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In the thermodynamic limit the ratio of system size to thermal de Broglie wavelength tends to infinity and the volume per particle of the system is constant. Our familiar Bose-Einstein statistics is absolutely valid in the thermodynamic…

Statistical Mechanics · Physics 2009-11-19 Shyamal Biswas

We perform a generalized-ensemble simulation of a small peptide taking the interactions among all atoms into account. From this simulation we obtain thermodynamic quantities over a wide range of temperatures. In particular, we show that the…

Chemical Physics · Physics 2009-10-31 Ulrich H. E. Hansmann , Masato Masuya , Yuko Okamoto

Motivated by recent experiments [Lee et al. Nature 498, 209 (2013)], we present here a detailed theoretical analysis of the Joule heating in current-carrying single-molecule junctions. By combining the Landauer approach for quantum…

We study the abundance of a particle species in a thermalized plasma by introducing a quantum kinetic description based on the non-equilibrium effective action. A stochastic interpretation of quantum kinetics in terms of a Langevin equation…

High Energy Physics - Phenomenology · Physics 2009-11-10 D. Boyanovsky , K. Davey , C. M. Ho

Temperature imaging of nanoscale systems is a fundamental problem which has myriad potential technological applications. For example, nanoscopic cold spots can be used for spot cooling electronic components while hot spots could be used for…

Mesoscale and Nanoscale Physics · Physics 2020-03-04 Abhay Shastry , Sosuke Inui , Charles A. Stafford

We study the behavior of an assembly of $N$ granular particles contained in two compartments within a simple kinetic approach. The particles belonging to each compartment collide inelastically with each other and are driven by a stochastic…

Statistical Mechanics · Physics 2009-11-10 U. Marini Bettolo Marconi , A. Puglisi

When fluids of anisotropic molecules are placed in temperature gradients, the molecules may align themselves along the gradient: this is called thermo-orientation. We discuss the theory of this effect in a fluid of particles that interact…

Statistical Mechanics · Physics 2019-04-02 Robert L. Jack , Peter Wirnsberger , Aleks Reinhardt

We use the concept of resonant tunneling to calculate the thermopower of molecular nanosystems. It turns out that the sign of the thermovoltage under resonant tunneling conditions depends sensitively on the participating molecular orbital,…

Mesoscale and Nanoscale Physics · Physics 2011-09-05 Vladimir N. Ermakov , Sergei P. Kruchinin , Hyun Taki Kim , Thomas Pruschke

We show that macroscopic irreversible thermodynamics for viscous fluids can be derived from exact information-theoretic thermodynamic identities valid at the microscale. Entropy production, in particular, is a measure of the loss of…

Statistical Mechanics · Physics 2025-02-17 Danilo Forastiere , Francesco Avanzini , Massimiliano Esposito

Using molecular dynamics simulations we study the slow dynamics of a hard sphere fluid confined in a disordered porous matrix. The presence of both discontinuous and continuous glass transitions as well as the complex interplay between…

Soft Condensed Matter · Physics 2009-09-29 Jan Kurzidim , Daniele Coslovich , Gerhard Kahl

We investigate the thermopower of single molecules weakly coupled to metallic leads. We model the molecule in terms of the relevant electronic orbitals coupled to phonons corresponding to both internal vibrations and to oscillations of the…

Mesoscale and Nanoscale Physics · Physics 2009-09-29 Jens Koch , Felix von Oppen , Yuval Oreg , Eran Sela

Ab initio thermodynamics is a widespread, computationally efficient approach to predict the stable configuration of a surface in contact with a surrounding (gas or liquid) environment. In a prevalent realization of this approach, this…

Chemical Physics · Physics 2025-09-18 Hendrik H. Heenen , Karsten Reuter

The inhomogeneous cooling state describing the hydrodynamic behavior of a freely evolving granular gas strongly confined between two parallel plates is studied, using a Boltzmann kinetic equation derived recently. By extending the idea of…

Statistical Mechanics · Physics 2019-12-20 J. Javier Brey , M. I. García de Soria , P. Maynar

A volumetric lattice Boltzmann (LB) method is developed for the particle-resolved direct numerical simulation of thermal particulate flows with conjugate heat transfer. This method is devised as a single-domain approach by applying the…

Computational Physics · Physics 2024-11-01 Xiaojie Zhang , Donglei Wang , Qing Li , Rongzong Huang

Single-particle electron cryomicroscopy (cryo-EM) is an increasingly popular technique for elucidating the three-dimensional structure of proteins and other biologically significant complexes at near-atomic resolution. It is an imaging…

Computational Physics · Physics 2020-04-01 Amit Singer , Fred J. Sigworth

Estimating the temperature and metal abundance of the intracluster and the intragroup media is crucial to determine their global metal content and to determine fundamental cosmological parameters. When a spatially resolved temperature or…

Astrophysics · Physics 2009-11-13 L. Ciotti , S. Pellegrini

We discuss the problem of partitioning a macroscopic system into a collection of independent subsystems. The partitioning of a system into replica-like subsystems is nowadays a subject of major interest in several field of theoretical and…

Mathematical Physics · Physics 2017-09-13 Luigi Delle Site , Giovanni Ciccotti , Carsten Hartmann

We report universal statistical properties displayed by ensembles of pure states that naturally emerge in quantum many-body systems. Specifically, two classes of state ensembles are considered: those formed by i) the temporal trajectory of…

The holographic principle states that the information about a volume of a system is encoded on the boundary surface of the volume. Holography appears in many branches of physics, such as optics, electromagnetism, many-body physics, quantum…

Quantum Physics · Physics 2014-11-25 Bo-Bo Wei , Zhan-Feng Jiang , Ren-Bao Liu

The reliable detection of single quantum particles has revolutionized the field of quantum optics and quantum information processing. For several years, researchers have aspired to extend such detection possibilities to larger scale…