| ||||||||||||||
Lesen Sie diese Seite auf deutsch
| ||||||||||||||
|
xirrus update: Molecular Dynamics Simulation - August 2009
xirrus in the pressThe professional journal "Simulation News Europe" published an article about our speciality of molecular dynamics simulation. It is an introduction to the method, which mimics the motion of atoms based on their physical and chemical principles. In a second step, conclusions are drawn in regard to structure, dynamics, properties and peculiarities of the involved materials, which often cannot be inferred from experiment. Thus, simulation is a valuable complement to other techniques.If you would like to obtain a copy of this article, please inquire here. Superficial - yet profoundUsing the above-mentioned technique of molecular dynamics simulation, we are currently investigating a nano-structured surface of a specific absorber. The goal is to obtain a maximum coefficiency of absorption at minimum energy consumption. Scientifically, how a nano-structure is affecting a medium, is still unexplored. We are currently investigating several types of surfaces by simulation. This procedure is more cost-effective and time-saving than to manufacture specimens and assess them experimentally.Know Materials Properties - without ExperimentAre you interested in the compressibility of a novel hydraulic fluid? Do you need the viscosity of a recent lubricant? Do you require to know the thermal conductivity of a coolant to properly dimension your plant?Then our new offer comes in handy. We are able to calculate these - and much more - material properties from the chemical composition. As a plus, extraordinary conditions like high temperature or high pressure are no problem and no danger to us. The same is true for mixtures and novel substances, whose properties are unlikely to be tabulated in literature. Especially non-metallic materials and organic compounds are well suited for our models. To obtain the desired properties, we perform molecular dynamics simulations. From those, we calculate the material bulk properties by statistical mechanics formulas. Sounds complicated? It is indeed. But that is our job. Yours is to look forward to the results. And the best is: this is competitive to a measuring experiment or a literature research, both regarding finances and time. | |||||||||||||
| ||||||||||||||