相关论文: Computer simulation control of single crystal grow…
In this paper we would like give a short review of our recent works and current investigation in modeling of solid film surfaces growth based on computer Monte Carlo simulations. We also discuss effect of some simplification in growth rules…
By varying the parameters controlling the growth of crystals, including the thermodynamic variables, such as temperature, pressure, and reagent composition and the kinetic factors, namely reaction time and cooling rate, we found the most…
In this paper, we report dynamic Monte Carlo simulations of melting and crystallization in a single-chain system. Their free energy barriers are calculated by the umbrella sampling method and can be described well by a simple expression…
The aim of this work is to compute a level backstepping control strategy for a coupled tanks system. The coupled tanks plant is a component included in the water treatment system of power plants. The nonlinear-model of the process was…
This monograph reviews our current understanding of the physical dynamics of ice crystal growth, focusing on the spontaneous formation of complex structures from water vapor (called snow crystals) as a function of temperature,…
This paper presents the deductive formal verification of high-level properties of control systems with theorem proving, using the Why3 tool. Properties that can be verified with this approach include stability, feedback gain, and…
We present a dynamic coarse-graining technique that allows to simulate the mechanical unfolding of biomolecules or molecular complexes on experimentally relevant time scales. It is based on Markov state models (MSM), which we construct from…
We investigate crystal-growth kinetics in the presence of strong shear flow in the liquid, using molecular-dynamics simulations of a binary-alloy model. Close to the equilibrium melting point, shear flow always suppresses the growth of the…
We report a self-guided and "stimulated" single-crystal growth acceleration effect in static super-saturated aqueous solutions, producing inorganic (KH$_2$PO$_4$) and organic (tetraphenyl-phosphonium-family) nonlinear optical…
We report a computer simulation study of a model gel-former obtained by modifying the three-body interactions of the Stillinger-Weber potential for silicon. This modification reduces the average coordination number and consequently shifts…
The metastable vapor-liquid coexistence of short-range attractive fluids hinders the formation of crystal nuclei, which in turn makes difficult the progress of the system towards its vapor-solid ground state. In this letter we show that…
This paper presents a matrix of 206 snow crystal growth observations as a function of temperature and water vapor supersaturation in air, each illustrating the morphology and size of a crystal forming on the tip of an isolated c-axis ice…
A widely spread method of crystal preparation is to precipitate it from a supersaturated solution. In such a process, control of solution concentration is of paramount importance. Nucleation process, polymorph selection, and crystal habits…
In this paper, we report dynamic Monte Carlo simulation results on the crystallization of crystalline/crystalline (A/B) symmetric binary polymer blend, wherein the melting temperature of A-polymer is higher than B-polymer. Crystallization…
Let Delta F be the free energy difference between two equilibrium states of a system. An established method of numerically computing Delta F involves a single, long ``switching simulation'', during which the system is driven reversibly from…
Calculations of elastic and mechanical characteristics of non-crystalline solids are challenging due to high computation cost of $ab$ $initio$ methods and low accuracy of empirical potentials. We propose a computational technique towards…
The structural and dynamic properties of silica melts under high pressure are studied using molecular dynamics (MD) computer simulation. The interactions between the ions are modeled by a pairwise-additive potential, the so-called CHIK…
We used molecular dynamics simulations to predict the steady state crystal shape of naphthalene grown from ethanol solution. The simulations were performed at constant supersaturation by utilizing a recently proposed algorithm [Perego et…
The process of fracture in ductile metals involves the nucleation, growth, and linking of voids. This process takes place both at the low rates involved in typical engineering applications and at the high rates associated with dynamic…
Cell growth in size is a complex process coordinated by intrinsic and environmental signals. In a recent work [Tzur et al., Science, 2009, 325:167-171], size distributions in an exponentially growing population of mammalian cells were used…