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The electronic properties, exchange interactions, Curie temperatures and transport properties of random quaternary Heusler alloys (Ni, Cu)₂MnSn are studied by means of density-functional calculations over the entire range of dopant concentration. Results agree qualitatively as well as quantitatively with the available experimental data. The residual resistivity is found to obey the Nordheim rule, indicating weak-scattering regime. The temperature-dependent spin-disorder resistivity is found to be described well via the disordered model of local moments. Effect of pressure on the Curie temperature and the resistivity is also explored.

We present results of the exchange interactions and Curie temperatures in some Cr-based chalcogenides and pnictides. The calculations are performed mostly for Zinc Blende (ZB) structure with the lattice parameter varying between 5.45 and 6.6 Å, appropriate for some typical II-VI and III-V semiconducting substrates. Electronic structure is calculated via the linear muffintin-orbitals method and disorder effects, when appropriate, are taken into account via the coherent potential approximation. Calculated exchange interactions are used to estimate the Curie temperature by employing the mean-field and the random phase approximations. For CrTe we compare the results of the ZB and Rock-Salt (RS) structures.

Simulation is a well-known technique for using computers to imitate or simulate the operations of various kinds of real-world facilities or processes. The facility or process of interest is usually called a system, and to study it scientifically, we often have to make a set of assumptions about how it works. These assumptions, which usually take the form of mathematical or logical relationships, constitute a model that is used to gain some understanding of how the corresponding system behaves, and the quality of these understandings essentially depends on the credibility of given assumptions or models, known as VV&A (verification, validation and accreditation). The main purpose of this paper is to present an in-depth theoretical review and analysis for the application of VV&A in large-scale simulations.

After summarizing the VV&A of related research studies, the standards, frameworks, techniques, methods and tools have been discussed according to the characteristics of large-scale simulations (such as crowd network simulations).

The contributions of this paper will be useful for both academics and practitioners for formulating VV&A in large-scale simulations (such as crowd network simulations).

This paper will help researchers to provide support of a recommendation for formulating VV&A in large-scale simulations (such as crowd network simulations).