385 citations · 617 across the 8 of their papers we have counts for
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A scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys
Babak Sadigh, Paul Erhart, Alexander Stukowski +3
We present an extension of the semi-grandcanonical (SGC) ensemble that we refer to as the variance-constrained semi-grandcanonical (VC-SGC) ensemble. It allows for transmutation Mo…
Short-range order and precipitation in Fe-rich Fe-Cr alloys: Atomistic off-lattice Monte Carlo simulations
Paul Erhart, Alfredo Caro, Magdalena Serrano de Caro +1
Short-range order (SRO) in Fe-rich Fe-Cr alloys is investigated by means of atomistic off-lattice Monte Carlo simulations in the semi-grand canonical ensemble using classical inter…
Are there stable long-range ordered Fe(1-x)Cr(x) compounds?
Paul Erhart, Babak Sadigh, Alfredo Caro
The heat of formation of Fe-Cr alloys undergoes an anomalous change of sign at small Cr concentrations. This observation raises the question whether there are intermetallic phases…