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Research| Computational Radiation Material Science

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One of the most difficult challenges in computational materials science is to simulate, accurately and efficiently, the interaction of radiation with matter (particle transport or radiation transport processes). However, such understanding is essential to diffuse threats of nuclear terrorism (WMD), develop next generation (Gen IV) nuclear reactors and nuclear submaries. In this project, we adopt a multiscale computational strategy that links twenty orders of magnitude time scale and ten orders of magnitude spatial scale employing ab intio, molecular dynamic, Monte Carlo and multilevel finite element methods in conjunction as well as in isolation to address this problem.

 

Recent projects

Multiscale modeling of the effects of neutron irradiation of FCC and BCC materials: The goal of this research is to predict the mechanical response of FCC and BCC metals under neutron irradiation at the continuum level. While it is known that material properties degrade as a result of neutron irradiation, recent experimental evidence indicates that FCC and BCC metals behave in different ways which are yet to be explained. The drawback of existing methods is that they assume some form of constitutive equation at the continuum level, which is not straightforward for complex nonlinear processes such as material yield and is limited to the regime of their calibration. The objective of our approach is to eliminate this major deficiency and allow seamless coupling between disparate time and length scales without assuming any explicit constitutive format at the continuum scale. The Self Consistent Multiscale Method (SMM) is being developed for this application (ref. schematic below).

Sponsors: DTRA :HDTRA1-08-10-BRCWMD

Investigators:

Suvranu De, DSc.

Hanchen Huang, PhD (University of Connecticut)

Shree Krishna, PhD

Rahul, MS