Publications related to Molecular dynamics simulations of phase formation and stability in the Al(Ni) system under irradiation

Related publications (27)

Machine learning for metallurgy IV: A neural network potential for Al-Cu-Mg and Al-Cu-Mg-Zn

William Curtin, Daniel John Gilles Marchand

Most metallurgical properties, e.g., dislocation propagation, precipitate formation, can only be fully understood atomistically but most phenomena and quantities of interest cannot be measured experimentally. Accurate simulation methods are essential but f ...

2022

Neural Network Potentials for Age Hardening Aluminum Alloys

Daniel John Gilles Marchand

High-strength metal alloys achieve their performance via careful control of precipitates and solutes. The nucleation, growth, and kinetics of precipitation, and the resulting mechanical properties, are inherently atomic scale phenomena, particularly during ...

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

Development of High-Strength Aluminum Alloys for Additive Manufacturing

Marvin Lennard Schuster

Metal additive manufacturing (AM) offers the possibility to rapidly produce complex geometries that are not achievable with conventional manufacturing methods. The two most common technologies, Laser Powder Bed Fusion (LPBF) and Direct Metal Deposition (DM ...

EPFL2022

Modeling of precipitate strengthening with near-chemical accuracy: case study of Al-6xxx alloys

William Curtin, Yi Hu

Many metal alloys are strengthened by controlling precipitation to achieve an optimal peak-aged condi-tion where the strength-limiting processes of precipitate shearing and Orowan looping are thought to be comparable. Qualitative models have long captured ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Neural network potential for Al-Mg-Si alloys

William Curtin, Michele Ceriotti, Till Junge, Daniele Giofré

The 6000 series Al alloys, which include a few percent of Mg and Si, are important in automotive and aviation industries because of their low weight, as compared to steels, and the fact their strength can be greatly improved through engineered precipitatio ...

Amer Physical Soc2017

Atomistic mechanisms of hydrogen embrittlement

Ali Tehranchi

The detrimental effects of the H on the mechanical properties of the metals are known for more than a century. One of the most important degradation mechanisms is H embrittlement (HE). In this thesis, we examined a few famous proposed mechanisms in the fie ...

EPFL2017

Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules

Klaus Kern, Stephan Rauschenbach, Sabine Abb, Sven Alexander Szilagyi, Hannah Julia Ochner

Atomic design of a 2D-material such as graphene can be substantially influenced by etching, deliberately induced in a transmission electron microscope. It is achieved primarily by overcoming the threshold energy for defect formation by controlling the kine ...

WILEY-V C H VERLAG GMBH2021

Intrinsic fracture behavior of Mg-Y alloys

William Curtin, Eleanor Yi Kei Mak

Pure magnesium (Mg) is an attractive metal for structural applications due to its low density, but also has low ductility and low fracture toughness. Dilute alloying of Mg with rare earth elements in small amounts improves the ductility, but the effects of ...

2020

Solute strengthening in random alloys

William Curtin, Céline Varvenne

Random solid solution alloys are a broad class of materials that are used across the entire spectrum of engineering metals, whether as stand-alone materials (e.g. Al-57xxx alloys) or as the matrix in precipitate strengthening materials (e.g. Ni-based super ...

Elsevier2017

Concurrent multiscale modeling and theory of solute-strengthening for dilute and complex concentrated alloys

Shankha Nag

Under common processing conditions, both dilute and complex concentrated alloys are often realized as random alloys, with no correlation in the occupancy of lattice sites by the constituent atom types. The current thesis primary addresses two problems in r ...

EPFL2020

Solidification of Metallic Alloys: Does the Structure of the Liquid Matter?

Michel Rappaz, Güven Kurtuldu

In 1952, Frank (Proc R Soc Lond Ser-Math Phys Sci 215:43-46, 1952) already postulated that Icosahedral Short Range Order (ISRO) of atoms in the liquid could possibly explain the large nucleation undercoolings measured in metallic alloys by Turnbull and Fis ...

SPRINGER2020

Influence of icosahedral short range order on diffusion in liquids: A study on Al-Zn-Cr alloys

Michel Rappaz, Güven Kurtuldu

It has been shown recently that minute additions of Cr in Al-Zn alloys refine the solidified grain structure and induce multiply-twinned grains which can only be explained if the icosahedral symmetry is considered (Kurtuldu et al., 2013). It has been sugge ...

Elsevier2016

Charge transfer dynamics in Ar+ + CO

Eduardo Carrascosa Casado

Differential cross sections for the charge transfer reaction between Ar(+)and CO have been measured using three-dimensional velocity map imaging in a crossed beam setup at the two relative collision energies 0.55 and 0.74 eV. We find dominant forward scatt ...

Taylor & Francis2020

Secondary hardening in Co-Ni-Cr super-alloy investigated by Mechanical Spectroscopy

Daniele Mari, Raffaele Cosimati

The effects of thermal treatments on a Co-Ni-Cr super-alloy in the temperature range from 250 degrees C to 900 degrees C, resulting in secondary hardening, have been studied by Mechanical Spectroscopy. The simultaneous evolution of the internal friction sp ...

Elsevier2016

Microalloying for the controllable delay of precipitate formation in metal alloys

William Curtin

A model is presented to predict the effectiveness of dilute solutes in delaying precipitate formation, with application to natural and artificial aging in metal alloys. Control of aging is achieved via the binding, at natural aging temperatures, and releas ...

Elsevier2016

Atomic Scale Investigations into the Origins of Ductility in Mg Alloys

Rasool Ahmad

The industrial applications of Mg, the lightest structural metal, and abundant in Earth's crust, are hampered by its low intrinsic ductility and low fracture toughness at room temperature which is attributed to the underlying less symmetric and plastically ...

EPFL2020

On the sluggish recrystallization of a cold-rolled Al–Mn–Fe–Si alloy

Roland Logé, Ke Huang

Annealing of supersaturated AA3xxx alloys at low temperatures usually results in sluggish recrystallization kinetics. This is due to the joint effect of the following factors: low nucleation rate, reduced grain boundary mobility, and large amount of fine p ...

Springer Verlag2016

Évolution microstructurale et propriétés mécaniques d'un alliage Co-Ni-Cr

Raffaele Cosimati

This study concerns the evolution of the thermomechanical properties of new high-performance materials. In particular, we focus on the relationship between the microstructure and the mechanical properties of a superalloy based on Co-Ni-Cr. Superalloys are ...

EPFL2016

Measurement of Mechanical Coherency Temperature and Solid Volume Fraction in Al-Zn Alloys Using In Situ X-ray Diffraction During Casting

Jean-Marie Drezet, Güven Kurtuldu, Bastien Gilbert Pierre Mireux

During solidification of metallic alloys, coalescence leads to the formation of solid bridges between grains or grain clusters when both solid and liquid phases are percolated. As such, it represents a key transition with respect to the mechanical behavior ...

Springer Verlag2015