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Primeur weekly 2021-01-11

Exascale supercomputing

Preparing an earthquake risk assessment application for exascale ...

Quantum computing

A bit too much: reducing the bit width of Ising models for quantum annealing ...

The world's first integrated quantum communication network ...

Focus on Europe

GBP 20 million funding boost for science supercomputer will drive science simulation and UK-wide innovation ...

Northern Data acquires data centre site in Northern Sweden fully powered by green energy ...

Research and Markets to issue report on High Performance Computing (HPC) Market by Component, Deployment Type, Organization Size, Server Prices Band, Application Area, and Region - Global Forecast to 2025 ...

Environmental researchers benefit from powerful supercomputer at Plymouth Marine Laboratory ...

Middleware

XSEDE welcomes new service providers ...

Hardware

IBM appoints Gary D. Cohn as Vice Chairman ...

IBM appoints Martin Schroeter as CEO of "NewCo" independent managed infrastructure services business to spin out from IBM ...

Light-based processors boost machine-learning processing ...

E4 Computer Engineering announces University of Pisa as the first customer of Ultrafast Storage, Totally Integrated (USTI), the new solution for high performance distributed block storage ...

Existing Northern Data bitcoin mining customer expands contract volume by more than 200 MW ...

Power XL Pro launched as new professional server based on AMD EPYC technology ...

Swinburne-led research team demonstrates world's fastest optical neuromorphic processor ...

Applications

Supercomputer models describe chloride's role in corrosion ...

HPC-AI Advisory Council to host HPC AI AC Conference in Japan on January, 26 ...

Insights through atomic simulation ...

Advanced materials in a snap ...

New data-driven global climate model provides projections for urban environments ...

Frequency data for stable power supply ...

Physicists observe competition between magnetic orders ...

UTSA Artificial Intelligence Consortium receives over $1 million in research funding ...

Entangling electrons with heat ...

NIO partners with NVIDIA to develop a new generation of automated driving electric vehicles ...

Navantia leverages Ansys' digital transformation solutions to design next-gen naval vessels ...

Engineering graduate student places second in international research competition ...

The Cloud

Covid-19 genome sequencing project gets major upgrade ...

IBM provides Harris-Stowe State University with $2 million in Artificial Intelligence and open hybrid Cloud technology resources to help students build modern skills ...

IBM and Avertra collaborate to drive digital transformation for energy & utilities clients with IBM Cloud ...

UJET CCaaS Cloud contact centre now available on Oracle Cloud Marketplace ...

Supercomputer models describe chloride's role in corrosion


Surface structural changes to iron passive films caused by the adsorption of OH and/or Cl. (a) Fe(OH)3, (b) Fe(OH)2Cl, (c) Fe(OH)Cl2, (d) FeCl3. The location of the edge Fe atom prior to the adsorption is shown with an orange dashed line. Atoms types indicated by white (H), royal blue (Cl), large pink (Fe) and small red (O) spheres. Credit: Oregon State University College of Engineering.
5 Jan 2021 San Diego - Researchers have been studying chloride's corrosive effects on various materials for decades. Now thanks to high-performance computers at the San Diego Supercomputer Center (SDSC) and the Texas Advanced Computing Center (TACC), detailed models have been simulated to provide new insight on how chloride leads to corrosion.

Conducted by a team from Oregon State University's (OSU) College of Engineering, a study discussing this newfound information was published inMaterials Degradation, aNaturepartner journal.

"Steels are the most widely used structural metals in the world and their corrosion has severe economic, environmental, and social implications", stated study co-author Burkan Isgor, an OSU civil and construction engineering professor. "Understanding the process of how protective passive films break down helps us custom design effective alloys and corrosion inhibitors that can increase the service life of structures that are exposed to chloride attacks."

Burkan Isgor worked closely with OSU School of Engineering colleague Líney Árnadóttir as well as graduate students Hossein DorMohammadi and Qin Pang on conducting the study. As a chemical engineering associate professor, Líney Árnadóttir said her work often uses computational methods to study chemical processes on surfaces with applications in materials degradation.

"We frequently collaborate with experimental groups and use experimental surface science tools to complement our computational methods", she stated. "For this study we relied on allocations from the National Science Foundation's (NSF) Extreme Science and Engineering Discovery Environment (XSEDE) so that we could use Comet and Stampede2 to combine different computational analyses and experiments applying fundamental physics and chemistry approaches to an applied problem with potentially great societal impact."

The OSU team used a method called density functional theory (DFT) to investigate the structural, magnetic, and electronic properties of the molecules involved. Their simulations were also corroborated by others using reactive molecular dynamics (Reax-FF MD), which allowed them to accurately model the chemistry-based nanoscale processes that lead to chloride-induced breakdown of iron passive films.

"Modelling degradation of oxide films in complex environments is computationally very expensive, and can be impractical even on a small local cluster", stated Burkan Isgor. "Not only do Comet and Stampede2 make it possible to work on more complex, more realistic, and industrially relevant problems, but also these high-performance computers let us do so within a reasonable timeframe, moving knowledge forward."

This work was supported by the NSF, CMMI (1435417). Part of the calculations used XSEDE (TG-ENG170002, TG-DMR160093), which is supported by NSF (ACI-1053575).
Source: San Diego Supercomputer Center - SDSC

Back to Table of contents

Primeur weekly 2021-01-11

Exascale supercomputing

Preparing an earthquake risk assessment application for exascale ...

Quantum computing

A bit too much: reducing the bit width of Ising models for quantum annealing ...

The world's first integrated quantum communication network ...

Focus on Europe

GBP 20 million funding boost for science supercomputer will drive science simulation and UK-wide innovation ...

Northern Data acquires data centre site in Northern Sweden fully powered by green energy ...

Research and Markets to issue report on High Performance Computing (HPC) Market by Component, Deployment Type, Organization Size, Server Prices Band, Application Area, and Region - Global Forecast to 2025 ...

Environmental researchers benefit from powerful supercomputer at Plymouth Marine Laboratory ...

Middleware

XSEDE welcomes new service providers ...

Hardware

IBM appoints Gary D. Cohn as Vice Chairman ...

IBM appoints Martin Schroeter as CEO of "NewCo" independent managed infrastructure services business to spin out from IBM ...

Light-based processors boost machine-learning processing ...

E4 Computer Engineering announces University of Pisa as the first customer of Ultrafast Storage, Totally Integrated (USTI), the new solution for high performance distributed block storage ...

Existing Northern Data bitcoin mining customer expands contract volume by more than 200 MW ...

Power XL Pro launched as new professional server based on AMD EPYC technology ...

Swinburne-led research team demonstrates world's fastest optical neuromorphic processor ...

Applications

Supercomputer models describe chloride's role in corrosion ...

HPC-AI Advisory Council to host HPC AI AC Conference in Japan on January, 26 ...

Insights through atomic simulation ...

Advanced materials in a snap ...

New data-driven global climate model provides projections for urban environments ...

Frequency data for stable power supply ...

Physicists observe competition between magnetic orders ...

UTSA Artificial Intelligence Consortium receives over $1 million in research funding ...

Entangling electrons with heat ...

NIO partners with NVIDIA to develop a new generation of automated driving electric vehicles ...

Navantia leverages Ansys' digital transformation solutions to design next-gen naval vessels ...

Engineering graduate student places second in international research competition ...

The Cloud

Covid-19 genome sequencing project gets major upgrade ...

IBM provides Harris-Stowe State University with $2 million in Artificial Intelligence and open hybrid Cloud technology resources to help students build modern skills ...

IBM and Avertra collaborate to drive digital transformation for energy & utilities clients with IBM Cloud ...

UJET CCaaS Cloud contact centre now available on Oracle Cloud Marketplace ...