Accelerated entropy estimates with accelerated dynamics

Minh, David D. L.; Hamelberg, Donald; McCammon, J. Andrew
October 2007
Journal of Chemical Physics;10/21/2007, Vol. 127 Issue 15, p154105
Academic Journal
Accelerated dynamics is applied to entropy calculations on a set of toy and molecular systems and is found to enhance the rate of convergence.


Related Articles

  • GD Wins $254 Million Contract for LAV Reconnaissance Surveillance System Upgrade.  // Defense Daily International;11/21/2014, p1 

    General Dynamics [GD] Canada was awarded a $254 million contract for the provision and integration of an enhanced surveillance system on to Canadian LAV IIIÂ…

  • Self-organization of a critical state on complex networks. Ginzburg, S. L.; Nakin, A. V.; Savitskaya, N. E. // Journal of Experimental & Theoretical Physics;Dec2009, Vol. 109 Issue 6, p1022 

    The critical dynamics of a two-threshold system with the law of conservation of the basic quantity z and in the absence of sink on a scale-free network has been studied. It has been shown that the critical state that is a set of metastable states appears in such a system. The structure of the...

  • Structural and Thermodynamic Factors of Suppressed Interdiffusion Kinetics in Multi-component High-entropy Materials. Shou-Yi Chang; Chen-En Li; Yi-Chung Huang; Hsun-Feng Hsu; Jien-Wei Yeh; Su-Jien Lin // Scientific Reports;2/28/2014, p1 

    We report multi-component high-entropy materials as extraordinarily robust diffusion barriers and clarify the highly suppressed interdiffusion kinetics in the multi-component materials from structural and thermodynamic perspectives. The failures of six alloy barriers with different numbers of...

  • Physical Metallurgy of High-Entropy Alloys. Yeh, Jien-Wei // JOM: The Journal of The Minerals, Metals & Materials Society (TM;Oct2015, Vol. 67 Issue 10, p2254 

    Two definitions of high-entropy alloys (HEAs), based on composition and entropy, are reviewed. Four core effects, i.e., high entropy, sluggish diffusion, severe lattice distortion, and cocktail effects, are mentioned to show the uniqueness of HEAs. The current state of physical metallurgy is...

  • Entanglement and the foundations of statistical mechanics. Popescu, Sandu; Short, Anthony J.; Winter, Andreas // Nature Physics;Nov2006, Vol. 2 Issue 11, p754 

    Statistical mechanics is one of the most successful areas of physics. Yet, almost 150 years since its inception, its foundations and basic postulates are still the subject of debate. Here we suggest that the main postulate of statistical mechanics, the equal a priori probability postulate,...

  • On convergence to equilibrium for Kac’s caricature of a Maxwell gas. Gabetta, E.; Toscani, G. // Journal of Mathematical Physics;Jan1994, Vol. 35 Issue 1, p190 

    The trend towards equilibrium of the solution to the one-dimensional Kac’s caricature of a Maxwell gas is investigated. When the initial value has finite energy and finite Linnik’s entropy, it is proven that the solution converges in L1∩L∞ to the equilibrium Maxwellian...

  • Preface.  // Applied Mechanics & Materials;2014, Vol. 740, preceding p3 

    No abstract available.

  • Entropy changes in the clustering of galaxies in an expanding universe. Iqbal, Naseer; Khan, Mohammad Shafi; Masood, Tabasum // Communications & Network;Nov2010, Vol. 2 Issue 4, p65 

    In the present work the approach-thermodynamics and statistical mechanics of gravitating systems is applied to study the entropy change in gravitational clustering of galaxies in an expanding universe. We derive analytically the expressions for gravitational entropy in terms of temperature T and...

  • Nonadditivity of Rényi entropy and Dvoretzky’s theorem. Aubrun, Guillaume; Szarek, Stanisław; Werner, Elisabeth // Journal of Mathematical Physics;Feb2010, Vol. 51 Issue 2, p022102 

    The goal of this note is to show that the analysis of the minimum output p-Rényi entropy of a typical quantum channel essentially amounts to applying Milman’s version of Dvoretzky’s theorem about almost Euclidean sections of high-dimensional convex bodies. This conceptually...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics