625: 617: 597: 588: 587: 561: 552: 88:select materials 64: 57: 53: 50: 44: 24: 23: 16: 1190: 1189: 1185: 1184: 1183: 1181: 1180: 1179: 1165: 1164: 1140: 1100:focused on ICME 1091: 1090: 1083: 1070: 1069: 1062: 1055:10.2172/1038533 1038: 1037: 1033: 1022: 1021: 1017: 987: 986: 982: 973: 972: 968: 908: 907: 903: 864: 863: 859: 853: 832: 831: 824: 815: 814: 807: 800:"ICMEg project" 798: 797: 788: 750: 749: 745: 738: 723: 722: 718: 711: 698: 697: 690: 668: 667: 663: 656: 640: 639: 635: 618: 614: 599: 598: 591: 559: 554: 553: 549: 542: 515: 485: 376: 251:solid mechanics 232:solid mechanics 205: 126: 110: 97: 65: 54: 48: 45: 37:help improve it 34: 25: 21: 12: 11: 5: 1188: 1186: 1178: 1177: 1167: 1166: 1163: 1162: 1157: 1152: 1150: 1139: 1138:External links 1136: 1135: 1134: 1124: 1119: 1101: 1089: 1088: 1081: 1060: 1031: 1015: 980: 966: 921:(1): 410–430. 901: 857: 851: 822: 805: 786: 743: 737:978-1118147740 736: 716: 709: 688: 661: 654: 633: 612: 589: 546: 545: 541: 538: 537: 536: 531: 526: 521: 514: 511: 484: 481: 480: 479: 460: 445: 427: 420: 413: 399: 392: 385:yield strength 375: 372: 368: 367: 361: 355: 349: 340: 335:features, and 333:microstructure 326: 318: 315:phase diagrams 311:thermodynamics 309:computational 300: 299: 292: 277: 274:microstructure 262: 258: 247: 246: 245: 242: 217:Finite element 204: 201: 190: 189: 186: 183: 176: 169: 168: 165: 162: 155: 154: 151: 148: 145: 142: 125: 122: 109: 106: 96: 93: 67: 66: 28: 26: 19: 13: 10: 9: 6: 4: 3: 2: 1187: 1176: 1173: 1172: 1170: 1161: 1158: 1156: 1153: 1151: 1149: 1145: 1142: 1141: 1137: 1133: 1131: 1125: 1123: 1120: 1118: 1114: 1113:0-309-11999-5 1110: 1106: 1102: 1099: 1096: 1093: 1092: 1084: 1078: 1074: 1067: 1065: 1061: 1056: 1052: 1048: 1047: 1042: 1035: 1032: 1027: 1019: 1016: 1011: 1007: 1003: 999: 995: 991: 984: 981: 976: 970: 967: 962: 958: 953: 948: 944: 940: 936: 932: 928: 924: 920: 916: 912: 905: 902: 897: 893: 889: 885: 881: 877: 873: 869: 861: 858: 854: 852:9783527693566 848: 844: 840: 836: 829: 827: 823: 818: 812: 810: 806: 801: 795: 793: 791: 787: 782: 778: 774: 770: 766: 762: 758: 754: 747: 744: 739: 733: 729: 728: 720: 717: 712: 706: 702: 695: 693: 689: 684: 680: 676: 672: 665: 662: 657: 651: 647: 643: 637: 634: 629: 623: 615: 613:9780309178211 609: 605: 604: 596: 594: 590: 585: 581: 577: 573: 569: 565: 558: 551: 548: 544: 539: 535: 532: 530: 527: 525: 522: 520: 517: 516: 512: 510: 508: 503: 498: 494: 490: 489:Summer School 482: 477: 472: 468: 464: 461: 458: 454: 450: 446: 443: 442: 437: 433: 428: 425: 421: 418: 414: 411: 410: 404: 400: 396: 393: 390: 386: 382: 378: 377: 373: 371: 365: 362: 359: 356: 353: 350: 348: 344: 341: 338: 334: 330: 327: 324: 323: 319: 316: 312: 308: 305: 304: 303: 297: 293: 290: 286: 282: 278: 275: 271: 267: 263: 259: 256: 252: 248: 243: 240: 239: 237: 233: 229: 226: 222: 221:finite volume 218: 214: 213: 212: 209: 202: 200: 199: 195: 187: 184: 181: 177: 174: 173: 172: 166: 163: 160: 159: 158: 152: 149: 146: 143: 139: 138: 137: 134: 130: 123: 121: 114: 107: 105: 101: 94: 92: 89: 86:, and how to 85: 81: 77: 73: 63: 60: 52: 49:February 2016 42: 38: 32: 29:This article 27: 18: 17: 1144:ICME section 1129: 1104: 1072: 1045: 1034: 1025: 1018: 993: 989: 983: 969: 918: 914: 904: 874:(1): 77–83. 871: 867: 860: 834: 759:(5): 19–23. 756: 752: 746: 726: 719: 700: 674: 670: 664: 648:. 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Index

help improve it
make it understandable to non-experts
Learn how and when to remove this message
Engineering
structures
material properties
select materials

HDF5
European Materials Modelling Council
MarketPlace project
Multiscale modeling
Finite element
finite volume
finite difference
partial differential equation
solid mechanics
transport phenomena
solid mechanics
transport phenomena
Phase field models
phase transitions
microstructure
molecular dynamics
Monte Carlo
kinetic Monte Carlo
density functional theory
CALPHAD
thermodynamics
phase diagrams

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