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Brownian dynamics simulations are used to study the detachment of a particle from a substrate. Although the model is simple and generic, we attempt to map its energy, length and time scales onto a specific experimental system, namely a bead…

软凝聚态物质 · 物理学 2021-01-08 Emma Hodges , B. M. Cooke , E. M. Sevick , Debra J. Searles , B. Duenweg , J. Ravi Prakash

We present a generalization of Jarzynski's Equality, applicable to quantum systems, relating discretized mechanical work and free-energy changes. The theory is based on a step-wise pulling protocol. We find that work distribution functions…

量子物理 · 物理学 2012-09-21 Van A. Ngo , Stephan Haas

The Jarzynski equality allows the calculation of free-energy differences using values of work measured from nonequilibrium trajectories. The number of trajectories required to accurately estimate free-energy differences in this way grows…

统计力学 · 物理学 2025-05-13 Stephen Whitelam

Fluctuation theorems, such as the Jarzynski equality and the Crooks relation, are effective tools connecting non-equilibrium work statistics and equilibrium free energy differences. However, detailed hands-on, reproducible protocols for…

Extracting equilibrium information from nonequilibrium measurements is a challenge task of great importance in understanding the thermodynamic properties of physical, chemical, and biological systems. The discovery of the Jarzynski equality…

统计力学 · 物理学 2021-03-29 Geng Li , Z. C. Tu

We investigate the coupling between interstitial medium and granular particles by studying the hopper flow of dry and submerged system experimentally and numerically. In accordance with earlier studies, we find, that the dry hopper empties…

软凝聚态物质 · 物理学 2017-04-10 Juha Koivisto , Marko Korhonen , Mikko J. Alava , Carlos P. Ortiz , Douglas J. Durian , Antti Puisto

The classical Jarzynski equality establishes an exact relation between the stochastic work performed on a system driven out of thermal equilibrium and the free energy difference in a corresponding quasi-static process. This fluctuation…

量子物理 · 物理学 2025-08-21 Konstantin Beyer , Walter T. Strunz

We use Newtonian and overdamped Langevin dynamics to study long flexible polymers dragged by an external force at a constant velocity $v$. The work $W$ by that force depends on the initial state of the polymer and the details of the…

统计力学 · 物理学 2017-08-30 Raz Halifa Levi , Yacov Kantor

A main goal of single-molecule experiments is to evaluate equilibrium free energy differences by applying fluctuation relations to repeated work measurements along irreversible processes. We quantify the error that is made in a free energy…

统计力学 · 物理学 2009-06-22 Alessandro Mossa , Sara de Lorenzo , Josep Maria Huguet , Felix Ritort

The work dissipated in pulling a polymer chain with internal friction is numerically calculated by considering a sequence of $N$ bead-spring-dashpots tethered at one end and being pulled at the other using a harmonic trap via linear and…

软凝聚态物质 · 物理学 2025-07-09 R. Kailasham

The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…

软凝聚态物质 · 物理学 2012-06-12 Nikolai V. Priezjev

We investigate the work dissipated during the irreversible unfolding of single molecules by mechanical force, using the simplest model necessary to represent experimental data. The model consists of two levels (folded and unfolded states)…

生物物理 · 物理学 2012-08-27 F. Ritort , C. Bustamante , I. Tinoco,

Jarzynski's equality [1] allows us to investigate free energy landscapes (FELs) by constructing distributions of work performed on a system from an initial ensemble of states to final states. This work is experimentally measured by…

生物物理 · 物理学 2011-05-24 Van Ngo

The effect of fluctuating internal viscosity and hydrodynamic interactions on a range of rheological properties of dilute polymer solutions is examined using a finitely extensible dumbbell model for a polymer. Brownian dynamics simulations…

软凝聚态物质 · 物理学 2020-07-03 R. Kailasham , Rajarshi Chakrabarti , J. Ravi Prakash

We have experimentally checked the Jarzynski equality and the Crooks relation on the thermal fluctuations of a macroscopic mechanical oscillator in contact with a heat reservoir. We found that, independently of the time scale and amplitude…

统计力学 · 物理学 2009-11-11 F. Douarche , S. Ciliberto , A. Petrosyan , I. Rabbiosi

A polymer in a turbulent flow undergoes the coil-stretch transition when the Weissenberg number, i.e. the product of the Lyapunov exponent of the flow and the relaxation time of the polymer, surpasses a critical value. The effect of…

流体动力学 · 物理学 2020-11-10 Dario Vincenzi

In the global framework of finding an axiomatic derivation of nonequilibrium Statistical Mechanics from fundamental principles, such as the maximum path entropy -- also known as Maximum Caliber principle -- , this work proposes an…

统计力学 · 物理学 2017-06-28 Diego González , Sergio Davis

The Jarzynski Equality relates the free energy difference between two equilibrium states of a system to the average of the work over all irreversible paths to go from one state to the other. We claim that the derivation of this equality is…

统计力学 · 物理学 2009-11-10 E. G. D. Cohen , David Mauzerall

Understanding and manipulating work fluctuations in microscale and nanoscale systems are of both fundamental and practical interest. For example, aspects of work fluctuations will be an important factor in designing nanoscale heat engines.…

统计力学 · 物理学 2014-11-26 Gaoyang Xiao , Jiangbin Gong

Using a dynamic Surface Force Apparatus, we demonstrate that the notion of slip length used to describe the boundary flow of simple liquids, is not appropriate for viscoelastic liquids. Rather, the appropriate description lies in the…

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