67 citations · 356 across the 24 of their papers we have counts for
24 papers
Simulated surface diffusion in nanoporous gold and its dependence on surface curvature
Conner Marie Winkeljohn, Sadi Md Shahriar, Erkin Seker +1
The morphological evolution of nanoporous gold is generally believed to be governed by surface diffusion. This work specifically explores the dependence of mass transport by surfac…
Energetic contributions to deformation twinning in magnesium
Enver Kapan, Sertan Alkan, C. Can Aydıner +1
Modeling deformation twin nucleation in magnesium has proven to be a challenging task. In particular, the absence of a heterogeneous twin nucleation model which provides accurate e…
Dependence of simulated radiation damage on crystal structure and atomic misfit in metals
Jared C. Stimac, Chad Serrao, Jeremy K. Mason
This study investigates radiation damage in three metals in the low temperature and high radiant flux regime using molecular dynamics and a Frenkel pair accumulation method to simu…
Energy storage under high-rate compression of single crystal tantalum
Jared C. Stimac, Nicolas Bertin, Jeremy K. Mason +1
When a material is plastically deformed the majority of mechanical work is dissipated as heat, and the fraction of plastic work converted into heat is known as the Taylor-Quinney c…
A geometric conjecture about phase transitions
O. B. Ericok, J. K. Mason
As phenomena that necessarily emerge from the collective behavior of interacting particles, phase transitions continue to be difficult to predict using statistical thermodynamics.…
Comparison of evolving interfaces, triple points, and quadruple points for discrete and diffuse interface methods
Erdem Eren, Brandon Runnels, Jeremy Mason
The evolution of interfaces is intrinsic to many physical processes ranging from cavitation in fluids to recrystallization in solids. Computational modeling of interface motion ent…
Foundations of a Finite Non-Equilibrium Statistical Thermodynamics: Extrinsic Quantities
O. B. Ericok, J. K. Mason
Statistical thermodynamics is valuable as a conceptual structure that shapes our thinking about equilibrium thermodynamic states. A cloud of unresolved questions surrounding the fo…
A constant of motion for ideal grain growth in three dimensions
Erdem Eren, Jeremy Kyle Mason
Most metallic and ceramic materials are comprised of a space-filling collection of crystalline grains separated by grain boundaries. While this grain structure has been studied for…
Configuration spaces of hard spheres
O. B. Ericok, K. Ganesan, J. K. Mason
Hard sphere systems are often used to model simple fluids. The configuration spaces of hard spheres in a three-dimensional torus modulo various symmetry groups are comparatively si…
Topological transitions during grain growth on a finite element mesh
Erdem Eren, Jeremy K. Mason
The topological transitions that occur to the grain boundary network during grain growth in a material with uniform grain boundary energies are believed to be known. The same is no…
Quotient Maps and Configuration Spaces of Hard Disks
O. B. Ericok, J. K. Mason
Hard disks systems are often considered as prototypes for simple fluids. In a statistical mechanics context, the hard disk configuration space is generally quotiented by the action…
Classification of atomic environments via the Gromov-Wasserstein distance
Sakura Kawano, Jeremy K. Mason
Interpreting molecular dynamics simulations usually involves automated classification of local atomic environments to identify regions of interest. Existing approaches are generall…
Distribution of Topological Types in Grain-Growth Microstructures
Emanuel A. Lazar, Jeremy K. Mason, Robert D. MacPherson +1
An open question in studying normal grain growth concerns the asymptotic state to which microstructures converge. In particular, the distribution of grain topologies is unknown. We…
Statistical Topology of Bond Networks with Applications to Silica
Benjamin Schweinhart, David Rodney, Jeremy Mason
Whereas knowledge of a crystalline material's unit cell is fundamental to understanding the material's properties and behavior, there are not obvious analogues to unit cells for di…
Basis functions on the grain boundary space: Theory
Jeremy K. Mason, Srikanth Patala
With the increasing availability of experimental and computational data concerning the properties and distribution of grain boundaries in polycrystalline materials, there is a corr…
Continuous and Optimally Complete Description of Chemical Environments Using Spherical Bessel Descriptors
Emir Kocer, Jeremy K. Mason, Hakan Erturk
Recently, machine learning potentials have been advanced as candidates to combine the high-accuracy of quantum mechanical simulations with the speed of classical interatomic potent…
A Novel Approach to Describe Chemical Environments in High Dimensional Neural Network Potentials
Emir Kocer, Jeremy K. Mason, Hakan Erturk
A central concern of molecular dynamics simulations are the potential energy surfaces that govern atomic interactions. These hypersurfaces define the potential energy of the system…
Improved conditioning of the Floater--Hormann interpolants
Jeremy K. Mason
The Floater--Hormann family of rational interpolants do not have spurious poles or unattainable points, are efficient to calculate, and have arbitrarily high approximation orders.…
Roundness of grains in cellular microstructures
Frank H. Lutz, Jeremy K. Mason, Emanuel A. Lazar +1
Many physical systems are composed of polyhedral cells of varying sizes and shapes. These structures are simple in the sense that no more than three faces meet at an edge and no mo…
Geometric and topological properties of the canonical grain growth microstructure
Jeremy K. Mason, Emanuel A. Lazar, Robert D. MacPherson +1
Many physical systems can be modeled as large sets of domains "glued" together along boundaries - biological cells meet along cell membranes, soap bubbles meet along thin films, co…
Topological Similarity of Random Cell Complexes and Applications
Benjamin Schweinhart, Jeremy Mason, Robert MacPherson
Although random cell complexes occur throughout the physical sciences, there does not appear to be a standard way to quantify their statistical similarities and differences. The va…
Statistical Topology of Three-Dimensional Poisson-Voronoi Cells and Cell Boundary Networks
Emanuel A. Lazar, Jeremy K. Mason, Robert D. MacPherson +1
Voronoi tessellations of Poisson point processes are widely used for modeling many types of physical and biological systems. In this paper, we analyze simulated Poisson-Voronoi str…
Complete topology of cells, grains, and bubbles in three-dimensional microstructures
Emanuel A. Lazar, Jeremy K. Mason, Robert D. MacPherson +1
We introduce a general, efficient method to completely describe the topology of individual grains, bubbles, and cells in three-dimensional polycrystals, foams, and other multicellu…
Computational topology for configuration spaces of hard disks
Gunnar Carlsson, Jackson Gorham, Matthew Kahle +1
We explore the topology of configuration spaces of hard disks experimentally, and show that several changes in the topology can already be observed with a small number of particles…