Melting Curve of Black Phosphorus: Evidence for a Solid-Liquid-Liquid Triple Point

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Pyrene-based metal-organic frameworks (MOFs) have tremendous potential for various applications. With infinite structural possibilities, the MOF community often relies on simulations to identify the most promising candidates for given applications. Among t ...

The effect of elevated temperatures and subsequent rehydration on the microscopic mechanical properties and physicochemical changes of cement pastes was investigated. Cement pastes with different grades (CEM I 42.5, CEM I 52.5) and different water-to-cemen ...

The project data will be organised in the following folder system : One main folder for the each subproject : GaN nonlinear optics and Optical trapping Each folder is organised in the following sub-folder system (not all may be used), each with a readme- ...

Classical Zn2+-dependent deac(et)ylases play fundamental regulatory roles in life and are well characterized in eukaryotes regarding their structures, substrates and physiological roles. In bacteria, however, classical deacylases are less well understood. ...

Why are materials with specific characteristics more abundant than others? This is a fundamental question in materials science and one that is traditionally difficult to tackle, given the vastness of compositional and configurational space. We highlight he ...

The rapidly evolving field of inorganic solid-state electrolytes (ISSEs) has been driven in recent years by advances in data-mining techniques, which facilitates the high-throughput computational screening for candidate materials in the databases. The key ...

Heterostructures consisting of SmNiO3 and NdNiO3 alternating layers with additional LaAlO3 spacer layers were grown and fully characterized by means of x-ray diffraction, atomic force microscopy, and scanning transmission electron microscopy. A change in t ...

Electronic structure theory plays a central role in understanding properties of crystalline materials. Among all the ab initio methods, density functional theory (DFT) is the most popular choice due to its balance between accuracy and computational cost, a ...

Ternary-based titanium nitride (TiN) thin films have drawn attention toward rational applications due to their wear resistance, high hardness, and corrosion resistance. The influence of Mo content on the structural, tribo-logical, and mechanical properties ...

The effect of equilibration time on the composition, structure and solubility of calcium aluminate silicate hydrate (C-A-S-H) was investigated in 0.5 M NaOH solutions at Al/Si = 0.1. Longer equilibration time led to longer silica chains, to less Na and, to ...

This study investigates chloride binding in blended cement pastes exposed to 0.5 M NaCl solutions (with and without pH adjustment) using X-ray diffraction and energy-dispersive X-ray spectroscopy image analysis (edxia). The aim is to better understand the ...

Using the corner-transfer matrix renormalization group to contract the tensor network that describes its partition function, we investigate the nature of the phase transitions of the hard-square model, one of the exactly solved models of statistical physic ...

Variant reorientation is a ubiquitous phenomenon in shape memory alloys and has a great influence on their texture and mechanical response. In the present study, a martensitic NiTi rolled sheet is investigated by the electron backscattering diffraction (EB ...

We investigate the classical chiral Ashkin-Teller model on a square lattice with the corner transfer matrix renormalization group algorithm. We show that the melting of the period-4 phase in the presence of a chiral perturbation takes different forms depen ...

The question whether beta-tricalcium phosphate (beta-TCP) can form a solid solution with beta-calcium pyrophosphate (beta-CPP) and/or hydroxyapatite (HA) has still not been solved. For this reason, wet-chemically synthesized beta-TCP powders with only 20 p ...

Quantum magnets display a wide variety of collective excitations, including spin waves (magnons), coherent singlet-triplet excitations (triplons), and pairs of fractional spins (spinons). These modes differ radically in nature and properties, and in all co ...

Two new ferrito-martensitic oxide dispersion strengthened (ODS) steels reinforced with (Y, Ti, O) nanoparticles were elaborated using a high-energy attritor. The milled powder was consolidated by hot extrusion at 1050 degrees C. The two types of ODS steels ...

The role of halide substitution in a lead-free 2D hybrid perovskite is investigated on the BZA(2)SnX(4) (BZA = benzylammonium; X = Cl, Br and I) system, by reporting the synthesis and the structural analysis by means of single-crystal X-ray diffraction dat ...

With the emergence of X-ray free-electron lasers, it is possible to investigate the structure of nanoscale samples by employing coherent diffractive imaging in the X-ray spectral regime. In this work, we developed a refinement method for structure reconstr ...

In this work, Li-rich Li1.2Mn0.43+Mnx4+Ti0.4-xO2 (LMMxTO, 0

Melting Curve of Black Phosphorus: Evidence for a Solid-Liquid-Liquid Triple Point

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Unraveling metal effects on CO2 uptake in pyrene-based metal-organic frameworks

Microscopic Mechanical Properties and Physicochemical Changes of Cement Paste Exposed to Elevated Temperatures and Subsequent Rehydration

Si and III-nitride based photonic crystal cavities for optical trapping and non-linear optics

Distribution and diversity of classical deacylases in bacteria

The rule of four: anomalous distributions in the stoichiometries of inorganic compounds

Rapid Mining of Fast Ion Conductors via Subgraph Isomorphism Matching

Structural study of nickelate based heterostructures

The Electronic-Structure Genome of Inorganic Crystals

Effect of Mo addition on the mechanical and tribological properties of magnetron sputtered TiN films

Kinetics of Al uptake in synthetic calcium silicate hydrate (C-S-H)

Insights on chemical and physical chloride binding in blended cement pastes

Tensor network investigation of the hard-square model

An investigation on reorientation and textural evolution in a martensitic NiTi rolled sheet using EBSD

Commensurate-incommensurate transition in the chiral Ashkin-Teller model

Chemically pure beta-tricalcium phosphate powders: Evidence of two crystal structures

Triplons, magnons, and spinons in a single quantum spin system: SeCuO3

Characterization of untransformed ferrite in 10Cr and 12Cr ODS steels

Exploring the role of halide mixing in lead-free BZA(2)SnX(4) two dimensional hybrid perovskites

Refinement for single-nanoparticle structure determination from low-quality single-shot coherent diffraction data

Mn4+-Substituted Li-Rich Li1.2Mn0.43+Mnx4+Ti0.4-xO2 Materials with High Energy Density