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While first-principles calculations of electrode-molecule binding play an indispensable role in obtaining atomic-level understanding in surface science and electrochemistry, a significant challenge remains because the adsorption energy is…

Materials Science · Physics 2024-03-29 Juho Lee , Hyeonwoo Yeo , Ryong-Gyu Lee , Yong-Hoon Kim

Based on our earlier works [Phys. Rev. B 75, 195127 (2007) & J. Chem. Phys. 128, 234703 (2008)], we propose a formally exact and numerically convenient approach to simulate time-dependent quantum transport from first-principles. The…

Chemical Physics · Physics 2015-05-18 Xiao Zheng , GuanHua Chen , Yan Mo , SiuKong Koo , Heng Tian , ChiYung Yam , YiJing Yan

The dissipative mechanism in weakly collisional plasma is a topic that pervades decades of studies without a consensus solution. We compare several energy dissipation estimates based on energy transfer processes in plasma turbulence and…

This paper deals with the phase noise affecting communication systems, where local oscillators are employed to obtain reference signals for carrier and timing synchronizations. The most common discrete-time phase noise channel model is…

Information Theory · Computer Science 2024-06-21 Amina Piemontese , Giulio Colavolpe , Thomas Eriksson

The linear response to temperature changes is derived for systems with overdamped stochastic dynamics. Holding both in transient and steady state conditions, the results allow to compute nonequilibrium thermal susceptibilities from…

Statistical Mechanics · Physics 2016-04-11 Gianmaria Falasco , Marco Baiesi

Mechanical spectroscopy, i.e. cyclic deformations at varying frequencies, is used theoretically and numerically to measure dissipation in model glasses. From a normal mode analysis, we show that in the high-frequency THz regime where…

Materials Science · Physics 2017-02-22 T. Damart , A. Tanguy , D. Rodney

Synchronization with noise is important for understanding biophysical processes at nano- and micro-meter scales, such as neuronal firing and flagellar rotations. To understand the energetics of these processes, stochastic thermodynamics…

Adaptation and Self-Organizing Systems · Physics 2025-03-28 Jing Qin , Nariya Uchida

Current simulations of ultraviolet-visible absorption lineshapes, and dynamics of condensed phase systems, largely adopt a harmonic description to model vibrations. Often, this involves a model of displaced harmonic oscillators that have…

Chemical Physics · Physics 2020-01-08 Luke D. Smith , Arend G. Dijkstra

We exploit local quantum estimation theory to investigate the measurement of linear and quadratic coupling strengths in a driven-dissipative optomechanical system. For experimentally realistic values of the model parameters, we find that…

Quantum Physics · Physics 2021-09-15 Kamila Sala , Anton Doicin , Andrew D. Armour , Tommaso Tufarelli

Biochemical oscillations are prevalent in living organisms. Systems with a small number of constituents cannot sustain coherent oscillations for an indefinite time because of fluctuations in the period of oscillation. We show that the…

Statistical Mechanics · Physics 2017-06-29 Andre C Barato , Udo Seifert

Abstact: We introduce new models of energy redistribution in stochastic chemical kinetics with several molecule types and energy parameters. The main results concern the situations when there are product form measures. Using a probabilistic…

Probability · Mathematics 2011-12-20 Guy Fayolle , Vadim Malyshev , Serguei Pirogov

When the energy content of a resonant mode of a crystalline solid in thermodynamic equilibrium is directly measured, assuming that quantum effects can be neglected it coincides with temperature except for a proportionality factor. This is…

Accurate prediction of molecular vibrational frequencies is important to identify spectroscopic signatures and reaction thermodynamics. In this work, we develop a method to quantify uncertainty associated with density functional theory…

Chemical Physics · Physics 2019-03-13 Holden L. Parks , Alan. J. H. McGaughey , Venkatasubramanian Viswanathan

Assuming that a constant potential energy function has meaning for a dissipated harmonic oscillator, then an important issue is the time dependence of the turning points. Turning point studies demonstrate that the common model of external…

Classical Physics · Physics 2007-05-23 Randall D. Peters

In a recent work we have proposed an original analytic expression for the partition function of the quartic oscillator. This partition function, which has a simple and compact form with {\it no adjustable parameters}, reproduces some key…

Quantum Physics · Physics 2024-09-23 Michel Caffarel

Using high-resolution direct numerical simulations, the height and Reynolds number dependence of higher-order statistics of the energy dissipation rate and local enstrophy are examined in incompressible, fully-developed turbulent channel…

Fluid Dynamics · Physics 2011-06-28 Peter E. Hamlington , Dmitry Krasnov , Thomas Boeck , Jörg Schumacher

Dissipation is commonly regarded as an obstacle to quantum control, as it induces decoherence and irreversibility. Here we demonstrate that dissipation can instead be exploited as a resource to reshape the dynamics of interacting quantum…

Quantum Physics · Physics 2026-02-20 Debabrata Mondal , Lea F. Santos , S. Sinha

Near equilibrium, thermodynamic intuition suggests that fast, irreversible processes will dissipate more energy and entropy than slow, quasistatic processes connecting the same initial and final states. Here, we test the hypothesis that…

Statistical Mechanics · Physics 2022-12-07 Rebecca A. Bone , Daniel J. Sharpe , David J. Wales , Jason R. Green

Understanding energy dissipation and transport in nanoscale structures is of great importance for the design of energy-efficient circuits and energy-conversion systems. This is also a rich domain for fundamental discoveries at the…

Mesoscale and Nanoscale Physics · Physics 2010-03-23 Eric Pop

There does not exist a general positive correlation between important life-supporting properties and the entropy production rate. The simple reason is that nondissipative and time-symmetric kinetic aspects are also relevant for establishing…

Statistical Mechanics · Physics 2018-04-12 Marco Baiesi , Christian Maes