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cond-mat.mtrl-sci2016
Estimating yield-strain via deformation-recovery simulations
Paul N. Patrone, Samuel Tucker, Andrew Dienstfrey
In computational materials science, predicting the yield strain of crosslinked polymers remains a challenging task. A common approach is to identify yield as the first critical poi…
cond-mat.mtrl-sci2016
Beyond histograms: efficiently estimating radial distribution functions via spectral Monte Carlo
Thomas W. Rosch, Paul N. Patrone
Despite more than 40 years of research in condensed-matter physics, state-of-the-art approaches for simulating the radial distribution function (RDF) g(r) still rely on binning pai…