Navigation Links
LANL Roadrunner simulates nanoscale material failure
Date:10/29/2009

LOS ALAMOS, New Mexico, October 29, 2009 Very tiny wires, called nanowires, made from such metals as silver and gold, may play a crucial role as electrical or mechanical switches in the development of future-generation ultrasmall nanodevices.

Making nanodevices work will require a deep understanding of how these and other nanostructures can be engineered and fabricated as well as their resultant strengths and weaknesses. How mechanical properties change at the nanoscale is of fundamental interest and may have implications for a variety of nanostructures and nanodevices.

A major limiting factor to this understanding has been that experiments to test how nanowires deform are many times slower than computer simulations can go, resulting in more uncertainty in the simulation predictions than scientists would like.

"Molecular dynamics simulations have been around for a long time," said Arthur Voter of the Theoretical Division at Los Alamos National Laboratory. "But the simulations have never before been able to mimic the atomistic tensile strength of nanowires at time scales that even come close to experimental reality."

Using the "parallel-replica dynamics" method for reaching long time scales that Voter developed, members of Voter's team adapted their computer code to exploit the Roadrunner supercomputer's hybrid architecture, allowing them to perform the first-ever simulation of a stretching silver nanowire over a period of a millisecond, or one-thousandth of a second, a time that approaches what can be tested experimentally.

"Bigger supercomputers have made it possible to perform simulations on larger and larger systems, but they have not helped much with reaching longer times -- the best we can do is still about a millionth of a second. However, with the parallel-replica algorithm, we can utilize the large number of processors to 'parallelize' time," said Voter. "Roadrunner is ideally suited to this algorithm, so now we can do simulations thousands of times longer than this."

With this new tool, scientists can better study what nanowires do under stress. "At longer time scales we see interesting effects. When the wires are stretched more slowly, their behavior changes -- the deformation and failure mechanisms are very different than what we've seen at shorter time scales," said Voter.

Through these simulations, Voter and his team are developing a better understanding of how materials behave when they are reduced to the size scale of a nanometer, or one-billionth of a meter. "At this scale, the motion of just one single atom can change the material's mechanical or electrical properties," said Voter, "so it is really helpful to have a tool that can give us full atomic resolution on realistic time scales, almost as if we are watching every atom as the experiment proceeds."


'/>"/>

Contact: Kevin Roark
knroark@lanl.gov
505-665-9202
DOE/Los Alamos National Laboratory
Source:Eurekalert

Related biology technology :

1. CCMR gets $2.9M for training grad students in nanoscale science
2. Penn engineers design computer memory in nanoscale form that retrieves data 1,000 times faster
3. CCMR gets $2.9M for training grad students in nanoscale science
4. Penn engineers design computer memory in nanoscale form that retrieves data 1,000 times faster
5. Peter Cummings to receive the 2007 AIChE Nanoscale Science and Engineering Forum Award
6. Sol-gel inks produce complex shapes with nanoscale features
7. New paper reveals nanoscale details of photolithography process
8. Scientists discover new method of observing interactions in nanoscale systems
9. UW paper in Science shows how some solids mimic liquids on nanoscale
10. Surface dislocation nucleation: Strength is but skin deep at the nanoscale, Penn engineers discover
11. Physicists discover gold can be magnetic on the nanoscale
Post Your Comments:
*Name:
*Comment:
*Email:
(Date:6/23/2016)... TORONTO , June 23, 2016 /PRNewswire/ - ... Ontario biotechnology company, Propellon ... the development and commercialization of a portfolio of ... cancers. Epigenetic targets such as WDR5 represent an ... contribute significantly in precision medicine for cancer patients. ...
(Date:6/23/2016)...  The Biodesign Challenge (BDC), a university competition that ... living systems and biotechnology, announced its winning teams at ... New York City . The teams, ... at MoMA,s Celeste Bartos Theater during the daylong summit. ... curator of architecture and design, and Suzanne Lee ...
(Date:6/23/2016)... Ky. , June 23, 2016 ... two Phase 1 clinical trials of its complement ... placebo-controlled, single and multiple ascending dose studies designed ... pharmacodynamics (PD) of subcutaneous injection in healthy adult ... subcutaneously (SC) either as a single dose (ranging ...
(Date:6/23/2016)... ... June 23, 2016 , ... Regulatory Compliance Associates® Inc. (RCA), ... free webinar on Performing Quality Investigations: Getting to Root Cause. ... no charge. , Incomplete investigations are still a major concern to the Regulatory ...
Breaking Biology Technology:
(Date:6/3/2016)... 3, 2016 Das ... Nepal hat ein 44 ... geprägter Kennzeichen, einschließlich Personalisierung, Registrierung und IT-Infrastruktur, ... Produktion und Implementierung von Identitätsmanagementlösungen. Zahlreiche renommierte ... Januar teilgenommen, aber Decatur wurde als konformste ...
(Date:6/2/2016)... The Weather Company , an IBM Business (NYSE: IBM ... which consumers will be able to interact with IBM Watson ... or text and receive relevant information about the product or ... long sought an advertising solution that can create a one-to-one ... valuable; and can scale across millions of interactions and touchpoints. ...
(Date:6/1/2016)... YORK , June 1, 2016 ... Technology in Election Administration and Criminal Identification to Boost ... to a recently released TechSci Research report, " Global ... By Region, Competition Forecast and Opportunities, 2011 - 2021", ... 24.8 billion by 2021, on account of growing security ...
Breaking Biology News(10 mins):