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Title: Simulating Interface Growth and Defect Generation in CZT – Simulation State of the Art and Known Gaps

Abstract

This one-year, study topic project will survey and investigate the known state-of-the-art of modeling and simulation methods suitable for performing fine-scale, fully 3-D modeling, of the growth of CZT crystals at the melt-solid interface, and correlating physical growth and post-growth conditions with generation and incorporation of defects into the solid CZT crystal. In the course of this study, this project will also identify the critical gaps in our knowledge of modeling and simulation techniques in terms of what would be needed to be developed in order to perform accurate physical simulations of defect generation in melt-grown CZT. The transformational nature of this study will be, for the first time, an investigation of modeling and simulation methods for describing microstructural evolution during crystal growth and the identification of the critical gaps in our knowledge of such methods, which is recognized as having tremendous scientific impacts for future model developments in a wide variety of materials science areas.

Authors:
 [1];  [1];  [1];  [1];  [1];  [2]
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  2. Cornell Univ., Ithaca, NY (United States)
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1118122
Report Number(s):
PNNL-22055
400904120
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; Modeling and Simulation; CZT; Solidification; Crystal Growth; Review

Citation Formats

Henager, Charles H., Gao, Fei, Hu, Shenyang Y., Lin, Guang, Bylaska, Eric J., and Zabaras, Nicholas. Simulating Interface Growth and Defect Generation in CZT – Simulation State of the Art and Known Gaps. United States: N. p., 2012. Web. doi:10.2172/1118122.
Henager, Charles H., Gao, Fei, Hu, Shenyang Y., Lin, Guang, Bylaska, Eric J., & Zabaras, Nicholas. Simulating Interface Growth and Defect Generation in CZT – Simulation State of the Art and Known Gaps. United States. doi:10.2172/1118122.
Henager, Charles H., Gao, Fei, Hu, Shenyang Y., Lin, Guang, Bylaska, Eric J., and Zabaras, Nicholas. Thu . "Simulating Interface Growth and Defect Generation in CZT – Simulation State of the Art and Known Gaps". United States. doi:10.2172/1118122. https://www.osti.gov/servlets/purl/1118122.
@article{osti_1118122,
title = {Simulating Interface Growth and Defect Generation in CZT – Simulation State of the Art and Known Gaps},
author = {Henager, Charles H. and Gao, Fei and Hu, Shenyang Y. and Lin, Guang and Bylaska, Eric J. and Zabaras, Nicholas},
abstractNote = {This one-year, study topic project will survey and investigate the known state-of-the-art of modeling and simulation methods suitable for performing fine-scale, fully 3-D modeling, of the growth of CZT crystals at the melt-solid interface, and correlating physical growth and post-growth conditions with generation and incorporation of defects into the solid CZT crystal. In the course of this study, this project will also identify the critical gaps in our knowledge of modeling and simulation techniques in terms of what would be needed to be developed in order to perform accurate physical simulations of defect generation in melt-grown CZT. The transformational nature of this study will be, for the first time, an investigation of modeling and simulation methods for describing microstructural evolution during crystal growth and the identification of the critical gaps in our knowledge of such methods, which is recognized as having tremendous scientific impacts for future model developments in a wide variety of materials science areas.},
doi = {10.2172/1118122},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2012},
month = {11}
}

Technical Report:

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