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Metastable alloys, such as $\beta$-phase titanium (Ti) alloys with a body-centered cubic (BCC) lattice, can exhibit exceptional mechanical properties through the interplay of multiple deformation mechanisms -- diffusionless phase…
In this work, we present an efficient framework that combines machine learning potential (MLP) and metadynamics to explore multi-dimensional free energy surfaces for investigating solid-solid phase transition. Based on the spectral…
Both simple and sophisticated models are frequently used in an attempt to understand how real nuclei breakup when subjected to large excitation energies, a process known as nuclear multifragmentation. Many of these models assume…
Consider a model of particles (nucleons) which has a two-body interaction which leads to bound composites with saturation properties. These properties are : all composites have the same density and the ground state energies of composites…
A model based on the classic non-interacting Ehrenfest urn model with two-urns is generalized to $M$ urns with the introduction of interactions for particles within the same urn. As the inter-particle interaction strength is varied, phases…
We consider the problem of heterogeneous nucleation and growth. The system is described by a phase field model in which the temperature is included through thermal noise. We show that this phase field approach is suitable to describe…
Aims. Numerical test-particle simulations are a reliable and frequently used tool to test analytical transport theories and to predict mean-free paths. The comparison between solutions of the diffusion equation and the particle flux is used…
Suspensions of purely repulsive but self-propelled Brownian particles might undergo phase separation, a phenomenon that strongly resembles the phase separation of passive particles with attractions. Here we employ computer simulations to…
A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for…
We report the status of a high-statistics Monte Carlo simulation of non-self-avoiding crystalline surfaces with extrinsic curvature on lattices of size up to $128^2$ nodes. We impose free boundary conditions. The free energy is a gaussian…
It is widely believed that heterogeneous nucleation occurs without an activation process when the surface is completely wettable. In this report, we review our previous work [J.Chem.Phys {\bf 134}, 234709 (2011)] to show that the critical…
Competition between ordered phases, and their associated phase transitions, are significant in the study of strongly correlated systems. Here we examine one aspect, the nonequilibrium dynamics of a photoexcited Mott-Peierls system, using an…
In the last decades, significant progress has been made in understanding the multiphase displacement through porous media with homogeneous wettability and its relation to the pore geometry. However, the role of wettability at the scale of…
The situation of the metastable phase decay on the several types of heterogeneous centers is considered. The iteration procedure is formulated and with the help of the avalanche consumption property all iterations can be calculated. The…
When a liquid melt is cooled, a glass or phase transition can be obtained depending on the cooling rate. Yet, this behavior has not been clearly captured in energy landscape models. Here a model is provided in which two key ingredients are…
Many enhanced sampling techniques rely on the identification of a number of collective variables that describe all the slow modes of the system. By constructing a bias potential in this reduced space one is then able to sample efficiently…
We investigate bulk thermodynamic and microscopic structural properties of amorphous solids in the framework of the phase-field crystal (PFC) model. These are metastable states with a non-uniform density distribution having no long-range…
Using the 2D Ising model we study the generic properties of nucleation in hydrophobic nanopores. To explore the pathways to nucleation of a spin-up phase from a metastable spin-down phase we perform umbrella sampling and transition path…
Agitated wet granular matter can be considered as a nonequilibrium model system for phase transitions, where the macroscopic particles replace the molecules and the capillary bridges replace molecular bonds. It is demonstrated…
The recent availability of routine medical data, especially in a university-clinical context, may enable the discovery of typical healthcare pathways, i.e., typical temporal sequences of clinical interventions or hospital readmissions.…