Publication

Parallel algorithm for multiscale atomistic/continuum simulations using LAMMPS

Publications associées (30)

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Modeling the 3D internal crack under compression entails complex fracture mechanics (mode I-II-III fracture), resulting in substantial computational costs and challenges in characterizing fracture morphology characterization for Phase Field Method (PFM) si ...

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Data-driven approaches have been applied to reduce the cost of accurate computational studies on materials, by using only a small number of expensive reference electronic structure calculations for a representative subset of the materials space, and using ...

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Volume electron microscopy is the method of choice for the in situ interrogation of cellular ultrastructure at the nanometer scale, and with the increase in large raw image datasets generated, improving computational strategies for image segmentation and s ...

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Automated all-functionals infrared and Raman spectra

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Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these measurements freq ...

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When two objects slide against each other, wear and friction occur at their interface. The accumulation of wear forms what is commonly referred to as a ``third-body''. Understanding third-body evolution has significant applications in industry, where contr ...

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Solute-strengthening in metal alloys with short-range order

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Recent surging interest in strengthening of High Entropy Alloys (HEAs) with possible chemical ordering motivates the development of new theory. Here, an existing theory for random alloys that accounts for solute-dislocation and solute–solute interactions i ...

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River networks play a crucial role in the global carbon cycle, as relevant sources of carbon dioxide (CO2) to the atmosphere. Advancements in high-frequency monitoring in aquatic environments have enabled measurement of dissolved CO2 concentration at tempo ...

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Two-dimensional quasi-static delamination in composite laminates under Mode-I and Mode-II conditions

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Hausdorff dimension of fermions on a random lattice

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Dislocation Hardening in a New Manufacturing Route of Ferritic Oxide Dispersion-Strengthened Fe-14Cr Cladding Tube

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The microstructure evolution associated with the cold forming sequence of an Fe-14Cr-1W-0.3Ti-0.3Y2O3 grade ferritic stainless steel strengthened by dispersion of nano oxides (ODS) was investigated. The material, initially hot extruded at 1100 degrees C an ...

MDPI2024

A diversity-driven discovery of potential nanoporous materials for energy-related applications

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EPFL2024