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We introduce a local machine-learning method for predicting the electron densities of periodic systems. The framework is based on a numerical, atom-centred auxiliary basis, which enables an accurate expansion of the all-electron density in…

Chemical Physics · Physics 2021-11-10 Alan M. Lewis , Andrea Grisafi , Michele Ceriotti , Mariana Rossi

Electromechanics in fluids describes the response of the number density to electric fields, and thus provides a powerful means by which to control the behavior of liquids. While continuum approaches have proven successful in describing…

Soft Condensed Matter · Physics 2025-07-10 Anna T. Bui , Stephen J. Cox

We present a simulation protocol that allows for efficient sampling of the degrees of freedom of a solute in explicit solvent. The protocol involves using a non-equilibrium umbrella sampling method, in this case the recently developed…

Chemical Physics · Physics 2010-03-16 Volodymyr Babin , Celeste Sagui

Controversy exists regarding the possible existence of a transition between the liquid and glassy states of water. Here we use experimental measurements of the entropy, specific heat, and enthalpy of both liquid and glassy water to…

Condensed Matter · Physics 2007-05-23 Francis W. Starr , C. Austen Angell , Robin J. Speedy , H. Eugene Stanley

Preventing fluid penetration poses a challenging reliability concern in the context of power electronics, which is usually caused by unforeseen microfractures along the sealing joints. A better and more reliable product design heavily…

Specialized Monte Carlo simulations and the moment free energy (MFE) method are employed to study liquid-gas phase equilibria in size-disperse fluids. The investigation is made subject to the constraint of fixed polydispersity, i.e. the…

Soft Condensed Matter · Physics 2009-11-10 Nigel B. Wilding , Moreno Fasolo , Peter Sollich

AES VHF inductively coupled plasmatron may be applied to wide range of studies. It enables rapid microanalysis of various solutions including biological objects and peripheral blood serum. In addition, it may be used for investigation of…

Biological Physics · Physics 2007-07-23 Vasil G. Bregadze , Eteri S. Gelagutashvili , Ketevan J. Tsakadze

Microfluidic channels are integral to biomedical technology and process engineering, offering versatility in handling fluids with complex properties, often a combination of viscous and elastic attributes. Despite significant advancements in…

Soft Condensed Matter · Physics 2025-09-29 Sampad Laha , Siddhartha Mukherjee , Suman Chakraborty

Bending rigidities of tensionless balanced liquid-liquid interfaces as occurring in microemulsions are predicted using self-consistent field theory for molecularly inhomogeneous systems. Considering geometries with scale invariant curvature…

Soft Condensed Matter · Physics 2018-10-05 Ramanathan Varadharajan , Frans. A. M. Leermakers

One of the harmful contaminants in the atmosphere, which negatively affects the well-being of both humans and animals, is the suspended respirable particles. The most difficult aspect of the study is now removing these fine respirable…

Fluid Dynamics · Physics 2024-06-28 Debabrat Biswal , Bahni Ray , Debabrata Dasgupta , Rochish M. Thaokar , Y. S. Mayya

This publication presents an investigation of the performance of different analytical electron ptychography methods for low-dose imaging. In particular, benchmarking is performed for two model-objects, monolayer MoS$_2$ and apoferritin, by…

Applied Physics · Physics 2025-05-20 Hoelen L. Lalandec Robert , Max Leo Leidl , Knut Müller-Caspary , Jo Verbeeck

Micro and/or Nano sized emulsions are formed when an organic liquid gently comes in contact with water in the presence of a surfactant, where no external agitation is required. Many years of research made it clear that the driving force for…

Soft Condensed Matter · Physics 2023-03-22 Monicka Kullappan , Wes Patel , Manoj K. Chaudhury

The spatial distributions of the valence-electron density and the total energy reliefs for water (or methanol) migration on the free surface of graphene are obtained, by using the electron density functional and ab initio pseudopotential…

Mesoscale and Nanoscale Physics · Physics 2015-11-30 A. G. Barylka , R. M. Balabai

Purpose: The purpose of this study is to address the lack of uncertainty quantification in numerical hemolysis models, which are critical for medical device evaluations. Specifically, we aim to incorporate experimental variability into…

Medical Physics · Physics 2024-07-29 Christopher Blum , Ulrich Steinseifer , Michael Neidlin

We present a comprehensive rheological study of a suspension of thermosensitive particles dispersed in water. The volume fraction of these particles can be adjusted by the temperature of the system in a continuous fashion. Due to the finite…

Soft Condensed Matter · Physics 2009-04-21 Miriam Siebenbuerger , Matthias Fuchs , Henning Winter , Matthias Ballauff

This paper presents measurements of the scintillation light yield and time profile for a number of concentration of water-based liquid scintillator, formulated from linear alkylbenzene (LAB) and 2,5-diphenyloxazole (PPO). We find that the…

Instrumentation and Detectors · Physics 2020-11-04 J. Caravaca , B. J. Land , M. Yeh , G. D. Orebi Gann

Canonical ensemble molecular dynamics simulations of liquid methanol, modeled using a rigid-body, pair-additive potential, are used to compute static distributions and temporal correlations of tagged molecule potential energies as a means…

Soft Condensed Matter · Physics 2008-11-11 Ruchi Sharma , Charusita Chakravarty

In the vicinity of their glass transition, dense colloidal suspensions acquire elastic properties over experimental timescales. We investigate the possibility of a visco-elastic flow instability in curved geometry for such materials. To…

Soft Condensed Matter · Physics 2015-08-21 Alexandre Nicolas , Matthias Fuchs

The interpretation of static and dynamic scattering experiments on droplet microemulsions is discussed. We review the arguments given in our previous papers that call into question the methods of current determination of basic…

Soft Condensed Matter · Physics 2007-05-23 V. Lisy

Interfacial instabilities in multicomponent fluidic systems are widespread in nature and in industrial processes, yet controlling their dynamics remains a challenge. Here, we present a strategy to actively tune Marangoni-driven…

Soft Condensed Matter · Physics 2025-05-30 Christoph Haessig , Mehdi Habibi , Uddalok Sen
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