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The interdiffusion of a solvent into a polymer melt has been studied using large scale molecular dynamics and Monte Carlo simulation techniques. The solvent concentration profile and weight gain by the polymer have been measured as a…

Soft Condensed Matter · Physics 2009-11-10 Mesfin Tsige , Gary S. Grest

Protein-protein interactions comprise both transport and reaction steps. During the transport step, anisotropy of proteins and their complexes is important both for hydrodynamic diffusion and accessibility of the binding site. Using a…

Biomolecules · Quantitative Biology 2015-05-18 Jakob Schluttig , Christian B. Korn , Ulrich S. Schwarz

Under certain conditions, the dynamics of coarse-grained models of solvated proteins can be described using a Markov state model, which tracks the evolution of populations of configurations. The transition rates among states that appear in…

Soft Condensed Matter · Physics 2022-09-26 Margarita Colberg , Jeremy Schofield

We study the out-of-equilibrium behavior of statistical systems along critical relaxational flows arising from instantaneous quenches of the temperature $T$ to the critical point $T_c$, starting from equilibrium conditions at time $t=0$. In…

Statistical Mechanics · Physics 2024-06-11 Haralambos Panagopoulos , Ettore Vicari

We study the effects of spatially inhomogeneous diffusion on the non-equilibrium phase transition in the contact process. The directed-percolation critical point in the contact process is known to be stable against the addition of a…

Statistical Mechanics · Physics 2026-03-06 Valentin Anfray , Manisha Dhayal , Hong-Yan Shih , Thomas Vojta

We derive expressions for the first three moments of the decision time (DT) distribution produced via first threshold crossings by sample paths of a drift-diffusion equation. The "pure" and "extended" diffusion processes are widely used to…

Neurons and Cognition · Quantitative Biology 2016-01-26 Vaibhav Srivastava , Philip Holmes , Patrick Simen

We study the quenching dynamics of a many-body system in one dimension described by a Hamiltonian that has spatial periodicity. Specifically, we consider a spin-1/2 chain with equal xx and yy couplings and subject to a periodically varying…

Strongly Correlated Electrons · Physics 2015-06-03 Manisha Thakurathi , Wade DeGottardi , Diptiman Sen , Smitha Vishveshwara

We study the dynamics of protein folding via statistical energy-landscape theory. In particular, we concentrate on the local-connectivity case with the folding progress described by the fraction of native conformations. We obtain…

Soft Condensed Matter · Physics 2007-05-23 Chi-Lun Lee , Chien-Ting Lin , George Stell , Jin Wang

Recent very large molecular dynamics simulations of homogeneous nucleation with $(1-8) \cdot 10^9$ Lennard-Jones atoms [Diemand et al. J. Chem. Phys. {\bf 139}, 074309 (2013)] allow us to accurately determine the formation free energy of…

Atomic and Molecular Clusters · Physics 2015-06-19 Kyoko K. Tanaka , Jürg Diemand , Raymond Angélil , Hidekazu Tanaka

The long-time behavior of a reaction-diffusion front between one static (e.g. porous solid) reactant A and one initially separated diffusing reactant B is analyzed for the mean-field reaction-rate density R(\rho_A,\rho_B) =…

Chemical Physics · Physics 2009-10-31 Martin Z. Bazant , Howard A. Stone

We study the universal real-time relaxation behaviors of a long-range quantum XY chain following a quench. Our research includes both the noncritical and critical quench. In the case of noncritical quench, i.e., neither the initial state…

Statistical Mechanics · Physics 2023-12-05 Yu-Huang Huang , Yin-Tao Zou , Chengxiang Ding

We study kinetics of diffusion-limited catalytically-activated $A + B \to B$ reactions taking place in three dimensional systems, in which an annihilation of diffusive $A$ particles by diffusive traps $B$ may happen only if the encounter of…

Statistical Mechanics · Physics 2009-11-11 O. Bénichou , M. Coppey , M. Moerau , G. Oshanin

We discuss several qualitative properties of the solutions of reaction-diffusion systems and equations of the form $u_t = \epsilon^2 D \Delta u + f(u,x,\epsilon t)$, that are used in modeling pattern formation. We analyze the diffusion…

Molecular Networks · Quantitative Biology 2007-05-23 Ovidiu Radulescu , Sergei Vakulenko

Recent experiments have reported lower critical solution temperature (LCST) phase behavior of aqueous solutions of proteins induced by multivalent ions, where the solution phase separates upon heating. This phenomenon is linked to complex…

Soft Condensed Matter · Physics 2021-12-21 Anil Kumar Sahoo , Frank Schreiber , Roland R. Netz , Prabal K. Maiti

The spatial configurations of particles produced in the kinematic phase space during a heavy-ion collision reflect the characteristics of the system created in the collision. The scaling behaviour of the multiplicity fluctuations is studied…

High Energy Physics - Phenomenology · Physics 2026-05-25 Zarina Banoo , Ramni Gupta , Salman K. Malik , Fakhar Ul Haider , Balwan Singh , Sheetal Sharma

We derive a closed equation for the empirical concentration of colloidal particles in the presence of both hydrodynamic and direct interactions. The ensemble average of our functional Langevin equation reproduces known deterministic Dynamic…

Statistical Mechanics · Physics 2015-06-19 A. Donev , E. Vanden-Eijnden

Single molecule fluorescence tracking provides information at nm-scale and ms-temporal resolution about the dynamics and interaction of individual molecules in a biological environment. While the dynamic behavior of isolated molecules can…

Statistical Mechanics · Physics 2021-04-07 Horst-Holger Boltz , Alexei Sirbu , Nina Stelzer , Martin J. Lohse , Christof Schütte , Paolo Annibale

We study the formation of protein-protein encounter complexes with a Langevin equation approach that considers direct, steric and thermal forces. As three model systems with distinctly different properties we consider the pairs…

Biomolecules · Quantitative Biology 2009-11-13 Jakob Schluttig , Denitsa Alamanova , Volkhard Helms , Ulrich S. Schwarz

We investigate the reversible diffusion-influenced reaction of an isolated pair in the presence of a non-Markovian generalization of the backreaction boundary condition in two space dimensions. Following earlier work by Agmon and Weiss, we…

Mathematical Physics · Physics 2012-12-18 Thorsten Prüstel , Martin Meier-Schellersheim

We continue our study of the linear response of a nonequilibrium system. This Part II concentrates on models of open and driven inertial dynamics but the structure and the interpretation of the result remain unchanged: the response can be…

Statistical Mechanics · Physics 2010-05-02 Marco Baiesi , Eliran Boksenbojm , Christian Maes , Bram Wynants
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