Related papers: Kinetic Theory of the Overlapping Phase Transforma…
The spatial distribution and morphology of precipitates formed during aging are key factors that determine the precipitation hardening response of various magnesium-rare earth alloys. In recent years, the use of high-performance computing…
We investigate the potential of numerical algorithms to decipher the kinetic parameters involved in multi-step chemical reactions. To this end we study a dimerization kinetics of protein as a model system. We follow the dimerization…
Additive manufacturing (AM) processes produce parts with improved physical, chemical, and mechanical properties compared to conventional manufacturing processes. In AM processes, intricate part geometries are produced from multicomponent…
The formation and field-induced switching of defect dipoles in acceptor doped lead titanate is described by a kinetic model representing an extension of the well established Arlt-Neumann model [Ferroelectrics {\bf 76}, 303 (1987)]. Energy…
The finite duration of collisions appear as time-nonlocality in the kinetic equation. Analyzing the corresponding quantum kinetic equation for dense interacting Fermi systems a delay differential equation is obtained which combines time…
The influence of strain amplitude, glass stability and thermal fluctuations on shear band formation and yielding transition is studied using molecular dynamics simulations. The model binary mixture is first gradually cooled below the glass…
A model for phase transitions initiated on grain boundaries is proposed and tested against numerical simulations: this approach based on a grain explicit model (GEM) allows to consider the granular structure, yielding accurate predictions…
In a real system the heating is nonuniform and a second-order phase transition into a broken symmetry phase occurs by propagation of the temperature front. Two parameters, the cooling rate $\tau_Q$ and the velocity $v_T$ of the transition…
Many features of multiparticle production in ultra-relativistic nuclear collisions reflect the collision geometry and other collision characteristics determining the initial conditions. As the initial conditions affect to a different degree…
We develop a stochastic approach for describing 3D-phase transformations ruled by time-dependent correlated nucleation at solid surfaces. The kinetics is expressed as a series of correlation functions and, at odds with modeling based on…
Temperature is a fundamental regulator of chemical and biochemical kinetics, yet capturing nonlinear thermal effects directly from experimental data remains a major challenge due to limited throughput and model flexibility. Recent advances…
The dynamics of glass formation in monatomic and binary liquids are studied numerically using a microscopic field theory for the evolution of the time-averaged atomic number density. A stochastic framework combining phase field crystal free…
The consistent and computationally efficient stochastic statistical approach (SSA) is suggested to study kinetics of nucleation and evolution of nano-sized precipitates in alloys. An important parameter of the theory is the size of locally…
A review is given on some recent developments in the theory of the Ising model in a random field. This model is a good representation of a large number of impure materials. After a short repetition of earlier arguments, which prove the…
In the present contribution, we derive from kinetic theory a unified fluid model for multicomponent plasmas by accounting for the electromagnetic field influence. We deal with a possible thermal nonequilibrium of the translational energy of…
Recognition of the role of extended defects on local phase transitions has led to the conceptualization of the defect phase, localized thermodynamically stable interfacial states that have since been applied in a myriad of material systems…
The kinetics of dislocation reactions, such as dislocation multiplication, controls the plastic deformation in crystals beyond their elastic limit, therefore critical mechanisms in a number of applications in materials science. We present a…
Nucleation is an activated process in which the system has to overcome a free energy barrier in order for a first-order phase transition between the metastable and the stable phases to take place. In the liquid-to-solid transition the…
The earlier-developed master equation approach and kinetic cluster methods are applied to study kinetics of L1_0 type orderings in alloys, including the formation of twinned structures characteristic of cubic-tetragonal-type phase…
Using molecular dynamics simulations we study the thermodynamic behavior of a single-component covalent material described by the recently proposed Environment-Dependent Interatomic Potential (EDIP). The parameterization of EDIP for silicon…