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INFORMATION
The Materials Cyberinfrastructure Portal provides access to software and databases that support computational materials science and Integrated Computational Materials Engineering (ICME). The resources are sorted into three categories based on whether they enable prediction of processing outcomes, microstructure, or properties.

To learn more about how these resources can be used to support computational materials science and ICME, download the TMS studies, "Implementing ICME in the Aerospace, Automotive, and Maritime Industries" and "Modeling Across Scales."
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Resource TitleDescriptionPublic / Commercial
Abaqus FEA A software suite developed to address challenging nonlinear problems, large-scale linear dynamics applications, and routine design simulations over a wide array of industrial applications. Commercial
Abaqus/Standard "Abaqus/Standard employs solution technology ideal for static and low-speed dynamic events where highly accurate stress solutions are critically important." Commercial
Accelrys Materials Studio The Materials Studio modeling environment supports predictions and investigations of materials' structure-property relationships. The modeling environment includes solution methods for quantum, atomistic, mesoscale, and statistical methods for evaluating various particle sizes and time scales. Crystal structure and growth evaluations are also supported. Commercial
ALE3D "ALE3D is a 2D and 3D multi-physics numerical simulation software tool using arbitrary Lagrangian-Eulerian (ALE) techniques." Applications of ALE3D include hydrodynamics, heat conduction, chemical kinetics, diffusion, multi-phase flow, and structural material models. Public
Ansys ANSYS offers a comprehensive range of engineering simulation solution sets providing access to virtually any field of engineering simulation that a design process requires. Commercial
ANSYS 16 "ANSYS 16 delivers major advancements across the company's entire portfolio, including structures, fluids, electronics and systems engineering solutions - providing engineers with the ability to validate complete virtual prototypes." Commercial
ANSYS CFX "ANSYS CFX software is a high-performance, general purpose fluid dynamics program that has been applied to solve wide-ranging fluid flow problems for over 20 years." Commercial
ANSYS FLUENT "ANSYS Fluent software contains the broad physical modeling capabilities needed to model flow, turbulence, heat transfer, and reactions for a wide variety of industrial applications." Commercial
AnyCasting "AnyCasting is an analysis program designed exclusively for casting processes." The program predicts filling times, solidification patterns, casting defects, etc. with speed and accuracy. AnyCasting also predicts final microstructure and mechanical properties. Commercial
ATAT The Alloy-Theoretic Automated Toolkit (ATAT) includes tools for: cluster expansions from first-principles (MAPS), Monte Carlo simulation of lattice models in order to compute thermodynamic properties of alloys starting from a cluster expansion, extending the above tools to reciprocal-space cluster expansions, and interfacing the above tools with first-principles codes (such as VSAP). Public
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