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Title: TASK 7 DEMONSTRATION OF THAMES FOR MICROSTRUCTURE AND TRANSPORT PROPERTIES

Abstract

The goal of the Cementitious Barriers Partnership (CBP) is to develop a reasonable and realible set of tools to reduce the uncertainty in predicting the structural, hydraulic and chemical performance of cement barriers used in nuclear applications that are exposed to dynamic environmental conditions over extended time frames. One of these tools, the responsibility of NIST, is THAMES (Thermodynamic Hydration and Microstructure Evolution Simulator), which is being developed to describe cementitious binder microstructures and calculate important engineering properties during hydration and degradation. THAMES is designed to be a 'micro-probe', used to evaluate changes in microstructure and properties occurring over time because of hydration or degradation reactions in a volume of about 0.001 mm{sup 3}. It will be used to map out microstructural and property changes across reaction fronts, for example, with spatial resolution adequate to be input into other models (e.g., STADIUM{reg_sign}, LeachSX{trademark}) in the integrated CBP package. THAMES leverages thermodynamic predictions of equilibrium phase assemblages in aqueous geochemical systems to estimate 3-D virtual microstructures of a cementitious binder at different times during the hydration process or potentially during degradation phenomena. These virtual microstructures can then be used to calculate important engineering properties of a concrete made from that bindermore » at prescribed times. In this way, the THAMES model provides a way to calculate the time evolution of important material properties such as elastic stiffness, compressive strength, diffusivity, and permeability. Without this model, there would be no way to update microstructure and properties for the barrier materials considered as they are exposed to the environment, thus greatly increasing the uncertainty of long-term transport predictions. This Task 7 report demonstrates the current capabilities of THAMES. At the start of the CBP project, THAMES did not exist, so that it is in the early stages of development. However, extensive experience with 3-D microstructure models at NIST is making possible a timely development process.« less

Authors:
; ; ; ;
Publication Date:
Research Org.:
SRS
Sponsoring Org.:
USDOE
OSTI Identifier:
974333
Report Number(s):
CBP-TR-2010-007-C2
TRN: US1002535
DOE Contract Number:  
DE-AC09-08SR22470
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 12 MANAGEMENT OF RADIOACTIVE WASTES, AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES; T CODES; CEMENTS; CONCRETES; HYDRAULIC CONDUCTIVITY; MICROSTRUCTURE; MORPHOLOGICAL CHANGES; PERMEABILITY; ENVIRONMENTAL TRANSPORT; CORROSION; CONTAINMENT SYSTEMS; SIMULATORS

Citation Formats

Langton, C., Bullard, J., Stutzman, P., Snyder, K., and Garboczi, E. TASK 7 DEMONSTRATION OF THAMES FOR MICROSTRUCTURE AND TRANSPORT PROPERTIES. United States: N. p., 2010. Web. doi:10.2172/974333.
Langton, C., Bullard, J., Stutzman, P., Snyder, K., & Garboczi, E. TASK 7 DEMONSTRATION OF THAMES FOR MICROSTRUCTURE AND TRANSPORT PROPERTIES. United States. doi:10.2172/974333.
Langton, C., Bullard, J., Stutzman, P., Snyder, K., and Garboczi, E. Mon . "TASK 7 DEMONSTRATION OF THAMES FOR MICROSTRUCTURE AND TRANSPORT PROPERTIES". United States. doi:10.2172/974333. https://www.osti.gov/servlets/purl/974333.
@article{osti_974333,
title = {TASK 7 DEMONSTRATION OF THAMES FOR MICROSTRUCTURE AND TRANSPORT PROPERTIES},
author = {Langton, C. and Bullard, J. and Stutzman, P. and Snyder, K. and Garboczi, E.},
abstractNote = {The goal of the Cementitious Barriers Partnership (CBP) is to develop a reasonable and realible set of tools to reduce the uncertainty in predicting the structural, hydraulic and chemical performance of cement barriers used in nuclear applications that are exposed to dynamic environmental conditions over extended time frames. One of these tools, the responsibility of NIST, is THAMES (Thermodynamic Hydration and Microstructure Evolution Simulator), which is being developed to describe cementitious binder microstructures and calculate important engineering properties during hydration and degradation. THAMES is designed to be a 'micro-probe', used to evaluate changes in microstructure and properties occurring over time because of hydration or degradation reactions in a volume of about 0.001 mm{sup 3}. It will be used to map out microstructural and property changes across reaction fronts, for example, with spatial resolution adequate to be input into other models (e.g., STADIUM{reg_sign}, LeachSX{trademark}) in the integrated CBP package. THAMES leverages thermodynamic predictions of equilibrium phase assemblages in aqueous geochemical systems to estimate 3-D virtual microstructures of a cementitious binder at different times during the hydration process or potentially during degradation phenomena. These virtual microstructures can then be used to calculate important engineering properties of a concrete made from that binder at prescribed times. In this way, the THAMES model provides a way to calculate the time evolution of important material properties such as elastic stiffness, compressive strength, diffusivity, and permeability. Without this model, there would be no way to update microstructure and properties for the barrier materials considered as they are exposed to the environment, thus greatly increasing the uncertainty of long-term transport predictions. This Task 7 report demonstrates the current capabilities of THAMES. At the start of the CBP project, THAMES did not exist, so that it is in the early stages of development. However, extensive experience with 3-D microstructure models at NIST is making possible a timely development process.},
doi = {10.2172/974333},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2010},
month = {3}
}

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