Related papers: Amino acid chiral amplification using Monte Carlo …
A thermodynamic argument has been developed which relates the chirality of the constituents of a mixture of enantiomers to the system excess volume, and thereby to its Gibbs free enthalpy. A specific connection is shown between the excess…
The homochirality of biomolecules remains one of the outstanding puzzles concerning the beginning of life. Chiral amplification of a randomly perturbed racemic mixture of chiral molecules is a well-accepted prerequisite for all routes to…
The stability and conservation properties of a recently proposed polymerization model are studied. The achiral (racemic) solution is linearly unstable once the relevant control parameter (here the fidelity of the catalyst) exceeds a…
Understanding the condensed-phase behavior of chiral molecules is important in biology, as well as in a range of technological applications, such as the manufacture of pharmaceuticals. Here, we use molecular dynamics simulations to study a…
A Monte Carlo study of the late time growth of $L1_2$ ordered domains on a fcc $A_3B$ binary alloy is presented. The energy of the alloy has been modeled by a nearest neighbor interaction Ising hamiltonian. The system exhibits a fourfold…
We present a differential rate equation model of chiral polymerization based on a simple copolymerization scheme in which the enantiomers are added to, or removed from, the homochiral or heterochiral chains (reversible stepwise isodesmic…
Diffusion effect on chirality selection in a two-dimensional reaction-diffusion model is studied by the Monte Carlo simulation. The model consists of achiral reactants A which turn into either of the chiral products, R or S, in a solvent of…
We introduce and numerically solve a mathematical model of the experimentally established mechanisms responsible for the symmetry breaking transition observed in the chiral crystallization experiments reported by I. Weissbuch, L. Addadi, L.…
Detection of chiral molecules requires amplification of chirality to measurable levels. Typically, amplification mechanisms are considered at the microscopic scales of individual molecules and their aggregates. Here we demonstrate chirality…
We present a fast Monte-Carlo algorithm for simulating epitaxial surface growth, based on the continuous-time Monte-Carlo algorithm of Bortz, Kalos and Lebowitz. When simulating realistic growth regimes, much computational time is consumed…
The real-time dynamics of chiral phase transition is investigated in a two-flavor ($N_f=2$) soft-wall AdS/QCD model. To understand the dynamics of thermalization, we quench the system from initial states deviating from the equilibrium…
Starting from the chemical master equation, we employ field theoretic techniques to derive Langevin-type equations that exactly describe the stochastic dynamics of the Frank chiral amplification model with spatial diffusion. The intrinsic…
Liquid crystal mesophases of achiral molecules are normally achiral, yet in a few materials they spontaneously segregate and form right- and left-handed chiral domains. One mechanism that drives chiral segregation is molecular shape…
In this work we report on kinetic Monte-Carlo calculations of resistive switching and the underlying growth dynamics of filaments in an electrochemical metallization device consisting of an Ag/TiO2/Pt sandwich-like thin film system. The…
Competing phases or interactions in complex many-particle systems can result in free energy barriers that strongly suppress thermal equilibration. Here we discuss how extended ensemble Monte Carlo simulations can be used to study the…
Local scale invariance (LSI) has been recently proposed as a possible extension of the dynamical scaling in systems at the critical point and during phase ordering. LSI has been applied inter alia to provide predictions for the scaling…
We study the QCD phase diagram in the strong coupling limit with fluctuation effects by using the auxiliary field Monte-Carlo method. We apply the chiral angle fixing technique in order to obtain finite chiral condensate in the chiral limit…
We develop a coarse grained (CG) approach for efficiently simulating calcium dynamics in the endoplasmic reticulum membrane based on a fine stochastic lattice gas model. By grouping neighboring microscopic sites together into CG cells and…
Recently the first chemical systems which show the amplification of enantiometric excess (ee) was found. Inspired by these experiments, we propose a few chemical reaction models in a closed system. The reactions consist of autocatalytic…
Mandelic acid is an enantiomer of interest in many areas, in particular for the pharmaceutical industry. One of the approaches to produce enantiopure mandelic acid is through crystallization from an aqueous solution. We propose in this…