Michael Widom

Sep 5, 2024 | nature.com | Piter Gargarella |Guilherme Stumpf |Michael Widom |Michael Kaufman |Yifan Cao |Rodrigo Freitas | +3 more

AbstractChemical Short-Range Order (CSRO) has attracted recent attention from many researchers, creating intense debates about its impact on material properties. The challenges lie in confirming and quantifying CSRO, as its detection proves exceptionally demanding, contributing to conflicting data in the literature regarding its true effects on mechanical properties.

Aug 7, 2024 | link.aps.org | Yang Huang |Carnegie Mellon |Michael Widom |Slovak Academy

Atomic structures of Al-Co-Cu decagonal quasicrystals (dQCs) are investigated using empirical oscillating pair potentials (EOPP) in molecular dynamic (MD) simulations that we enhance by Monte Carlo (MC) swapping of chemical species and replica exchange. Predicted structures exhibit planar decagonal tiling patterns and are periodic along the perpendicular direction.

Mar 26, 2024 | link.aps.org | Yang Huang |Carnegie Mellon |Michael Widom

Liquid state entropy formulas based on configurational probability distributions are examined for Lennard-Jones fluids across a range temperatures and densities. These formulas are based on expansions of the entropy in a series of n-body distribution functions. We focus on two special cases.

Oct 16, 2023 | onlinelibrary.wiley.com | Michael Widom

1 Introduction This review surveys the past and present state of quasicrystal structure prediction. We address several aspects of this problem. First, we consider how the very existence of a quasicrystal could be anticipated, in the absence of prior experimental observation. Second, restricting our attention to metallic alloys, we address methods to predict the structure of a specific quasicrystalline phase given basic information concerning composition and lattice parameters.