Publications associées à Structural, physical and damping properties of melt-spun Ni-Mn-Ga wire-epoxy composites

Surface segregation in high-entropy alloys from alchemical machine learning

Michele Ceriotti, Sandip De, Nataliya Lopanitsyna, Guillaume André Jean Fraux, Arslan Mazitov

High-entropy alloys (HEAs), containing several metallic elements in near-equimolar proportions, have long been of interest for their unique mechanical properties. More recently, they have emerged as a promising platform for the development of novel heterog ...

Iop Publishing Ltd2024

Modelling of metal alloys in realistic conditions with machine learning

Nataliya Lopanitsyna

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 ...

EPFL2023

Micromechanics of oxide inclusions in ferrous alloys

Alejandra Inés Slagter

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 ...

EPFL2023

A data-driven interpretation of the stability of organic molecular crystals

Michele Ceriotti, Edgar Albert Engel, Maria Pakhnova

Due to the subtle balance of intermolecular interactions that govern structure-property relations, predicting the stability of crystal structures formed from molecular building blocks is a highly non-trivial scientific problem. A particularly active and fr ...

ROYAL SOC CHEMISTRY2023

Modeling high-entropy transition metal alloys with alchemical compression

Michele Ceriotti, Sandip De, Nataliya Lopanitsyna, Guillaume André Jean Fraux

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 ...

AMER PHYSICAL SOC2023

Murunskite - a new class of functional material

Davor Tolj

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

EPFL2023

Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid

Tomasz Poreba

The thermal behavior of 3-benzoylpropionic acid (BPA) was investigated using single-crystal and synchrotron powder X-diffraction, as well as differential scanning calorimetry analysis. The study revealed the existence of two subtly distinct structures of B ...

ROYAL SOC CHEMISTRY2023

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

Christian Santschi, Olivier Martin, Debdatta Ray, Jeonghyeon Kim, Hsiang-Chu Wang

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 ...

Wiley-V C H Verlag Gmbh2022

Anti-Jahn-Teller effect induced ultrafast insulator to metal transition in perovskite BaBiO3

Changpeng Lin, Ben Xu

The Jahn-Teller (JT) effect involves the ions M with a degenerate electronic state distorting the corner-sharing MO6 octahedra to lift the degeneracy, inducing strong coupling of electrons to lattice, and mediating the exotic properties in perovskite oxide ...

NATURE PORTFOLIO2022

Deformation twinning mechanism in magnesium at the microscale: strain rate, temperature and orientation effects

Nicolò Maria Della Ventura

The project aims to validate some recent theoretical developments on the deformation twinning nucleation mechanism in HCP metals through small-scale mechanic experiments. To this end, a systematic investigation of the mechanical response of pure magnesium ...

EPFL2022

Computational Studies of the Proton-Coupled Metal Ion Transport in the SLC11/NRAMP Family of Transporters

Maria Letizia Merlini

In the last years, it has been demonstrated a link between the overload of metal ions inside nervous system cells and the onset of severe neurodegenerative diseases. This prompted the investigation of the structural and functional properties of transporter ...

EPFL2022

Processability, microstructure and precipitation of a Zr-modified 2618 aluminium alloy fabricated by laser powder bed fusion

Christian Leinenbach, Xavier Maeder

Additive manufacturing offers the opportunity to produce complex geometries from novel alloys with improved properties. Adapting conventional alloys to the process-specific properties can facilitate rapid implementation of these materials in industrial pra ...

2022

Synthesis and investigation of the thermal proper- ties of [Co(N H-3)(6)] [Co(C2O4)(3)]center dot 3H(2)O and [Ir(NH3)(6)][Ir(C2O4)(3)]

Ilia Kochetygov

The complexes [Co (NH3)(6)][Ir (C2O4)(3)] and [Ir(NH3)(6)][Co (C2O4)(3)center dot H2O have previously been synthesized and their thermal properties studied. The [Ir(NH3)(6)][Ir(C2O4)(3)] and [Co(NH3)(6)][Co(C2O4)(3)]center dot 3H(2)O complexes considered h ...

INT UNION CRYSTALLOGRAPHY2022

The thermally activated deformation behaviour of single-crystalline microcast aluminium wires

Andreas Mortensen, Léa Deillon, Suzanne Godelieve Alphonsine Verheyden

A microcasting process is used to produce high aspect ratio ( > 30) monocrystalline pure aluminium wires with a diameter between 14 and 115 mu m. The role of thermal activation in the plastic deformation of these microwires is measured by means of (single) ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Galvanic replacement reactions of Ga and In with Cu for the synthesis of bimetallic nanoparticles

Laia Castilla Amorós

The need for efficient and selective catalysts, capable of driving important conversions to build a more sustainable society, encourages the development of synthetic approaches towards new nanomaterials. Cu-based bimetallic nanoparticles (NPs) promise to f ...

EPFL2022

A ductility criterion for bcc high entropy alloys

William Curtin, Binglun Yin, Eleanor Yi Kei Mak

A current goal driving alloy development is the identification of alloy compositions for high temperature applications but with the additional requirement of sufficient ductility at ambient temperatures. Multicomponent, single-phase, polycrystalline High E ...

PERGAMON-ELSEVIER SCIENCE LTD2021

Atomic scale investigations of fracture in metal alloys

Eleanor Yi Kei Mak

The demand for metal alloys with superior structural performance in industrial applications continues to increase, as does the need for more-energy efficient materials and methods. Many materials that are otherwise attractive for structural applications ar ...

EPFL2021

Giant hardening response in AlMgZn(Cu) alloys

William Curtin, Daniel John Gilles Marchand

This study presents a thermomechanical processing concept which is capable of exploiting the full industrial application potential of recently introduced AlMgZn(Cu) alloys. The beneficial linkage of alloy design and processing allows not only to satisfy th ...

PERGAMON-ELSEVIER SCIENCE LTD2021

Crystal Structures of AlCr2 and MoSi2: Same Structure Type vs. Different Bonding Pattern

Philip Johannes Walter Moll

In a joint effort utilizing modified sample preparation, microscopy, X-ray diffraction and micro-fabrication, it became possible to prepare single crystals of the "hidden" phase AlCr2. High-resolution X-ray diffraction analysis is described in detail for t ...

2021

{10(1)over-bar2} twinning mechanism during in situ micro-tensile loading of pure Mg: Role of basal slip and twin-twin interactions

Johann Michler, Amit Sharma, Daniele Casari, Roland Logé, Xavier Maeder, Nicolò Maria Della Ventura

An SEM in situ uniaxial tensile testing setup allowing HR-EBSD acquisition during deformation was used to study the extension twinning mechanism in magnesium(Mg) at the micron scale. Structures were fabricated with two different crystal orientations, respe ...

2021