PRISMS: An Integrated, Open-Source Framework for Accelerating Predictive Structural Materials Science

被引：33

作者：

Aagesen, L. K. ^{[1
,2
]}

Adams, J. F. ^{[1
,3
]}

Allison, J. E. ^{[1
]}

Andrews, W. B. ^{[1
]}

Araullo-Peters, V. ^{[1
,4
]}

Berman, T. ^{[1
]}

Chen, Z. ^{[5
]}

Daly, S. ^{[5
]}

Das, S. ^{[6
]}

DeWitt, S. ^{[1
]}

Ganesan, S. ^{[3
,7
]}

Garikipati, K. ^{[6
]}

Gavini, V. ^{[1
,6
]}

Githens, A. ^{[1
]}

Hedstrom, M. ^{[8
]}

Huang, Z. ^{[1
]}

Jagadish, H. V. ^{[9
]}

Jones, J. W. ^{[1
]}

Luce, J. ^{[1
]}

Marquis, E. A. ^{[1
]}

Misra, A. ^{[1
]}

Montiel, D. ^{[1
]}

Motamarri, P. ^{[6
]}

Murphy, A. D. ^{[1
]}

Natarajan, A. R. ^{[10
]}

Panwar, S. ^{[7
]}

Puchala, B. ^{[1
]}

Qi, L. ^{[1
]}

Rudraraju, S. ^{[6
,11
]}

Sagiyama, K. ^{[6
]}

Solomon, E. L. S. ^{[1
,12
]}

Sundararaghavan, V. ^{[7
]}

Tarcea, G. ^{[9
]}

Teichert, G. H. ^{[6
]}

Thomas, J. C. ^{[10
]}

Thornton, K. ^{[1
]}

Van der Ven, A. ^{[10
]}

Wang, Z. ^{[6
]}

Weymouth, T. ^{[1
]}

Yang, C. ^{[1
]}

机构：

[1] Univ Michigan, Mat Sci & Engn, Ann Arbor, MI 48109 USA

[2] Idaho Natl Lab, Idaho Falls, ID 83415 USA

[3] Intel Corp, Hillsboro, OR 97124 USA

[4] Queen Mary Univ London, London E1 4NS, England

[5] Univ Calif Santa Barbara, Mech Engn, Santa Barbara, CA 93106 USA

[6] Univ Michigan, Mech Engn, Ann Arbor, MI 48105 USA

[7] Univ Michigan, Aerosp Engn, Ann Arbor, MI 48109 USA

[8] Univ Michigan, Sch Informat, Ann Arbor, MI 48109 USA

[9] Univ Michigan, Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA

[10] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA

[11] Univ Wisconsin, Mech Engn, Madison, WI 53706 USA

[12] Engn Syst Inc, Ann Arbor, MI 48108 USA

来源：

JOM | 2018年 / 70卷 / 10期

基金：

美国国家科学基金会;

关键词：

CRYSTAL PLASTICITY SIMULATIONS; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AGE-HARDENING RESPONSE; MECHANICAL-PROPERTIES; ELECTRONIC-STRUCTURE; PHASE-TRANSITIONS; ISOGEOMETRIC SOLUTIONS; GRADIENT ELASTICITY; MG;

D O I：

10.1007/s11837-018-3079-6

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The Center for Predictive Integrated Structural Materials Science (PRISMS Center) is creating a unique framework for accelerated predictive materials science and rapid insertion of the latest scientific knowledge into next-generation ICME tools. There are three key elements of this framework. The first is a suite of high-performance, open-source integrated multi-scale computational tools for predicting microstructural evolution and mechanical behavior of structural metals. Specific modules include statistical mechanics, phase field, crystal plasticity simulation and real-space DFT codes. The second is the Materials Commons, a collaboration platform and information repository for the materials community. The third element of the PRISMS framework is a set of integrated scientific "Use Cases" in which these computational methods are linked with experiments to demonstrate the ability for improving our predictive understanding of magnesium alloys, in particular, the influence of microstructure on monotonic and cyclic mechanical behavior. This paper reviews progress toward these goals and future plans.

引用

页码：2298 / 2314

页数：17

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