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Kinetic Monte Carlo models parameterized by first principles calculations are widely used to simulate atomic diffusion. However, accurately predicting the activation energies for diffusion in substitutional alloys remains challenging due to…

Chemical Physics · Physics 2021-02-03 Chenyang Li , Thomas Nilson , Liang Cao , Tim Mueller

We present a model for sticky particles in which cluster sizes after a reaction have $\ell$ fewer total particles than the sum of their reactants. The finite particle system is modeled as a Markov process under a mean-field assumption for…

Analysis of PDEs · Mathematics 2026-04-16 Joseph Klobusicky , Matthew Rakauskas

The concept of (auto)catalytic systems has become a cornerstone in understanding evolutionary processes in various fields. The common ground is the observation that for the production of new species/goods/ideas/elements etc. the…

Populations and Evolution · Quantitative Biology 2009-11-13 Rudolf Hanel , Peter Klimek , Stefan Thurner

We used molecular dynamics simulations and the path sampling technique known as forward flux sampling to study homogeneous nucleation of NaCl crystals from supersaturated aqueous solutions at 298 K and 1 bar. Nucleation rates were obtained…

Chemical Physics · Physics 2018-02-14 Hao Jiang , Amir Haji-Akbari , Pablo G. Debenedetti , Athanassios Z. Panagiotopoulos

We explore several models of QCD evolution equations simplified by considering only the rapidity dependence of dipole scattering amplitudes, while provisionally neglecting their dependence on transverse coordinates. Our main focus is on the…

High Energy Physics - Phenomenology · Physics 2009-11-11 P. Rembiesa , A. M. Stasto

We obtain, by starting from the balance laws of a continuum endowed with a vectorial microstructure and with a suitable thermodynamics, the evolution equation for the excitation carriers in scintillating crystals. These equations, coupled…

Materials Science · Physics 2018-06-05 Fabrizio Davì

Nano-plasmas produced, e.g. in clusters after short-pulse laser irradiation, can show collective excitations as derived from the time evolution of fluctuations in thermodynamic equilibrium. Molecular dynamical simulations are performed for…

Plasma Physics · Physics 2018-01-17 H. Reinholz , G. Röpke , I. Broda , I. Morozov , R. Bystryi , Y. Lavrinenko

This article is devoted to a generalized version of Smoluchowski's coagulation equation. This model describes the time evolution of a system of aggregating particles under the effect of external input and output particles. We show that for…

Analysis of PDEs · Mathematics 2023-06-16 Prasanta Kumar Barik , Asha K. Dond , Rakesh Kumar

In a series of three papers, we introduced a novel cluster formation model that describes the formation, growth, and disruption of star clusters in high-resolution cosmological simulations. We tested this model on a Milky Way-sized galaxy…

Astrophysics of Galaxies · Physics 2020-03-18 Hui Li , Oleg Gnedin

We consider the homogenisation of a coupled reaction-diffusion process in a porous medium with evolving microstructure. A concentration-dependent reaction rate at the interface of the pores with the solid matrix induces a…

Analysis of PDEs · Mathematics 2022-06-01 David Wiedemann , Malte A. Peter

We present a novel way of performing kinetic Monte Carlo simulations which does not require an {\it a priori} list of diffusion processes and their associated energetics and reaction rates. Rather, at any time during the simulation,…

Materials Science · Physics 2009-11-11 Oleg Trushin , Altaf Karim , Abdelkader Kara , Talat S. Rahman

We investigate submonolayer epitaxial growth with a fixed monomer flux and irreversible aggregation of adatom islands due to their effective diffusion. When the diffusivity D_k of an island of mass k is proportional to k^{-\mu}, a…

Statistical Mechanics · Physics 2009-10-30 P. L. Krapivsky , J. F. F. Mendes , S. Redner

We present an experimental study on the collective behavior of macroscopic self-propelled particles that are externally excited by light. This property allows testing the system response to the excitation intensity in a very versatile…

Soft Condensed Matter · Physics 2025-09-03 Sára Lévay , Axel Katona , Hartmut Löwen , Raúl Cruz Hidalgo , Iker Zuriguel

Nanoclusters can form and grow by nanocluster-monomer (condensation) and nanocluster-nanocluster (coagulation) collisions. During growth, product nanoclusters have elevated thermal energies due to potential and thermal energy exchange…

Computational Physics · Physics 2020-03-18 Huan Yang , Yannis Drossinos , Christopher J. Hogan

The processes of simultaneous coagulation and Ostwald ripening of particles in the concluding stage of phase transformation are considered. We solve the integro-differential system of Smoluchowski-type kinetic and mass balance equations…

Numerical Analysis · Mathematics 2026-01-21 Robert T. Zaks , Sergey A. Matveev , Margarita A. Nikishina , Dmitri V. Alexandrov

Coagulation and fragmentation (CF) is a fundamental process by which particles attach to each other to form clusters while existing clusters break up into smaller ones. It is a ubiquitous process that plays a key role in many physical and…

Statistical Mechanics · Physics 2020-12-22 Farid Manuchehrfar , Wei Tian , Tom Chou , Jie Liang

A study of the self-organization of vacancy clusters in irradiated materials is presented. Using a continuum stochastic model we take into account dynamics of point defects and their sinks with elastic interactions of vacancies. Dynamics of…

Statistical Mechanics · Physics 2016-06-29 Dmitrii O. Kharchenko , Vasyl O. Kharchenko , Anna I. Bashtova

The liquid-gas transition in free atomic clusters is investigated theoretically based on simple unimolecular rate theories and assuming sequential evaporations. A kinetic Monte Carlo scheme is used to compute the time-dependent properties…

Atomic and Molecular Clusters · Physics 2009-11-10 F. Calvo

We consider a one--spatial dimensional tumour growth model [2, 3, 4] that consists of three dependent variables of space and time: volume fraction of tumour cells, velocity of tumour cells, and nutrient concentration. The model variables…

Numerical Analysis · Mathematics 2020-07-01 Jerome Droniou , Neela Nataraj , Gopikrishnan Chirappurathu Remesan

We consider Smoluchowski's coagulation equation with a kernel of the form $K = 2 + \epsilon W$, where $W$ is a bounded kernel of homogeneity zero. For small $\epsilon$, we prove that solutions approach a universal, unique self-similar…

Analysis of PDEs · Mathematics 2019-10-18 José A. Cañizo , Sebastian Throm