scholarly journals The relationship between fragility, configurational entropy and the potential energy landscape of glass-forming liquids

Nature ◽  
2001 ◽  
Vol 409 (6817) ◽  
pp. 164-167 ◽  
Author(s):  
Srikanth Sastry
Keyword(s):  
Potential Energy ◽  
Energy Landscape ◽  
Configurational Entropy ◽  
Glass Forming ◽  
Potential Energy Landscape ◽  
The Relationship

Configurational Entropy, Diffusivity and Potential Energy Landscape in Liquid Argon

2009 ◽  
Vol 26 (1) ◽  
pp. 016402 ◽  
Author(s):  
Duan Yong-Ping ◽  
Ma Cong-Xiao ◽  
Li Jia-Yun ◽  
Li Cong ◽  
Wang Dan ◽  
...  
Keyword(s):  
Potential Energy ◽  
Energy Landscape ◽  
Configurational Entropy ◽  
Liquid Argon ◽  
Potential Energy Landscape

Simulated silica

2004 ◽  
Vol 363 (1827) ◽  
pp. 525-535 ◽  
Author(s):  
Ivan Saika-Voivod ◽  
Francesco Sciortino ◽  
Tor Grande ◽  
Peter H. Poole
Keyword(s):  
Liquid Phase ◽  
Equation Of State ◽  
Energy Landscape ◽  
Average Energy ◽  
Configurational Entropy ◽  
Supercooled Liquid ◽  
Potential Energy Landscape ◽  
Comprehensive Picture ◽  
The Relationship

We review how molecular dynamics computer simulations are providing a comprehensive picture of the behaviour of silica, as modelled by the van Beest–Kramer–van Santen (BKS) potential. We have recently evaluated a number of key properties of this model system: the phase diagram, including melting lines of three crystal phases; the equation of state and free energy of the liquid phase; the dynamical equation of state; the average energy of inherent structures, and configurational entropy, associated with the potential energy landscape of the liquid; and a characterization of the local coordination environments in the supercooled liquid. The results reveal the interplay among a number of phenomena, in particular, the relationship between the energy landscape and the fragile–to–strong crossover of the liquid dynamics; and the relation of both of these to the possibility of a liquid–liquid phase transition in the supercooled liquid.

Rheology and Ultrasonic Properties of Metallic Glass-Forming Liquids: A Potential Energy Landscape Perspective

MRS Bulletin ◽  
2007 ◽  
Vol 32 (8) ◽  
pp. 644-650 ◽  
Author(s):  
William L. Johnson ◽  
Marios D. Demetriou ◽  
John S. Harmon ◽  
Mary L. Lind ◽  
Konrad Samwer
Keyword(s):  
Metallic Glass ◽  
Shear Modulus ◽  
Potential Energy ◽  
Energy Landscape ◽  
Saddle Points ◽  
Functional Relation ◽  
Thermal Excitation ◽  
Liquid Region ◽  
Glass Forming ◽  
Potential Energy Landscape

AbstractIn the potential energy landscape theory of liquids, the energetic configurational landscape of a liquid is modeled using a potential energy function comprising a population of stable potential energy minima called inherent states, which represent the stable atomic configurations of the liquid. These configurations are separated by saddle points that represent barriers for configurational hopping between the inherent states. In this article, we survey recent progress in understanding metallic glass-forming liquids from a potential energy landscape perspective. Flow is modeled as activated hopping between inherent states across energy barriers that are assumed to be, on average, sinusoidal. This treatment gives rise to a functional relation between viscosity and isoconfigurational shear modulus, leading to rheological laws describing the Newtonian and non-Newtonian viscosity of metallic glass-forming liquids over a broad range of rheological behavior. High-frequency ultrasonic data gathered within the supercooled-liquid region are shown to correlate well with rheological data, thus confirming the validity of the proposed treatment. Variations in shear modulus induced either by thermal excitation or mechanical deformation can be correlated to variations in the measured stored enthalpy or equivalently to the configurational potential energy of the liquid. This shows that the elastic and rheological properties of a liquid or glass are uniquely related to the average potential energy of the occupied inherent states.

scholarly journals Crossover to potential energy landscape dominated dynamics in a model glass-forming liquid

2000 ◽  
Vol 112 (22) ◽  
pp. 9834-9840 ◽  
Author(s):  
Thomas B. Schrøder ◽  
Srikanth Sastry ◽  
Jeppe C. Dyre ◽  
Sharon C. Glotzer
Keyword(s):  
Potential Energy ◽  
Energy Landscape ◽  
Glass Forming ◽  
Model Glass ◽  
Potential Energy Landscape

The polarizability response of a glass-forming liquid reveals intrabasin motion and interbasin transitions on a potential energy landscape

Soft Matter ◽  
2020 ◽  
Vol 16 (24) ◽  
pp. 5588-5598
Author(s):  
John S. Bender ◽  
Miaochan Zhi ◽  
Marcus T. Cicerone
Keyword(s):  
Potential Energy ◽  
Experimental Verification ◽  
Energy Landscape ◽  
Glass Forming ◽  
Potential Energy Landscape ◽  
Glass Properties

Potential energy landscape (PEL) concepts have heretofore been useful in predicting liquid and glass properties from theoretical descriptions. Here, we enable experimental verification of these concepts by probing key PEL features.

Sign in / Sign up

Export Citation Format

Share Document