Molecular Dynamics of Surface-Moving Thermally Driven Nanocars
نویسندگان
چکیده
منابع مشابه
Molecular Dynamics of Surface-Moving Thermally Driven Nanocars.
We developed molecular models describing the thermally initiated motion of nanocars, nanosized vehicles composed of two to four spherical fullerene wheels chemically coupled to a planar chassis, on a metal surface. The simulations were aimed at reproducing qualitative features of the experimentally observed migration of nanocars over gold crystals as determined by scanning tunneling microscopy....
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امروزه سالیتون ها بعنوان امواج جایگزیده ای که تحت شرایط خاص بدون تغییر شکل در محیط منتشر می-شوند، زمینه مطالعات گسترده ای در حوزه اپتیک غیرخطی هستند. در این راستا توجه به پدیده پراش گسسته، که بعنوان عامل پهن شدگی باریکه نوری در آرایه ای از موجبرهای جفت شده، ظاهر می گردد، ضروری است، زیرا سالیتون های گسسته از خنثی شدن پراش گسسته در این سیستم ها بوسیله عوامل غیرخطی بوجود می آیند. گسستگی سیستم عامل...
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متن کاملRigid-Body Molecular Dynamics of Fullerene-Based Nanocars on Metallic Surfaces.
Methodical problems of coarse-grained-type molecular dynamics, namely, rigid-body molecular dynamics (RB MD), are studied by investigating the dynamics of nanosized molecular vehicles called nanocars that move on gold and silver surfaces. Specifically, we analyzed the role of thermostats and the effects of temperature, couplings, and correlations between rigid fragments of the nanocar molecule ...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2008
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct7002594