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Atomistix Virtual NanoLab v2008 02 英文正式版(奈米元件電性仿真軟體)

破解說明:
破解檔放置於crack夾內,請將破解檔複製於主程式的安裝目錄內既可破解
內容說明:
Atomistix Virtual Nanolab 奈米元件電性仿真軟體可用來開展原子尺度上的數值
計算模擬，以「虛擬」實驗方式，進行研究奈米結構。此軟體是基於凝態物理、量
子化學和電子傳輸理論等領域十多年的研究成果而研製的，可以計算任意奈米結構
中原子或分子的位置及電子軌域。

特點:
- 針對開放系統在有限偏壓狀態下之自我一致性的 DFT 計算
- 電子傳輸係數以及傳輸固有通道
- 平行於輸送方向的週期性邊界條件
- 針對 NEGF 計算的新高效率計算結構
- 計算電子流與不平衡力
- 散射狀態與分子軌道的 3D 影像
- LDA 與 GGA 交換-相關泛函數
- 原子位置的鬆弛現象
- 虛位能與基準組態數據庫
- 分子動力學模擬
英文說明:
Virtual NanoLab (VNL) combines powerful atomic-scale modeling and
NanoLanguage scripting in a user-friendly graphical
interface.

- Build complex atomic structures with a few mouse clicks
- Generate NanoLanguage scripts
- Visualize atomic geometries and calculated physical quantities in 3D

Atomic-scale modeling is indispensable when it comes to simulating
experiments and analyzing atomic-scale properties of nanoscale devices.
The functionality of a nanoscale device is largely determined by the
positions of individual atoms. It might change drastically if some atoms
are replaced, added, or removed. Atomic-scale modeling makes you
understand why your device works. Or why it doesn?t work!

Virtual NanoLab is based on Atomistix ToolKit (ATK) and gives access to
state-of-the-art modeling techniques, including non-equilibrium Green?s
function and density-functional-theory (DFT) methods. With automatic
script generation these techniques are simple and intuitive to use
whether or not you are an expert in quantum chemistry and
electronic-structure calculations.

Compared with physical experiments, nanoscale modeling is cheap and
efficient. Using modeling prior to, or in combination with, practical
laboratory work accelerates the development by limiting the
time-consuming trial-and-error experimentation. Possible problems can be
detected and solved before the device is even fabricated.

Virtual NanoLab 2.0 - Visual NanoLanguage

With version 2.0, released in October 2007, Virtual NanoLab appears in
new shape. The new Virtual NanoLab takes advantage of NanoLanguage, the
scripting environment introduced already in Atomistix ToolKit 2.1 and is
a visual NanoLanguage script generator.

A set of interactive tools allows you to set up atomic geometries and
generate complete NanoLanguage scripts without learning a single word of
the NanoLanguage syntax. Use the tools to

- Set up atomic configurations (of two-probe systems, molecules, bulk
crystals and nanotubes)
- Specify a calculation method or restore an already completed
calculation
- Select the physical quantities to be calculated
- Generate complete NanoLanguage scripts
- Visualize and analyze your results

Virtual NanoLab takes care of the details of NanoLanguage and the
numerical calculations, enabling you to focus on the physical properties
of your system.

Visualize your results with the Nanoscope. Three-dimensional plots of
calculated physical quantities superimposed on the atomic geometry makes
you understand how the intrinsic atomic-scale properties influence the
behavior of your device. Pan, zoom, and rotate the camera to view the
system from any angle.
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