High-entropy materials for electrocatalytic applications: a review of first principles modeling and simulations

First Principles Modeling for Research and Design of New Materials

First principles computation can be used to investigate an design materials in ways that can not be achieved with experimental means. We show how computations can be used to rapidly capture the essential physics that determines the useful properties in different applications. Some applications for predicting crystal structure, thermodynamic and kinetic properties, and phase stability are discus...

A comprehensive review on modeling of nanocomposite materials and structures

This work presents a historical review of the researches procured by various scientists and engineers dealing with the nanocomposite materials and continuous systems manufactured from such materials. Nanocomposites are advanced type of well-known composite materials which have been reinforced with nanosize reinforcing fibers and/or particles. Such materials can be better suit for the industrial...

Enabling Materials Discoveries with Predictive First Principles Simulations

A Review of Recent Studies on Simulations for Flow around High-Speed Trains

Fluid flow around bluff bodies occurs in numerous fields of science and engineering, such as flows pass vehicles, cables, towers and bridges. These flows have been studied experimentally and numerically for the last several decades. The investigation of flow around high-speed trains is an important application of bluff bodies. Fluid flow, aerodynamic forces and moments, separation and wake regi...

developing a pattern based on speech acts and language functions for developing materials for the course “ the study of islamic texts translation”

هدف پژوهش حاضر ارائه ی الگویی بر اساس کنش گفتار و کارکرد زبان برای تدوین مطالب درس "بررسی آثار ترجمه شده ی اسلامی" می باشد. در الگوی جدید، جهت تدوین مطالب بهتر و جذاب تر، بر خلاف کتاب-های موجود، از مدل های سطوح گفتارِ آستین (1962)، گروه بندی عملکردهای گفتارِ سرل (1976) و کارکرد زبانیِ هالیدی (1978) بهره جسته شده است. برای این منظور، 57 آیه ی شریفه، به صورت تصادفی از بخش-های مختلف قرآن انتخاب گردید...