Publications associées à Parallel algorithm for multiscale atomistic/continuum simulations using LAMMPS

Publications associées (30)

An adaptive phase field approach to 3D internal crack growth in rocks

Tao Xu, Michael Heap, Alexandra Roma Larisa Kushnir

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 ...

2024

Efficient and insightful descriptors for representing molecular and material space

Alexander Jan Goscinski

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 ...

EPFL2024

Modular segmentation, spatial analysis and visualization of volume electron microscopy datasets

Martin Weigert

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 ...

Nature Portfolio2024

Automated all-functionals infrared and Raman spectra

Nicola Marzari, Lorenzo Bastonero

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 ...

Nature Portfolio2024

Modeling friction and wear using an adaptive discrete-continuum coupling

Manon Eugénie Voisin--Leprince

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 ...

EPFL2024

Swift : a modern highly parallel gravity and smoothed particle hydrodynamics solver for astrophysical and cosmological applications

Yves Revaz, Yannick Michael Bahé, Loïc Hausammann, Mladen Ivkovic

Numerical simulations have become one of the key tools used by theorists in all the fields of astrophysics and cosmology. The development of modern tools that target the largest existing computing systems and exploit state-of-the-art numerical methods and ...

2024

Controlling crystal cleavage in focused ion beam shaped specimens for surface spectroscopy

Philip Johannes Walter Moll, Matthias Carsten Putzke

Our understanding of quantum materials is commonly based on precise determinations of their electronic spectrum by spectroscopic means, most notably angle-resolved photoemission spectroscopy (ARPES) and scanning tunneling microscopy. Both require atomicall ...

Aip Publishing2024

Quantifying the Unknown: Data-Driven Approaches and Applications in Energy Systems

Paul Scharnhorst

In light of the challenges posed by climate change and the goals of the Paris Agreement, electricity generation is shifting to a more renewable and decentralized pattern, while the operation of systems like buildings is increasingly electrified. This calls ...

EPFL2024

Toward Reliable Human Pose Forecasting With Uncertainty

Alexandre Massoud Alahi, Saeed Saadatnejad, Taylor Ferdinand Mordan

Recently, there has been an arms race of pose forecasting methods aimed at solving the spatio-temporal task of predicting a sequence of future 3D poses of a person given a sequence of past observed ones. However, the lack of unified benchmarks and limited ...

2024

Live-cell imaging powered by computation

Suliana Manley

The proliferation of microscopy methods for live-cell imaging offers many new possibilities for users but can also be challenging to navigate. The prevailing challenge in live-cell fluorescence microscopy is capturing intra-cellular dynamics while preservi ...

Nature Portfolio2024

A Streamline Upwind Petrov-Galerkin Reduced Order Method for Advection-Dominated Partial Differential Equations Under Optimal Control

Gianluigi Rozza, Fabio Zoccolan

In this paper we will consider distributed Linear-Quadratic Optimal Control Problems dealing with Advection-Diffusion PDEs for high values of the Peclet number. In this situation, computational instabilities occur, both for steady and unsteady cases. A Str ...

Walter De Gruyter Gmbh2024

Solute-strengthening in metal alloys with short-range order

William Curtin, Shankha Nag

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 ...

2024

Lotic-SIPCO2: Adaptation of an open-source CO2 sensor system and examination of associated emission uncertainties across a range of stream sizes and land uses

Andrew Lean Robison

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 ...

Association for the Sciences of Limnology and Oceanography (ASLO)2024

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

Congzhe Wang

Fiber-polymer composites consist of a polymer matrix and reinforcing fibers made of various materials. These composites exhibit exceptional properties, such as a high strength-to-weight ratio and excellent corrosion resistance, which has led to their incre ...

EPFL2024

Hausdorff dimension of fermions on a random lattice

Mattia Guerino Varrone

Geometric properties of lattice quantum gravity in two dimensions are studied numerically via Monte Carlo on Euclidean Dynamical Triangulations. A new computational method is proposed to simulate gravity coupled with fermions, which allows the study of int ...

Elsevier2024

TSLAM: a tag-based object-centered monocular navigation system for augmented manual woodworking

Yves Weinand, Julien Gamerro, Andrea Settimi, Hong-Bin Yang

TimberSLAM (TSLAM) is an object-centered, tag-based visual self-localization and mapping (SLAM) system for monocular RGB cameras. It was specifically developed to support a robust and augmented reality pipeline for close-range, noisy, and cluttered fabrica ...

2024

Orchestrating chromosome conformation capture analysis with Bioconductor

Cyril Matthey-Doret

Genome-wide chromatin conformation capture assays provide formidable insights into the spatial organization of genomes. However, due to the complexity of the data structure, their integration in multi-omics workflows remains challenging. We present data st ...

Nature Research2024

Technology-Aware Logic Synthesis for Superconducting Electronics

Giovanni De Micheli, Alessandro Tempia Calvino, Siang-Yun Lee, Dewmini Sudara Marakkalage, Mingfei Yu, Rassul Bairamkulov

Superconducting electronics provide us with cryogenic digital circuits that can rival established technologies in performance and energy consumption. Today, the lack of tools for the design of large-scale integrated superconducting circuits is a major obst ...

2024

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

Roland Logé

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

Sauradeep Majumdar

The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...

EPFL2024