128 citations · 686 across the 16 of their papers we have counts for
16 papers
An Efficient Monte Carlo Algorithm for Determining the Minimum Energy Structures of Metallic Grain Boundaries
Arash Dehghan Banadaki, Mark A. Tschopp, Srikanth Patala
Sampling minimum energy grain boundary (GB) structures in the five-dimensional crystallographic phase space can provide much-needed insight into how GB crystallography affects vari…
Quantifying structure-property relationships during resistance spot welding of an aluminum 6061-T6 joint
S. A. Turnage, K. A. Darling, M. Rajagopalan +4
Microstructure-property relationships of resistance spot welded 6061-T6 aluminum alloy lap joints were investigated via mechanical testing and microscopy techniques. Quasi-static t…
On Stress-Strain Responses and Young's Moduli of Single Alkane Molecules, A Molecular Mechanics Study Using the Modified Embedded-Atom Method
Sasan Nouranian, Steven R. Gwaltney, Michael I. Baskes +2
In this work, molecular mechanics simulations were performed using a modified embedded-atom method (MEAM) potential to generate the stress-strain responses of a series of n-alkane…
Binding of HeV Clusters to -Fe Grain Boundaries
M. A. Tschopp, F. Gao, K. N. Solanki
The objective of this research is to explore the formation/binding energetics and length scales associated with the interaction between HeV clusters and grain boundaries in bcc…
Atomic-scale analysis of liquid-gallium embrittlement of aluminum grain boundaries
M. Rajagopalan, M. A. Bhatia, K. N. Solanki +2
In this work, we explore the role of atomistic-scale energetics on liquid-metal embrittlement of Al due to Ga. Ab initio and molecular mechanics were employed to probe the binding…
Grain boundary segregation of interstitial and substitutional impurity atoms in alpha-iron
M. Rajagopalan, M. A. Tschopp, K. N. Solanki
The macroscopic behavior of polycrystalline materials is influenced by the local variation of properties caused by the presence of impurities and defects. The effect of these impur…