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Cracking the whip accelerates the tail of a chain to hit the air loudly and clearly. We proved that the similar acceleration effect causes coil deformation of driven chain-like polymers. We first preformed Monte Carlo simulations of a…
We present a Monte Carlo model for degradation of 1-10,000 eV electrons in an atmosphere of methane. The electron impact cross sections for CH4 are compiled and analytical representations of these cross sections are used as input to the…
The influence of electron-electron scattering on the distribution function and transport characteristics of intrinsic monolayer graphene is investigated via an ensemble Monte Carlo simulation. Due to the linear dispersion relation in the…
Biological effects of proton and light ion irradiations have been studied in detail by analyzing published cell survival data with the help of the probabilistic two-stage radiobiological model. Probabilities of single ion tracks to induce…
Polymer electrolytes typically exhibit diminished ionic conductivity due to the presence of correlation effects between the cations and anions. Microscopically, transient ionic aggregates, e.g. {\it ion-pairs}, {\it ion-triplets} or higher…
Carbon-hydrogen plasmas and hydrocarbon materials are of broad interest to laser shock experimentalists, high energy density physicists, and astrophysicists. Accurate equations of state (EOS) of hydrocarbons are valuable for various studies…
This study evaluates the uncertainty in nanodosimetric calculations caused by variations in interaction cross sections within Monte Carlo Track Structure (MCTS) simulation codes. Nanodosimetry relies on accurately simulating particle…
We study the segmental dynamics of poly(ethylene oxide) (PEO) from microscopic simulations in the neat polymer and a polymer electrolyte (PEO/LiBF$_4$) by analyzing the normal modes. We verify the applicability of the Rouse theory,…
Electron transport within nanostructures can be important to varied engineering applications, such as thermoelectrics and nanoelectronics. In theoretical studies, electron Monte Carlo simulations are widely used as an alternative approach…
The charge of a polyelectrolyte (PE) controls myriads of phenomena in biology, biotechnology, and materials science, but still remains elusive from an understanding. Considering the adsorption of counterions on an isolated PE chain, an…
The absolute L subshell specific electron impact ionization cross sections near the ionization threshold (16 < E < 45 keV) of Lead and Thorium are obtained from the measured L X-ray production cross sections. Monte Carlo simulation is done…
We present Maxwellian-averaged effective collision strengths for the electron-impact excitation of S III over a wide range of electron temperatures of astrophysical importance, log T(K) = 3.0-6.0. The calculation incorporates 53…
We have measured the electronic energy-loss straggling of protons, helium, boron and silicon ions in silicon using a transmission time-of-flight approach. Ions with velocities between 0.25 and 1.6 times the Bohr velocity were transmitted…
Dynamic Monte Carlo simulations are used to study coupled transport (co-transport) through sub-nanometer-diameter pores. In this classic Hodgkin-Keynes mechanism, an ion species uses the large flux of an abundant ion species to move against…
We perform Monte Carlo simulations to study the elastic properties of the helix-coil worm-like chain model of alpha-helical polypeptides. In this model the secondary structure enters as a scalar (Ising like) variable that controls the local…
Tensile stress relaxation is combined with transmission electron microscopy to reveal dramatic changes in dislocation structure and sub structure in pure alpha iron as a result of the effects of dissolved hydrogen. We find that hydrogen…
Contamination of water by heavy metal ions represents a significant environmental concern. Among various remediation methods, chelation has proven to be an effective technique in water treatment processes. This study investigates the…
Effects of electron-beam processing on the structure and mechanical properties of poly-ether-ether ketone (PEEK) were studied by XRD and tribological tests. An ambiguous change in the mechanical properties of the irradiated samples was…
In this paper we present a classical Monte Carlo simulation of the orthorhombic phase of crystalline polyethylene, using an explicit atom force field with unconstrained bond lengths and angles and periodic boundary conditions. We used a…
Polymer electrolytes incorporating Li$_{10}$GeP$_{2}$S$_{12}$ (LGPS) nanoparticles show promise for solid-state lithium batteries owing to their enhanced ionic conductivity, though the governing mechanisms remain unclear. We combine…