54 citations · 176 across the 6 of their papers we have counts for
6 papers
Revealing the role of nitrogen on hydride nucleation and stability in pure niobium using first principles calculations
P. Garg, S. Balachandran, I. Adlakha +3
Niobium provides the basis for all superconducting radio frequency (SRF) cavities in use, however, hydrogen is readily absorbed by niobium during cavity fabrication and subsequent…
Dislocation core properties of β-tin: A first-principles study
M. A. Bhatia, M. Azarnoush, I. Adlakha +2
Dislocation core properties of tin (β-Sn) were investigated using the semi-discrete variational Peierls-Nabarro model (SVPN). The SVPN model, which connects the continuum elasticit…
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…
Binding Energetics of Substitutional and Interstitial Helium and Di-Helium Defects with Grain Boundary Structure in alpha-Fe
M. A. Tschopp, F. Gao, L. Yang +1
The formation/binding energetics and length scales associated with the interaction between He atoms and grain boundaries in BCC alpha-Fe was explored. Ten different low Sigma grain…
Characterizing the local primary dendrite arm spacing in directionally-solidified dendritic microstructures
M. A. Tschopp, J. D. Miller, A. L. Oppedal +1
Characterizing the spacing of primary dendrite arms in directionally-solidified microstructures is an important step for developing process-structure-property relationships by enab…
Quantifying the Energetics and Length Scales of Carbon Segregation to Fe Symmetric Tilt Grain Boundaries Using Atomistic Simulations
N. R. Rhodes, M. A. Tschopp, K. N. Solanki
Segregation of impurities to grain boundaries plays an important role in both the stability and macroscopic behavior of polycrystalline materials. The research objective in this wo…