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

Publications associées (23)

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

Berend Smit, Emad Oveisi, Wendy Lee Queen, Pascal Alexander Schouwink, Christopher Patrick Ireland, Andres Adolfo Ortega Guerrero, Elias Moubarak, Jordi Espin Marti, Fatma Pelin Uran, Nency Patricio Domingues, Miriam Jasmin Pougin, Yutao Li

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 ...

NATURE PORTFOLIO2025

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

Lei Xu

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 ...

MDPI AG2025

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

Romuald Houdré, Nicolas Villa, Jun Wang, Enrico Tartari

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- ...

Zenodo2025

Distribution and diversity of classical deacylases in bacteria

Carlos Moreno Yruela

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. ...

Nature Portfolio2024

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

Nicola Marzari, Marnik Bercx, Carl Simon Adorf, Elena Gazzarrini

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 ...

Nature Portfolio2024

Rapid Mining of Fast Ion Conductors via Subgraph Isomorphism Matching

Mouyi Weng

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 ...

AMER CHEMICAL SOC2024

Partial crystallization in Pd-BMG systems: From understanding structure towards influencing functionality through temperature-time series

Roland Logé

Small quantities of crystalline domains created in an amorphous matrix are seen as an active driver for enhanced properties in bulk metallic glasses (BMGs). We investigated partial crystallization and phase transformations through a series of isotherms at ...

2024

Structural study of nickelate based heterostructures

Duncan Thomas Lindsay Alexander, Bernat Mundet, Chih-Ying Hsu

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 ...

Aip Publishing2024

The Electronic-Structure Genome of Inorganic Crystals

Junfeng Qiao

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 ...

EPFL2024

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

Sami Rtimi

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 ...

ELSEVIER SCIENCE SA2023

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

Karen Scrivener

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 ...

Pergamon-Elsevier Science Ltd2023

Insights on chemical and physical chloride binding in blended cement pastes

Karen Scrivener, Fabien Jacques Michel Georget, William Wilson

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 ...

Pergamon-Elsevier Science Ltd2022

Tensor network investigation of the hard-square model

Frédéric Mila, Samuel Louis Nyckees

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 ...

AMER PHYSICAL SOC2022

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

Roland Logé, Cyril Cayron, Junfeng Xiao

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 ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Commensurate-incommensurate transition in the chiral Ashkin-Teller model

Frédéric Mila, Samuel Louis Nyckees

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 ...

2022

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

Paul Bowen, Duncan Thomas Lindsay Alexander, Gabrielle Anne Laguisma Sblendorio

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 ...

ELSEVIER SCI LTD2021

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

Helmuth Berger, Henrik Moodysson Rønnow, Ivica Zivkovic, Bruce Normand, Luc Testa

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 ...

AMER PHYSICAL SOC2021

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

Roland Logé

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 ...

ELSEVIER SCI LTD2021

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

Giulia Grancini, Valentin Ianis Emmanuel Queloz

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 ...

Royal Society of Chemistry2020

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

Christoph Bostedt

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 ...

INT UNION CRYSTALLOGRAPHY2020