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In the pursuit of durable lithium–sulfur (Li–S) batteries, considerable research has been devoted to extending cycle life by developing advanced cathode materials. However, there exists a common overcharging problem which leads to the disfunction of Li–S b ...

In this study, a flexible, free-standing Fe -doped CoP nanoarrays electrode for superior lithium -ion storage has been successfully fabricated. The electrode combines the advantages of a Fe -doping and a flexible carbon cloth (CC) support, resulting in a h ...

CsSnI3 is a promising ecofriendly solution for energy harvesting technologies. It exists at room temperature in either a black perovskite polymorph or a yellow 1D double-chain, which irreversibly deteriorates in the air. In this work, we unveil the relativ ...

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

We examine the role of charge, structural, and spin degrees of freedom in the previously poorly understood phase transition in the 5d1 transition-metal double perovskite Cs2TaCl6 using a combination of computational and experimental techniques. Our heat ca ...

The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver algorithm aims to prepare the ground state of a Hamiltonian exploiting para ...

When exposed to a thermal gradient, reaction networks can convert thermal energy into the chemical selection of states that would be unfavourable at equilibrium. The kinetics of reaction paths, and thus how fast they dissipate available energy, might be do ...

In this manuscript we consider the problem of kernel classification. While worst-case bounds on the decay rate of the prediction error with the number of samples are known for some classifiers, they often fail to accurately describe the learning curves of ...

The difficulty in accurately measuring losses in high-frequency power converters hinders accurate breakdown of losses which is essential for device and circuit optimization. Electrical methods are often not adequate and calorimetric approaches found in the ...

Surface charge density is a critical factor in determining the output performance of triboelectric nanogenerators (TENGs). However, enhancing the surface charge density is a relatively complex process characterized by high cost, fast charge dissipation, an ...

The diffusion limit of kinetic systems has been subject of numerous studies since prominent works of Lebowitz et al. [1] and van Kampen [2]. More recently, the topic has seen a fresh interest from the rarefied gas simulation perspective. In particular, Fok ...

We consider the problem of nonparametric estimation of the drift and diffusion coefficients of a Stochastic Differential Equation (SDE), based on n independent replicates {Xi(t) : t is an element of [0 , 1]}13 d B(t), where alpha is an element of {0 , 1} a ...

The use of evaporative cooling in the gas diffusion layer (GDL) of polymer electrolyte fuel cells has been proposed as a simple yet impactful solution to simultaneously provide the functionality of cell cooling, thanks to the dissipation of the latent heat ...

Diffusion is one of the most important phenomena studied in science ranging from physics to biology and, in abstract form, even in social sciences. In the field of materials science, diffusion in crystalline solids is of particular interest as it plays a p ...

Successful application of diffusion chronometry is based on detailed knowledge of diffusion parameters obtained from laboratory experiments, which also need to be upscaled to be applied to natural samples. While generally applicable, several examples of di ...

Crystals and glasses exhibit fundamentally different heat conduction mechanisms: the periodicity of crystals allows for the excitation of propagating vibrational waves that carry heat, as first discussed by Peierls in 1929, while in glasses the lack of per ...

We present a numerical model for the simulation of 3D mono-dispersed sediment dynamics in a Newtonian flow with free surfaces. The physical model is a macroscopic model for the transport of sediment based on a sediment concentration with a single momentum ...

Atomistic simulations are a bottom up approach that predict properties of materials by modelling the quantum mechanical behaviour of all electrons and nuclei present in a system. These simulations, however, routinely assume nuclei to be classical particles ...

The extraction of shallow geothermal energy using borehole heat exchangers (BHEs) is a promising approach for decarbonisation of the heating sector. However, a dense deployment of BHEs may lead to thermal interference between neighboring boreholes and ther ...

AC-specific heat measurements remain as the foremost thermodynamic experimental method to underpin phase transitions in tiny samples. However, its performance under combined extreme conditions of high-pressure, very low temperature and intense magnetic fie ...

Brokering between tenants for an international materials acceleration platform

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Insights into the Overcharge-Induced Failure Mechanism of Lithium–Sulfur Batteries

Flexible free-standing Fe-CoP-NAs/CC nanoarrays for high-performance full lithium-ion batteries

First-Principles Thermodynamics of CsSnI3

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Charge multipole correlations and order in Cs2TaCl6

Phenomenological theory of variational quantum ground-state preparation

Dissipation-Driven Selection under Finite Diffusion: Hints from Equilibrium and Separation of Time Scales

Error scaling laws for kernel classification under source and capacity conditions

Microchannel-based Calorimeter for Rapid and Accurate Loss Measurements on High-efficiency Power Converters

A triboelectric nanogenerator coupled with internal and external friction for gesture recognition based on EHD printing technology

Entropic Fokker-Planck kinetic model

Nonparametric estimation for SDE with sparsely sampled paths: An FDA perspective

Multiphase transport and evaporative cooling in fuel cell gas diffusion layers

Atomic scale volume and grain boundary diffusion elucidated by in situ STEM

Diffusion timescale conundrum in contact metamorphism: Oxygen isotope and trace element profiles in dolomite

Thermal transport beyond Fourier, and beyond Boltzmann

Numerical simulation of sediment dynamics with free surface flows

Nuclear Quantum Effects: Fast and Accurate

Quantifying the technical geothermal potential from shallow borehole heat exchangers at regional scale

Journal of Physics: Conference Series High-pressure specific heat technique to uncover novel states of quantum matter