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High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
Ion sources are fundamental to ion milling. Their design and operation are crucial to producing accurate results. The most commonly used ion source relies on radiofrequency (RF) ion sources and direct current (DC) electric fields to generate and accelerate ions from a gas, typically a noble gas like argon or xenon.
Software by NIST for compression of structure with mass spectra. The program seeks to find mechanisms and their rates for all fragmentation types (EI, Tandem positive and negative mode) and correlates mass spectral peaks to a probable origin structure. It contains an isotope calculator and other features and on-line help.
As the input parameters, it needs the ion type and energy (in the range 10 eV – 2 GeV) and the material of one or several target layers. As the output, it lists or plots the three-dimensional distribution of the ions in the solid and its parameters, such as penetration depth, its spread along the ion beam (called straggle) and perpendicular to it, all target atom cascades in the target are ...
The net result is high-grade, or “surgical” mining in which the quarry is designed to maximize profitability rather than simply mining the entire lease and relying on the sorting/milling process to separate the ore and the non-ore. A healthy level of skepticism must be employed when using computer software to compute resource volumetrics.
Deneb [6] – graphical user interface (GUI) for SIESTA, VASP, QE, etc., DFT calculation packages; Enalos Cloud Platform – a cloud platform containing tools for the digital construction of energy minimized nanotubes and ellipsoidal nanoparticles and the calculation of their atomistic descriptors.
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Most widespread instruments are using liquid metal ion sources (LMIS), especially gallium ion sources. Ion sources based on elemental gold and iridium are also available. In a gallium LMIS, gallium metal is placed in contact with a tungsten needle, and heated gallium wets the tungsten and flows to the tip of the needle, where the opposing forces of surface tension and electric field form the ...