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We analyse the connections between structure and dynamics in two model glass-formers, using the mutual information between an initial configuration and the ensuing dynamics to compare the predictive value of different structural…

Statistical Mechanics · Physics 2014-09-05 Robert L. Jack , Andrew J. Dunleavy , C. Patrick Royall

Second-harmonic scattering experiments of water and other bulk molecular liquids have long been assumed to be insensitive to interactions between the molecules. The measured intensity is generally thought to arise from incoherent scattering…

Soft Condensed Matter · Physics 2017-08-28 Gabriele Tocci , Chungwen Liang , David M. Wilkins , Sylvie Roke , Michele Ceriotti

The complete quantitative description of the structure of dense and supercooled liquids remains a notoriously difficult problem in statistical physics. Most studies to date focus solely on two-body structural correlations, and only a…

Statistical Mechanics · Physics 2023-05-17 Ilian Pihlajamaa , Corentin C. L. Laudicina , Chengjie Luo , Liesbeth M. C. Janssen

The inherent structure approach, wherein thermodynamic and structural changes in glass forming liquids are analyzed in terms of local potential energy minima that the liquid samples, has recently been applied extensively to the study of…

Statistical Mechanics · Physics 2007-05-23 Srikanth Sastry

The structure, thermodynamics and slow activated dynamics of the equilibrated metastable regime of glass-forming fluids remains a poorly understood problem of high theoretical and experimental interest. We apply a highly accurate…

Soft Condensed Matter · Physics 2024-08-21 Subhashish Chaki , Baicheng Mei , Kenneth S. Schweizer

A microfluidic device is constructed from PDMS with a single channel having a short section that is a thin flexible membrane, in order to investigate the complex fluid-structure interaction that arises between a flowing fluid and a…

Soft Condensed Matter · Physics 2020-07-03 Debadi Chakraborty , J. Ravi Prakash , Leslie Yeo , James Friend

Uncertainty relations and quantum entanglement are pivotal concepts in quantum theory. Beyond their fundamental significance in shaping our understanding of the quantum world, they also underpin crucial applications in quantum information…

Quantum Physics · Physics 2023-12-18 Yundu Zhao , Shan Huang , Shengjun Wu

Microscopic understanding of liquid properties is essential for advancing a wide range of applications from energy applications such as nuclear reactors and batteries to biomedical applications including drug delivery and microfluidics.…

Chemical Physics · Physics 2026-03-24 Jaeyun Moon

The overall goal of this thesis is to investigate the connection between the dynamics and structure of molecular glass formers, by testing different scaling laws for both. The inspiration for this work is the Isomorph theory because it…

Soft Condensed Matter · Physics 2025-07-10 Erik Lørup

Our understanding of supercooled liquids and glasses has lagged significantly behind that of simple liquids and crystalline solids. This is in part due to the many possibly relevant degrees of freedom that are present due to the disorder…

Machine Learning · Statistics 2018-08-01 Samuel S. Schoenholz

Although density functional theory provides reliable predictions for the static properties of simple fluids under confinement, a theory of comparative accuracy for the transport coefficients has yet to emerge. Nonetheless, there is evidence…

We connect the configurational entropy of a liquid to the geometrical properties of its local energy landscape, using a high-temperature expansion. It is proposed that correlations between local structures arises from their overlap and,…

Soft Condensed Matter · Physics 2016-08-24 Pierre Ronceray , Peter Harrowell

The water impact of an inclined flat plate and at high horizontal velocity is experimentally investigated with focus on the fluid-structure interaction aspects. Several test conditions have been examined by varying the vertical to…

Fluid Dynamics · Physics 2021-05-17 Emanuele Spinosa , Alessandro Iafrati

Disordered systems like liquids, gels, glasses, or granular materials are not only ubiquitous in daily life and in industrial applications but they are also crucial for the mechanical stability of cells or the transport of chemical and…

Disordered Systems and Neural Networks · Physics 2019-04-30 Zhen Zhang , Walter Kob

Diverse implicit structures of fluids are discovered lately, providing opportunities to study the physics of fluids applying network analysis. Although considerable works devote to identifying informative network structures of fluids, we…

Fluid Dynamics · Physics 2024-08-26 Yang Tian , Pei Sun , Yizhou Xu

The development of high-resolution imaging methods such as electron and scanning probe microscopy and atomic probe tomography have provided a wealth of information on structure and functionalities of solids. The availability of this data in…

Materials Science · Physics 2022-11-08 Sergei V. Kalinin , Ayana Ghosh , Rama Vasudevan , Maxim Ziatdinov

Among all fluids, water has always been of special concern for scientists from a broad variety of research fields due to its rich behavior. In particular, some questions remain unanswered nowadays concerning the temperature dependence of…

Chemical Physics · Physics 2022-07-06 Cecilia Herrero , Michela Pauletti , Gabriele Tocci , Marcella Iannuzzi , Laurent Joly

Previously, it has been shown that the direct correlation function for a Lennard-Jones fluid could be modeled by a sum of that for hard-spheres, a mean-field tail and a simple linear correction in the core region constructed so as to…

Statistical Mechanics · Physics 2008-08-20 James F. Lutsko

The experimental results relevant for the understanding of the microscopic dynamics in liquid metals are reviewed, with special regards to the ones achieved in the last two decades. Inelastic Neutron Scattering played a major role since the…

Disordered Systems and Neural Networks · Physics 2009-11-11 Tullio Scopigno , Giancarlo Ruocco , Francesco Sette

Blood flow, dam or ship construction and numerous other problems in biomedical and general engineering involve incompressible flows interacting with elastic structures. Such interactions heavily influence the deformation and stress states…

Computational Engineering, Finance, and Science · Computer Science 2021-12-17 R. Schussnig , D. R. Q. Pacheco , T. -P. Fries
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