Internship On Monte Carlo Simulations Of Conipt Nanoparticles

13 Nov 2023

Job Information

Organisation/Company

CNRS

Department

CINAM/TSN

Research Field

Physics » Thermodynamics

Chemistry » Computational chemistry

Physics » Solid state physics

Researcher Profile

First Stage Researcher (R1)

Country

France

Application Deadline

1 Jan 2024 - 11:05 (Europe/Paris)

Type of Contract

Temporary

Job Status

Full-time

Is the job funded through the EU Research Framework Programme?

Not funded by an EU programme

Is the Job related to staff position within a Research Infrastructure?

No

Offer Description

Nowadays, high entropy alloy (HEA) nanoparticles (i.e. disordered nanoparticles with multiple components, all present in relatively high concentrations) are an active area of research, especially for their mechanical properties which could exceed those of conventional bimetallic nanoalloys. The synthesis and characterization of nanoalloys with more than two metals has seen significant experimental advancement, enabling precise control over their size, shape, and composition. The exact chemical arrangement in nanoalloys remains however challenging to observe experimentally. Nanoparticles also have a high surface to volume ratio which leads to a competition between volume and surface ordering/segregation phenomena. Understanding the surface structure is particularly challenging yet crucial for many applications (e.g. catalysis). As a result, researchers rely on simulations to complement the experimental data. Monte Carlo (MC) simulations are a powerful tool to predict the equilibrium structure at the atomic scale. These simulations can provide insights into the arrangement of atoms at the surface. By varying the simulation conditions of temperature, composition and size, we are able to investigate how these factors influence the structure and the chemical configuration of nanoparticles. These predictions can guide experimentalists and facilitate the design of nanoalloys for the application of interest.

During this internship, we aim to study, in collaboration with experimentalists, CoNiPt nanoparticles, a model HEA system with an ordering tendency. During this internship, MC simulations will be used to understand how size, composition, and temperature, affect the thermodynamic properties of CoNiPt nanoalloys.

Requirements

Research Field

Physics » Solid state physics

Education Level

Bachelor Degree or equivalent

Research Field

Physics » Solid state physics

Education Level

Master Degree or equivalent

Skills/Qualifications

- Master 1 or 2 student, in solid-state physics, materials science, nanosciences, or a related field. - Interested in thermodynamics, nanoparticles and numerical simulations. - Good knowledge of any programming language.

Languages

ENGLISH

Level

Good

Additional Information

Selection process

We welcome applications from candidates of all backgrounds, particularly those under-represented in the scientific community. If the internship topic interests you, we encourage you to apply even if you do not fit all of the requirements.

Additional comments

Duration: 4-6 months

Payment: 600 € per month

Work Location(s)

Number of offers available

1

Company/Institute

CNRS/CINAM/TSN

Country

France

City

Marseille

Street

Campus de Luminy

Geofield

Where to apply

E-mail

[email protected]

Contact

City

Marseille

Website

https: // www. cinam.univ-mrs.fr/cinam/

Street

Campus de Luminy

E-Mail

[email protected]

STATUS: EXPIRED