Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Excess Entropy Scaling Law for Diffusivity in Liquid Metals.

ABSTRACT: Understanding how dynamic properties depend on the structure and thermodynamics in liquids is a long-standing open problem in condensed matter physics. A very simple approach is based on the Dzugutov contribution developed on model fluids in which a universal (i.e. species-independent) connection relates the pair excess entropy of a liquid to its reduced diffusion coefficient. However its application to "real" liquids still remains uncertain due to the ability of a hard sphere (HS) reference fluid used in reducing parameters to describe complex interactions that occur in these liquids. Here we use ab initio molecular dynamics simulations to calculate both structural and dynamic properties at different temperatures for a wide series of liquid metals including Al, Au, Cu, Li, Ni, Ta, Ti, Zn as well as liquid Si and B. From this analysis, we demonstrate that the Dzugutov scheme can be applied successfully if a self-consistent method to determine the packing fraction of the hard sphere reference fluid is used as well as the Carnahan-Starling approach to express the excess entropy.

SUBMITTER: Jakse N

PROVIDER: S-EPMC4748237 | biostudies-literature | 2016 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Excess Entropy Scaling Law for Diffusivity in Liquid Metals.

Jakse N N Pasturel A A

Scientific reports 20160210

Understanding how dynamic properties depend on the structure and thermodynamics in liquids is a long-standing open problem in condensed matter physics. A very simple approach is based on the Dzugutov contribution developed on model fluids in which a universal (i.e. species-independent) connection relates the pair excess entropy of a liquid to its reduced diffusion coefficient. However its application to "real" liquids still remains uncertain due to the ability of a hard sphere (HS) reference flu ...[more]

PMID: 26862002

Similar Datasets

Scaling Law

Project description:Combinatorial genetics reveals a scaling law for the effects of mutations on splicing

| PRJEB24588 | ENA

Excess-entropy scaling in supercooled binary mixtures.

Project description:Transport coefficients, such as viscosity or diffusion coefficient, show significant dependence on density or temperature near the glass transition. Although several theories have been proposed for explaining this dynamical slowdown, the origin remains to date elusive. We apply here an excess-entropy scaling strategy using molecular dynamics computer simulations and find a quasiuniversal, almost composition-independent, relation for binary mixtures, extending eight orders of magnitude in viscosity or diffusion coefficient. Metallic alloys are also well captured by this relation. The excess-entropy scaling predicts a quasiuniversal breakdown of the Stokes-Einstein relation between viscosity and diffusion coefficient in the supercooled regime. Additionally, we find evidence that quasiuniversality extends beyond binary mixtures, and that the origin is difficult to explain using existing arguments for single-component quasiuniversality.

| S-EPMC7453028 | biostudies-literature

Scaling Law for Irreversible Entropy Production in Critical Systems.

Project description:We examine the Jarzynski equality for a quenching process across the critical point of second-order phase transitions, where absolute irreversibility and the effect of finite-sampling of the initial equilibrium distribution arise in a single setup with equal significance. We consider the Ising model as a prototypical example for spontaneous symmetry breaking and take into account the finite sampling issue by introducing a tolerance parameter. The initially ordered spins become disordered by quenching the ferromagnetic coupling constant. For a sudden quench, the deviation from the Jarzynski equality evaluated from the ideal ensemble average could, in principle, depend on the reduced coupling constant ?0 of the initial state and the system size L. We find that, instead of depending on ?0 and L separately, this deviation exhibits a scaling behavior through a universal combination of ?0 and L for a given tolerance parameter, inherited from the critical scaling laws of second-order phase transitions. A similar scaling law can be obtained for the finite-speed quench as well within the Kibble-Zurek mechanism.

| S-EPMC4899778 | biostudies-literature

Scaling of relaxation and excess entropy in plastically deformed amorphous solids.

Project description:When stressed sufficiently, solid materials yield and deform plastically via reorganization of microscopic constituents. Indeed, it is possible to alter the microstructure of materials by judicious application of stress, an empirical process utilized in practice to enhance the mechanical properties of metals. Understanding the interdependence of plastic flow and microscopic structure in these nonequilibrium states, however, remains a major challenge. Here, we experimentally investigate this relationship, between the relaxation dynamics and microscopic structure of disordered colloidal solids during plastic deformation. We apply oscillatory shear to solid colloidal monolayers and study their particle trajectories as a function of shear rate in the plastic regime. Under these circumstances, the strain rate, the relaxation rate associated with plastic flow, and the sample microscopic structure oscillate together, but with different phases. Interestingly, the experiments reveal that the relaxation rate associated with plastic flow at time t is correlated with the strain rate and sample microscopic structure measured at earlier and later times, respectively. The relaxation rate, in this nonstationary condition, exhibits power-law, shear-thinning behavior and scales exponentially with sample excess entropy. Thus, measurement of sample static structure (excess entropy) provides insight about both strain rate and constituent rearrangement dynamics in the sample at earlier times.

| S-EPMC7275772 | biostudies-literature

An entropy scaling demarcation of gas- and liquid-like fluid behaviors.

Project description:In this work, we propose a generic and simple definition of a line separating gas-like and liquid-like fluid behaviors from the standpoint of shear viscosity. This definition is valid even for fluids such as the hard sphere and the inverse power law that exhibit a unique fluid phase. We argue that this line is defined by the location of the minimum of the macroscopically scaled viscosity when plotted as a function of the excess entropy, which differs from the popular Widom lines. For hard sphere, Lennard-Jones, and inverse-power-law fluids, such a line is located at an excess entropy approximately equal to -2/3 times Boltzmann's constant and corresponds to points in the thermodynamic phase diagram for which the kinetic contribution to viscosity is approximately half of the total viscosity. For flexible Lennard-Jones chains, the excess entropy at the minimum is a linear function of the chain length. This definition opens a straightforward route to classify the dynamical behavior of fluids from a single thermodynamic quantity obtainable from high-accuracy thermodynamic models.

| S-EPMC7943929 | biostudies-literature

Changes in EEG multiscale entropy and power-law frequency scaling during the human sleep cycle.

Project description:We explored changes in multiscale brain signal complexity and power-law scaling exponents of electroencephalogram (EEG) frequency spectra across several distinct global states of consciousness induced in the natural physiological context of the human sleep cycle. We specifically aimed to link EEG complexity to a statistically unified representation of the neural power spectrum. Further, by utilizing surrogate-based tests of nonlinearity we also examined whether any of the sleep stage-dependent changes in entropy were separable from the linear stochastic effects contained in the power spectrum. Our results indicate that changes of brain signal entropy throughout the sleep cycle are strongly time-scale dependent. Slow wave sleep was characterized by reduced entropy at short time scales and increased entropy at long time scales. Temporal signal complexity (at short time scales) and the slope of EEG power spectra appear, to a large extent, to capture a common phenomenon of neuronal noise, putatively reflecting cortical balance between excitation and inhibition. Nonlinear dynamical properties of brain signals accounted for a smaller portion of entropy changes, especially in stage 2 sleep.

| S-EPMC6865770 | biostudies-literature

Fluctuation scaling, Taylor's law, and crime.

Project description:Fluctuation scaling relationships have been observed in a wide range of processes ranging from internet router traffic to measles cases. Taylor's law is one such scaling relationship and has been widely applied in ecology to understand communities including trees, birds, human populations, and insects. We show that monthly crime reports in the UK show complex fluctuation scaling which can be approximated by Taylor's law relationships corresponding to local policing neighborhoods and larger regional and countrywide scales. Regression models applied to local scale data from Derbyshire and Nottinghamshire found that different categories of crime exhibited different scaling exponents with no significant difference between the two regions. On this scale, violence reports were close to a Poisson distribution (? = 1.057 ± 0.026) while burglary exhibited a greater exponent (? = 1.292 ± 0.029) indicative of temporal clustering. These two regions exhibited significantly different pre-exponential factors for the categories of anti-social behavior and burglary indicating that local variations in crime reports can be assessed using fluctuation scaling methods. At regional and countrywide scales, all categories exhibited scaling behavior indicative of temporal clustering evidenced by Taylor's law exponents from 1.43 ± 0.12 (Drugs) to 2.094 ± 0081 (Other Crimes). Investigating crime behavior via fluctuation scaling gives insight beyond that of raw numbers and is unique in reporting on all processes contributing to the observed variance and is either robust to or exhibits signs of many types of data manipulation.

| S-EPMC4182799 | biostudies-literature

Scaling Law of Urban Ride Sharing.

Project description:Sharing rides could drastically improve the efficiency of car and taxi transportation. Unleashing such potential, however, requires understanding how urban parameters affect the fraction of individual trips that can be shared, a quantity that we call shareability. Using data on millions of taxi trips in New York City, San Francisco, Singapore, and Vienna, we compute the shareability curves for each city, and find that a natural rescaling collapses them onto a single, universal curve. We explain this scaling law theoretically with a simple model that predicts the potential for ride sharing in any city, using a few basic urban quantities and no adjustable parameters. Accurate extrapolations of this type will help planners, transportation companies, and society at large to shape a sustainable path for urban growth.

| S-EPMC5337932 | biostudies-literature

A universal scaling law of mammalian touch.

Project description:For most mammals, touch is the first sense to develop. They must feel vibrations on the surface of their skin to enable them to respond to various stimuli in their environment, a process called vibrotaction. But how do mammals perceive these vibrations? Through mathematical modeling of the skin and touch receptors, we show that vibrotaction is dominated by "surface" Rayleigh waves traveling cooperatively through all layers of the skin and bone. Applying our model to experimental data, we identify a universal scaling law for the depth of touch receptors across multiple species, indicating an evolutionarily conserved constant in the sensation of vibrations.

| S-EPMC7546702 | biostudies-literature

Combinatorial genetics reveals a scaling law for the effects of mutations on splicing

Project description:Despite a wealth of molecular knowledge, quantitative laws for accurate prediction of biological phenomena remain rare. Alternative pre-mRNA splicing is an important regulated step in gene expression frequently perturbed in human disease. To understand the combined effects of mutations during evolution, we quantified the effects of all possible combinations of exonic mutations accumulated during the emergence of an alternatively spliced human exon. This revealed that mutation effects scale non-monotonically with the inclusion level of an exon, with each mutation having maximum effect at a predictable intermediate inclusion level. This scaling is observed genome-wide for cis and trans perturbations of splicing, including for natural and disease-associated variants. Mathematical modelling suggests that competition between alternative splice sites is sufficient to cause this non-linearity in the genotype-phenotype map. Combining the global scaling law with specific pairwise interactions between neighbouring mutations allows accurate prediction of the effects of complex genotype changes involving >10 mutations.

2019-01-17 | GSE111316 | GEO

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data