atomistic simulation – TechConnect Briefs

The concept of a representative atomic volume for a grain

Gubanov A., Vinogradov O., University of Calgary, CA

The approach in this project is to identify a Representative Atomic Volume (RAV) for a polycrystal grain, namely such grain sizes that the stress-strain relationship remains the same if the number of grains is fixed [...]

Deformation of Nanocrystalline Metals under Nanoscale Contact

Sansoz F., Dupont V., The University of Vermont, US

The nanoindentation of a columnar grain boundary (GB) network in nanocrystalline Al has been examined by atomistic simulation. Our intent was to gain fundamental understanding on the relationship between structure evolution at GBs and incipient [...]

Merging Atomistic and Continuum Simulations of Silicon Technology – The Best from the Two Worlds

Pichler P., Fraunhofer Institute for Integrated Circuits, DE

Simulation of diffusion processes during front-end silicon process stepes needs to address a variety of highly complicated phenomena. In industrial environments, such simulations are nearly entirely based on continuum approaches. The physics entering into the [...]

Practical Atomistic Dopant Diffusion Simulation of Shallow Junction Fabrication Processes and Intrinsic Fluctuations for sub-100nm MOSFETs

Hane M., Ezaki T., Ikezawa T., NEC Corporation, JP

We studied sophisticated shallow junction fabrication processes, i.e. spike-annealing and flash-lamp annealing, using our recently developed atomistic dopant diffusion simulator. Through its use of kinetic Monte Carlo procedure, considering all the possible charged species and [...]

Atomistic Simulation of Electro-Osmosis in a Nanometer-Scale Channel

Freund J.B., University of California at Los Angeles, US

An atomistic simulation of an electro-osmostic flow in a 50 ° A wide channel is performed to examine models for such flows and study its physical details. The working fluid considered is a 1.1M mean [...]

Coupling of Length Scales and Atomistic Simulation of a MEMS Device

Rudd R.E., Broughton J.Q., SFA, Inc., US

We simulate the dynamic and temperature dependent behavior of two different Micro-Electro-Mechanical Systems (MEMS) by utilizing recently developed parallel codes which enable a coupling of length scales. The novel techniques used in this simulation accurately [...]