Why Are Ionic Liquids Liquid? A Simple Explanation Based on Lattice and Solvation Energies

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Neural networks have shown to be a powerful tool to represent the ground state of quantum many-body systems, including fermionic systems. However, efficiently integrating lattice symmetries into neural representations remains a significant challenge. In th ...

We prove a universality result that reduces the free energy of rank-one matrix estimation problems in the setting of mismatched prior and noise to the computation of the free energy for a modified Sherrington–Kirkpatrick spin glass. Our main result is an a ...

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Barocaloric (BC) materials provide cheaper and more energy efficient alternatives to traditional refrigerants. Some liquid alkanes were recently shown to exhibit a colossal BC effect, matching the entropy changes in commercial vapour-liquid refrigerants. D ...

Deep eutectic solvents (DESs) are novel mixtures that exhibit a significant depression in melting points compared to their individual components. This work finds that combining tetrabutylammonium borohydride (TBABH) with ammonia borane (AB) yields new, sta ...

Colloids self-organize into icosahedral clusters composed of a Mackay core and an anti-Mackay shell under spherical confinement to minimize the free energy. This study explores the variation of surface arrangements of colloids in icosahedral clusters, focu ...

The world by and large has adopted the The Paris Agreement, which commits any signing party to cut greenhouse emissions drastically and prevent global heating above 2 °C beyond pre-industrial levels. For this ambitious goal to be met, ratifying states need ...

Given two jointly distributed random variables (X,Y), a functional representation of X is a random variable Z independent of Y, and a deterministic function g(⋅,⋅) such that X=g(Y,Z). The problem of finding a minimum entropy functional representation is kn ...

Dispersion of objects in a fluid phase can be classified as solutions (Gibbs free energy of mixing, Delta G(mix) < 0) or suspensions (Delta G(mix) > 0) depending on their thermodynamic stability. Small objects tend to form solutions, larger ones suspension ...

Predictions of relative stabilities of (competing) molecular crystals are of great technological relevance, most notably for the pharmaceutical industry. However, they present a long-standing challenge for modeling, as often minuscule free energy differenc ...

Understanding how proteins fold into their native structure is a fundamental problem in biophysics, crucial for protein design. It has been hypothesized that the formation of a molten globule intermediate precedes folding to the native conformation of glob ...

Machine-learning potentials are usually trained on the ground-state, Born-Oppenheimer energy surface, which depends exclusively on the atomic positions and not on the simulation temperature. This disregards the effect of thermally excited electrons, that i ...

The contact nature when monolayer blue phosphorus (blueP) interfaces with three transition metal electrodes (i. e., Pd, Ir, and Pt) was unraveled by the ab initio density functional theory calculations. Specifically, n-type Schottky contact is observed for ...

The response of the soil-structure interface can significantly affect the performance of any geotechnical structure. Thermal cycles are a new factor that influence the response to all structures that have an energy function in addition to the structural on ...

The growth modulation of metal nanocrystals (NCs) by Ostwald ripening (OR) involves control of the relocation of matter by diffusional mass transfer from the dissolution of small nanocrystals (SNCs) towards large nanocrystals whose surface energy is lower. ...

This paper proposes and experimentally validates a distributed temperature alarm system based on carbon dioxide (CO2)-filled 18 m side air-holes fiber (SAHF), interrogated through a conventional (incoherent) optical time-domain reflectometer (OTDR). Custom ...

Although important for atmospheric processes and gas-phase catalysis, very little is known about the hydration state of ions in the vapor phase. Here we study the evaporation energetics and kinetics of a chloride ion from liquid water by molecular dynamics ...

We prove a quantitative version of the classical Tits' alternative for discrete groups acting on packed Gromov-hyperbolic spaces supporting a convex geodesic bicombing. Some geometric consequences, as uniform estimates on systole, diastole, algebraic entro ...

This thesis is a detailed description of three experimental investigations on aqueous interfaces. All projects made use of the microjet technology or the more recently developed flat-jet technique which enables the implementation of liquid water in vacuum ...

Magnetostriction results from the coupling between magnetic and elastic degrees of freedom. Though it is associated with a relatively small energy, we show that it plays an important role in determining the site of an implanted muon, so that the energetica ...

Why Are Ionic Liquids Liquid? A Simple Explanation Based on Lattice and Solvation Energies

Chattez avec Graph Search

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