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We analyze the properties of a Lennard-Jones system at the level of the potential energy landscape. After an exhaustive investigation of the topological features of the landscape of the systems, obtained studying small size sample, we…

无序系统与神经网络 · 物理学 2016-08-31 L. Angelani , G. Parisi , G. Ruocco , G. Viliani

Within the scenario of the potential energy landscape (PEL), a thermodynamic model has been developed to uncover the physics behind the Angell plot. In our model, by separating the barrier distribution in PELs into a Gaussian-like and a…

材料科学 · 物理学 2023-01-04 D. M. Zhang , D. Y. Sun , X. G. Gong

It is difficult to relate the properties of liquids and glasses directly to their structure because of complexity in the structure which defies precise definition. The potential energy landscape (PEL) approach is a very insightful way to…

软凝聚态物质 · 物理学 2014-11-27 Takuya Iwashita , Takeshi Egami

We consider a system of particles interacting via a purely repulsive, soft-core potential recently introduced to model effective pair interactions between dendrimers, which is expected to lead to the formation of crystals with multiple…

软凝聚态物质 · 物理学 2015-05-11 Davide Pini

A novel method for glassy landscape exploration is presented which utilizes a time series of energy values collected during an isothermal relaxation after a thermal quench. A sub-series of increasingly rare events, or quakes, which are…

统计力学 · 物理学 2007-05-23 Paolo Sibani , Jesper Dall

A database of minima and transition states corresponds to a network where the minima represent nodes and the transition states correspond to edges between the pairs of minima they connect via steepest-descent paths. Here we construct…

无序系统与神经网络 · 物理学 2017-11-22 John W R Morgan , Dhagash Mehta , David J Wales

We present a simple mathematical model of glassy dynamics seen as a random walk in a directed, weighted network of minima taken as a representation of the energy landscape. Our approach gives a broader perspective to previous studies…

统计力学 · 物理学 2009-08-25 Andrea Baronchelli , Alain Barrat , Romualdo Pastor-Satorras

Disconnectivity graphs are used to visualize the minima and the lowest energy barriers between the minima of complex systems. They give an easy and intuitive understanding of the underlying energy landscape and, as such, are excellent tools…

无序系统与神经网络 · 物理学 2020-04-28 Katja Biswas , Helmut G. Katzgraber

The nature of glassy dynamics and the glass transition are long-standing problems under active debate. In the presence of a structural disorder widely believed to be an essential characteristic of structural glass, identifying and…

How useful it is to think about the potential energy landscape of a complex many-body system depends in large measure on how direct the connection is to the system's dynamics. In this paper we show that, within what we call the potential…

软凝聚态物质 · 物理学 2007-12-12 Chengju Wang , Richard M. Stratt

Disconnectivity graphs are used to characterize the potential energy surfaces of Lennard-Jones clusters containing 13, 19, 31, 38, 55 and 75 atoms. This set includes members which exhibit either one or two `funnels' whose low-energy regions…

凝聚态物理 · 物理学 2007-05-23 Jonathan Doye , Mark Miller , David Wales

In simulations of some infinite range spin glass systems with finite connectivity, it is found that for any resonable computational time, the saturatedenergy per spin that is achieved by a cluster algorithm is lowered in comparison to that…

凝聚态物理 · 物理学 2016-08-31 N. Persky , I. Kanter , S. Solomon

An appropriate model for the random energy landscape in organic glasses is a spatially correlated Gaussian field. We calculated the distribution of the average value of a Gaussian random field in a finite domain. The results of the…

无序系统与神经网络 · 物理学 2013-03-21 S. V. Novikov

In the free energy landscape picture of glassy systems, the slow dynamics characteristic of these systems is believed to be due to the existence of a complicated free-energy landscape with many local minima. We show here that for a…

软凝聚态物质 · 物理学 2009-11-11 Sara Jabbari-Farouji , Gerard H. Wegdam , Daniel Bonn

Energy functions for pure and heterogenous systems are one of the backbones for molecular simulation of condensed phase systems. With the advent of machine learned potential energy surfaces (ML-PESs) a new era has started. Statistical…

Energy landscapes are high-dimensional surfaces representing the dependence of system energy on variable configurations, which determine crucially the system's emergent behavior but are difficult to be analyzed due to their high-dimensional…

无序系统与神经网络 · 物理学 2024-05-24 Ho Fai Po , Chi Ho Yeung

We develop a framework for understanding the difference between strong and fragile behavior in the dynamics of glass-forming liquids from the properties of the potential energy landscape. Our approach is based on a master equation…

无序系统与神经网络 · 物理学 2015-05-30 Sumilan Banerjee , Chandan Dasgupta

We investigate the multi-valley energy landscape of a 3-D on-lattice network model for covalent glasses, numerically determining the shape of the valleys, the local density of states, the density of minima and the local connectivity. We…

统计力学 · 物理学 2009-10-31 J. Christian Schoen , P. Sibani

Observations show that galaxies in galaxy clusters are strongly influenced by their environment. There is growing evidence that some galaxies in groups show similar properties to galaxies in clusters, such as redder colours and gas…

星系天体物理 · 物理学 2014-06-19 Helga Dénes , Virginia A. Kilborn , Bärbel S. Koribalski

We present preliminary results of an extensive study of the fundamental properties of dwarf elliptical galaxies (dEs) in the Coma cluster. Our study will combine HST surface photometry with ground-based UBRIJK photometry and optical…

天体物理学 · 物理学 2012-04-26 Rafael Guzman , Alister W. Graham , Ana Matkovic , Ileana Vass , Javier Gorgas , Nicolas Cardiel
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