25 citations · 61 across the 7 of their papers we have counts for
7 papers
Establishing relationship between an uniaxial pressure and an electric field shifting the Curie temperature in BaTiO crystals
E. Dul'kin, M. Roth
Shifting the Curie temperature in dependence on both uniaxial pressure and electric field in BaTiO crystals was studied based on literature data. It was shown that both these d…
Melting of hexane monolayers adsorbed on graphite: the role of domains and defect formation
C. Wexler, L. Firlej, B. Kuchta +1
We present the first large-scale molecular dynamics simulations of hexane on graphite that completely reproduces all experimental features of the melting transition. The canonical…
Cross-over mechanism of the melting transition in monolayers of alkanes adsorbed on graphite and the universality of energy scaling
L. Firlej, B. Kuchta, M. W. Roth +1
The interplay between the torsional potential energy and the scaling of the 1-4 van der Waals and Coulomb interactions determines the stiffness of flexible molecules. In molecular…
Molecular dynamics simulations of noble gas release from endohedral fullerene clusters
M. K. Balasubramanya, M. W. Roth, P. D. Tilton +1
We report the results of molecular dynamics simulations of the release of five species of noble gas atoms trapped inside a small cluster of fullerenes in the temperature range 4000…
Simulated Dynamics and Endohedral Relesase of Ne from Ne@C60 Clusters
P. Tilton, B. Suchy, M. K. Balasubramanya +1
Molecular Dynamics (MD) computer simulations are utilized to better understand the escape of neon from small (N=5) endohedral Ne@C60 clusters. Multiple runs at various temperatures…
On the Behavior of Hexane on Graphite at Near-Monolayer Densities
Cary L. Pint, M. W. Roth, Carlos Wexler
We present the results of molecular dynamics (MD) studies of hexane physisorbed onto graphite for eight coverages in the range (in units of monolayers). At lo…