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We present a systematic and reliable methodology, termed hierarchical mean-field theory (HMFT), to study and predict the behavior of strongly coupled many-particle systems. HMFT is a simple approximation, based upon group theoretical…
We present a mathematical formulation of a multiscale model for solidification with convective flow in the liquid phase. The model is an extension of the dendritic needle network approach for crystal growth in a binary alloy. We propose a…
The Flory-Huggins theory describes the phase separation of solutions containing polymers. Although it finds widespread application from polymer physics to materials science to biology, the concentrations that coexist in separate phases at…
Solidification is an important process in many alloy processing routes. The solidified microstructure of alloys is usually made up of dendrites, eutectics or a combination of both. The evolving morphologies are largely determined by the…
We present adaptive finite element simulations of dendritic and eutectic solidification in binary and ternary alloys. The computations are based on a recently formulated phase-field model that is especially appropriate for modelling…
A large panel of old and recently proposed exchange-correlation functionals belonging to rungs 1 to 4 of Jacob's ladder of density functional theory are tested (with and without a dispersion correction term) for the calculation of the…
Many processes of scientific and technological interest are characterized by time scales that render their simulation impossible if one uses present day simulation capabilities. To overcome this challenge a variety of enhanced simulation…
High-harmonic generation (HHG) in solids has rapidly emerged as a promising platform for creating compact attosecond sources and probing ultrafast electron dynamics. Resonant metasurfaces are essential for enhancement of the otherwise small…
The concept of off-diagonal geometric phases for mixed quantal states in unitary evolution is developed. We show that these phases arise from three basic ideas: (1) fulfillment of quantum parallel transport of a complete basis, (2) a…
In this paper, we study a system of three evolutionary operator equations involving fractional powers of selfadjoint, monotone, unbounded, linear operators having compact resolvents. This system constitutes a generalized and relaxed version…
Unfolding, for example of distortions imparted by detectors, provides suitable and publishable representations of LHC data. Many methods for unbinned and high-dimensional unfolding using machine learning have been proposed, but no…
We present a new multiphase-field theory for describing pattern formation in multi-domain and/or multi-component systems. The construction of the free energy functional and the dynamic equations is based on criteria that ensure mathematical…
We present a hydro-geomechanical model for subsurface methane hydrate systems. Our model considers kinetic hydrate phase change and non-isothermal, multi-phase, multi-component flow in elastically deforming soils. The model accounts for the…
We study existence of solutions in the variational sense for a class of stochastic phase-field models describing moving boundary problems. The models consist of stochastic reaction-diffusion equations with singular diffusion forced by a…
We present predictions and postdictions for a wide variety of hard jet-substructure observables using a multistage model within the JETSCAPE framework. The details of the multistage model and the various parameter choices are described in…
The width of the distribution of species in a polydisperse system is employed in a small-variable expansion, to obtain a well-controlled and compact scheme by which to calculate phase equilibria in multi-phase systems. General and universal…
It is demonstrated that under common conditions a molecular solid subject to Jahn-Teller interactions supports stable Q-ball-like non-topological solitons. Such solitons represent a localized lump of excess electric charge in periodic…
We analyze the effect of interphase boundary anisotropy on the dynamics of lamellar eutectic solidification fronts, in the limit that the lamellar spacing varies slowly along the envelope of the front. In the isotropic case, it is known…
The problem of hadronic cluster production in heavy-ion collisions is studied in search for an observable signature of first-order quark-hadron phase transition. The study is carried out by cellular automata in a two-dimensional model of…
The convergence to the self-consistency in the dynamical-mean-field-theory (DMFT) calculations for models of correlated electron systems can be significantly accelerated by using an appropriate mixing of hybridization functions which are…