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Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...

Existing machine learning potentials for predicting phonon properties of crystals are typically limited on a material-to-material basis, primarily due to the exponential scaling of model complexity with the number of atomic species. We address this bottlen ...

Secondary electron emission is an important process that plays a significant role in several plasma-related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliabl ...

Oxide inclusions are inevitably present in steel as a direct consequence of the steelmaking process; as a result, a cubic centimetre of modern steel will generally contain about a million of these hard and brittle micrometre-sized ceramic particles. Inclus ...

Alloys composed of several elements in roughly equimolar composition, often referred to as high-entropy alloys, have long been of interest for their thermodynamics and peculiar mechanical properties, and more recently for their potential application in cat ...

Computer simulations based on statistical methods have emerged as a powerful tool for studying structure-property relationships at the atomistic level. However, to provide reliable insights into materials in realistic conditions, it is essential to accurat ...

With the fast-growing accumulation of electronic waste and rising demand for rare metals, it is compelling to develop technologies that can promotionally recover targeted metals, like gold, from waste, a process referred to as urban mining. Thus, there is ...

One of the main goals of organometallic chemistry in the last decades was the activation of small molecule in mild reaction conditions. Even though multiple examples of catalytic cycles able to produce fine chemicals from cheap and abundant sources using t ...

Inorganic nanoparticles (NPs) have emerged as promising tools in biomedical applications, owing to their inherent physicochemical properties and their ease of functionalization. In all potential applications, the surface functionalization strategy is a key ...

Porous carbonaceous preforms, made from graphite and silicon carbide (SiC) powders, with varying graphite powder mass fractions and particle sizes, were infiltrated at 1500 degrees C and 1700 degrees C by Si-8 at. pct Zr alloy to produce dense Si-Zr-SiC co ...

We introduce the elliptical Ornstein-Uhlenbeck (OU) process, which is a generalisation of the well-known univariate OU process to bivariate time series. This process maps out elliptical stochastic oscillations over time in the complex plane, which are obse ...

Regular arrays of colloidal particles can produce striking structural colors without the need for any chemical pigments. Regular arrays of colloidal particles can be processed into microparticles via emulsion templates for use as structural colorants. Phot ...

We report thorough measurements of surface plasmon polaritons (SPPs) running along nearly perfect air-gold interfaces formed by atomically flat surfaces of chemically synthesized gold monocrystals. By means of amplitude-and phase-resolved near-field micros ...

The dissolution kinetics of silica-containing minerals in aggregates influences strongly the process of ASR in concrete. In this paper, the effect of different ions on the dissolution rates of SiO2 (amorphous and quartz) and feldspars at high pH values was ...

Chaotic dynamics in systems ranging from low-dimensional nonlinear differential equations to high-dimensional spatiotemporal systems including fluid turbulence is supported by nonchaotic, exactly recurring time-periodic solutions of the governing equations ...

In this work, the mechanisms leading to the pore closure in reactive melt infiltration (RMI) of carbon by pure silicon and a near eutectic Si-8 at-pct Zr alloy at 1500 and 1700 degrees C under vacuum were studied. Various geometrical configurations of micr ...

Materials with thermal-invariant elastic properties are of interest for resonant device frequency and dimensional stability of precision devices. Here, we demonstrate that the temperature coefficient of elasticity (TCE) of amorphous silica can be locally r ...

This paper investigates the effect of KOH and NaOH on C-S-H structure and solubility. Both KOH and NaOH have a similar effect, they increase pH values and silicon concentrations, and decrease calcium concentrations. At higher alkali hydroxide concentration ...

The material and exact shape of a nanostructure determine its optical response, which is especially strong for plasmonic metals. Unfortunately, only a few plasmonic metals are available, which limits the spectral range where these strong optical effects ca ...

In this thesis, we mainly utilize silver to construct the meta-atoms. Although suffering from easily oxidized, its excellent lossless property throughout the visible range makes it suitable for study. When preserved properly, silver-made metasurfaces can s ...

Pièce en céramique pigmentée

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Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

Plasmonic effects in the neutralization of slow ions at a metallic surface

Micromechanics of oxide inclusions in ferrous alloys

Modeling high-entropy transition metal alloys with alchemical compression

Modelling of metal alloys in realistic conditions with machine learning

A customized MOF-polymer composite for rapid gold extraction from water matrices

Tuning the reactivity of uranium towards small molecules in multimetallic complexes

Modulating the Surface Properties of Lithium Niobate Nanoparticles by Multifunctional Coatings Using Water-in-Oil Microemulsions

Liquid metal infiltration of silicon based alloys into porous carbonaceous materials Part-III: Experimental verification of conversion products and infiltration depth by infiltration of Si-Zr alloy into mixed SiC/ graphite preforms

The elliptical Ornstein-Uhlenbeck process

Hydrogel-Encased Photonic Microspheres with Enhanced Color Saturation and High Suspension Stability

Ultimate Limit for Optical Losses in Gold, Revealed by Quantitative Near-Field Microscopy

Effect of different ions on dissolution rates of silica and feldspars at high pH

Constructing periodic orbits of high-dimensional chaotic systems by an adjoint-based variational method

Liquid metal infiltration of silicon based alloys into porous carbonaceous materials. Part II: Experimental verification of modelling approaches by infiltration of Si-Zr alloy into idealized microchannels

Abnormal temperature dependent elastic properties of fused silica irradiated by ultrafast lasers

Effect of alkali hydroxide on calcium silicate hydrate (C-S-H)

A Low-Temperature Annealing Method for Alloy Nanostructures and Metasurfaces: Unlocking a Novel Degree of Freedom

Optical metasurfaces: synthesis, nanofabrication, and colorful applications