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Title: BisQue for 3D Materials Science in the Cloud: Microstructure–Property Linkages

Abstract

Accelerating the design and development of new advanced materials is one of the priorities in modern materials science. These efforts are critically dependent on the development of comprehensive materials cyber-infrastructures which enable effcient data storage, management, sharing, and collaboration as well as integration of computational tools that help establish processing{structure{property relationships. In this contribution, we present implementation of such computational tools into a cloud-based platform called BisQue (Kvilekval et al., 2010). We first describe the current state of BisQue as an open-source platform for multidisciplinary research in the cloud and its potential for 3D materials science. We then demonstrate how new computational tools, primarily aimed at processing{structure{property relationships, can be implemented into the system. Speci cally, in this work, we develop a module for BisQue that enables microstructure-sensitive predictions of effective yield strength of two-phase materials. Towards this end, we present an implementation of a computationally effcient data-driven model into the BisQue platform. The new module is made available online and can be used from a web browser without any special software and with minimal computational requirements on the user end. The capabilities of the module for rapid property screening are demonstrated in case studies with two different methodologies basedmore » on datasets containing 3D microstructure information from (i) synthetic generation and (ii) sampling large 3D volumes obtained in experiments.« less

Authors:
ORCiD logo [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1]
  1. Univ. of California, Santa Barbara, CA (United States)
Publication Date:
Research Org.:
Texas A & M Univ., College Station, TX (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1511699
Grant/Contract Number:  
SC0018901
Resource Type:
Accepted Manuscript
Journal Name:
Integrating Materials and Manufacturing Innovation
Additional Journal Information:
Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2193-9764
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Materials cyberinfrastructure; Cloud-based computing; Reduced order models; Homogenization

Citation Formats

Latypov, Marat I., Khan, Amil, Lang, Christian A., Kvilekval, Kris, Polonsky, Andrew T., Echlin, McLean P., Beyerlein, Irene J., Manjunath, B. S., and Pollock, Tresa M. BisQue for 3D Materials Science in the Cloud: Microstructure–Property Linkages. United States: N. p., 2019. Web. doi:10.1007/s40192-019-00128-5.
Latypov, Marat I., Khan, Amil, Lang, Christian A., Kvilekval, Kris, Polonsky, Andrew T., Echlin, McLean P., Beyerlein, Irene J., Manjunath, B. S., & Pollock, Tresa M. BisQue for 3D Materials Science in the Cloud: Microstructure–Property Linkages. United States. doi:10.1007/s40192-019-00128-5.
Latypov, Marat I., Khan, Amil, Lang, Christian A., Kvilekval, Kris, Polonsky, Andrew T., Echlin, McLean P., Beyerlein, Irene J., Manjunath, B. S., and Pollock, Tresa M. Wed . "BisQue for 3D Materials Science in the Cloud: Microstructure–Property Linkages". United States. doi:10.1007/s40192-019-00128-5.
@article{osti_1511699,
title = {BisQue for 3D Materials Science in the Cloud: Microstructure–Property Linkages},
author = {Latypov, Marat I. and Khan, Amil and Lang, Christian A. and Kvilekval, Kris and Polonsky, Andrew T. and Echlin, McLean P. and Beyerlein, Irene J. and Manjunath, B. S. and Pollock, Tresa M.},
abstractNote = {Accelerating the design and development of new advanced materials is one of the priorities in modern materials science. These efforts are critically dependent on the development of comprehensive materials cyber-infrastructures which enable effcient data storage, management, sharing, and collaboration as well as integration of computational tools that help establish processing{structure{property relationships. In this contribution, we present implementation of such computational tools into a cloud-based platform called BisQue (Kvilekval et al., 2010). We first describe the current state of BisQue as an open-source platform for multidisciplinary research in the cloud and its potential for 3D materials science. We then demonstrate how new computational tools, primarily aimed at processing{structure{property relationships, can be implemented into the system. Speci cally, in this work, we develop a module for BisQue that enables microstructure-sensitive predictions of effective yield strength of two-phase materials. Towards this end, we present an implementation of a computationally effcient data-driven model into the BisQue platform. The new module is made available online and can be used from a web browser without any special software and with minimal computational requirements on the user end. The capabilities of the module for rapid property screening are demonstrated in case studies with two different methodologies based on datasets containing 3D microstructure information from (i) synthetic generation and (ii) sampling large 3D volumes obtained in experiments.},
doi = {10.1007/s40192-019-00128-5},
journal = {Integrating Materials and Manufacturing Innovation},
number = 1,
volume = 8,
place = {United States},
year = {2019},
month = {3}
}

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This content will become publicly available on March 20, 2020
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