Atomistic Simulation Tools to Study Protein Self-Aggregation

Author(s):  
Deniz Meneksedag-Erol ◽  
Sarah Rauscher
2006 ◽  
Vol 103 (2) ◽  
pp. 67-75 ◽  
Author(s):  
L. Ferrand ◽  
P. Reynes ◽  
F. Le Duigou

2003 ◽  
Vol 775 ◽  
Author(s):  
Byeongchan Lee ◽  
Kyeongjae Cho

AbstractWe investigate the surface kinetics of Pt using the extended embedded-atom method, an extension of the embedded-atom method with additional degrees of freedom to include the nonbulk data from lower-coordinated systems as well as the bulk properties. The surface energies of the clean Pt (111) and Pt (100) surfaces are found to be 0.13 eV and 0.147 eV respectively, in excellent agreement with experiment. The Pt on Pt (111) adatom diffusion barrier is found to be 0.38 eV and predicted to be strongly strain-dependent, indicating that, in the compressive domain, adatoms are unstable and the diffusion barrier is lower; the nucleation occurs in the tensile domain. In addition, the dissociation barrier from the dimer configuration is found to be 0.82 eV. Therefore, we expect that atoms, once coalesced, are unlikely to dissociate into single adatoms. This essentially tells that by changing the applied strain, we can control the patterning of nanostructures on the metal surface.


Author(s):  
Hitoshi Tamiaki ◽  
Hiroyuki Kitamoto ◽  
Takuya Watanabe ◽  
Reiko Shibata
Keyword(s):  

Author(s):  
Van-Trang Nguyen ◽  
Minh-Quy Le

We study through molecular dynamics finite element method with Stillinger-Weber potential the uniaxial compression of (0, 24) armchair and (31, 0) zigzag black phosphorene nanotubes with approximately equal diameters. Young's modulus, critical stress and critical strain are estimated with various tube lengths. It is found that under uniaxial compression the (0, 24) armchair black phosphorene nanotube buckles, whereas the failure of the (31, 0) zigzag one is caused by local bond breaking near the boundary.


Author(s):  
Muntasir Muntasir ◽  
Pius Weraman

Community Partnership Program in small home industry of making fish floss brand "Savitri" and "Tiaras" inKupang city in the form of application of electric centrifugation filter model has been implemented. One of the problemsin the production of Savitri and Tiaras fish floss is that there is still a lot of oil in the frying product which is only drainedon a simple sieve and then placed for some time on traditional tools of filter and paper that can cause low quality and lowquality, so it is necessary to reduce the oil yield frying fish floss product. In order to increase the added value and sellingvalue of the products, it is necessary synergy between Universities and Partners in the form of application of the results ofscience and technology to the public. The main components of the composer of the versatile filter are the cylindrical plateas the bucket of the filter, the cylinder filter, the electric dynamo as the centrifuge system rotator and the load-bearingconstruction. The method of this program is the provision of materials, design and manufacture of tools, demonstrationtools and the provision of a versatile filter cylinder system centrifuge model by the team, simulation tools, specialcounseling at the location of partners and suggestions as a follow-up in the endurance of production. The output of thisprogram can provide added value in the form of the use of this tool can improve labor efficiency, increase productivitypartners by producing 40 kg to 50 kg raw material, raw fish marlin, fish meat after cleaning, processed, fried, in andpacked into 80-100 packs of fish floss with the price of Rp. 40,000.00 per package weighing 250 grams. With estimatedpartners will earn a profit of Rp 3,200,000 - 4,000,000.00 per production or 12,800,000.00 - 16,000,000.00 per month incash and consumptions, as well as the abundance of non-greasy, clean and hybrid fish products


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