The paper, titled "Interface Mobility from Interface Random Walk", addresses computational issues in extracting interface kinetic parameters under experimentally relevant conditions. It is currently available online at: http://www.sciencemag.org/cgi/content/abstract/314/5799/632.
Interfaces are an important class of defects whose distribution affects the properties of the otherwise pristine material, both in nature and in technology. This is especially the case in polycrystals, thin films, multiphase materials, and composites, where the mechanical, chemical, and transport properties are sensitive to the underlying interfacial microstructure.
"In fact, tailoring this microstructure is an emerging paradigm for engineering high performance, multifunctional materials," said Zachary Trautt, a graduate student at Colorado School of Mines and the first author in the study.
The interfacial microstructure is subject to several driving forces during material synthesis and function. More often than not, these driving forces are large enough to cause the interfaces to move and the microstructure (or its precursor) evolves. Naturally, controlling the final microstructure requires accurate models that relate the interface motion to the driving forces in effect.
A quantitative measure of interface kinetics is the interface mobility, the ratio of the interface velocity to the driving force. Past studies on individual homophase crystalline interfaces (or grain boundaries) in several high-purity metals show an interesting trend; the experimental mobilities are orders of magnitude smaller than those extracted via computations. The discrepancy is often attributed to the presence of impurities, fueling speculation that even minute quantities of impurities significantly retard interface motion.
"An often overlooked fact is that computations are limited to tens of nanoseconds," saidMoneesh Upmanyu, co-author and the lead researcher in the study. "As a result, they are performed at driving forces orders of magnitude greater than those commonly observed in experiments," he explained. "This further weakens the comparison, and there is a need to extend the computational studies to more realistic driving forces, and include the effect of impurities."
"Our computational methodology offers a way to address both these challenges, efficiently and with setups that are relatively simple," said Trautt.
The basis for the methodology is the pioneering theoretical work by Einstein, Smulochowski and Langevin on Brownian motion in the early 1900s.
"Just as their study related the dance of macroscopic particles to their diffusivity, the microscopic thermal fluctuations result in interface forces that conspire towards a one-dimensional dance of the average interface position, which in turn yields its mobility in the zero driving force limit," said Alain Karma, also a co-author in the study.
"The technique is remarkably efficient," noted Upmanyu. "The computations on pure aluminum yielded mobilities within a nanosecond, a significant savings in computational resources."
Comparisons with previous experiments and computations reveal that the retarding effect of impurities is much more severe than previously thought. The authors are now working on extending the theory and the computations to directly quantify the impurity drag effect.
Laura Shea | EurekAlert!
Who can find the fish that makes the best sound?
28.02.2017 | Technische Universität Wien
Many Android password managers unsafe
28.02.2017 | Fraunhofer-Institut für Sichere Informationstechnologie SIT
On January 15, 2009, Chesley B. Sullenberger was celebrated world-wide: after the two engines had failed due to bird strike, he and his flight crew succeeded after a glide flight with an Airbus A320 in ditching on the Hudson River. All 155 people on board were saved.
On January 15, 2009, Chesley B. Sullenberger was celebrated world-wide: after the two engines had failed due to bird strike, he and his flight crew succeeded...
In the field of nanoscience, an international team of physicists with participants from Konstanz has achieved a breakthrough in understanding heat transport
Cells need to repair damaged DNA in our genes to prevent the development of cancer and other diseases. Our cells therefore activate and send “repair-proteins”...
The Fraunhofer IWS Dresden and Technische Universität Dresden inaugurated their jointly operated Center for Additive Manufacturing Dresden (AMCD) with a festive ceremony on February 7, 2017. Scientists from various disciplines perform research on materials, additive manufacturing processes and innovative technologies, which build up components in a layer by layer process. This technology opens up new horizons for component design and combinations of functions. For example during fabrication, electrical conductors and sensors are already able to be additively manufactured into components. They provide information about stress conditions of a product during operation.
The 3D-printing technology, or additive manufacturing as it is often called, has long made the step out of scientific research laboratories into industrial...
Nature does amazing things with limited design materials. Grass, for example, can support its own weight, resist strong wind loads, and recover after being...
13.02.2017 | Event News
10.02.2017 | Event News
09.02.2017 | Event News
28.02.2017 | Physics and Astronomy
28.02.2017 | Materials Sciences
28.02.2017 | Ecology, The Environment and Conservation