Investigation on Thermodynatic Performances of Mg2Sn Compound via First Principle Calculations
نویسندگان
چکیده
منابع مشابه
First-principle calculations of ductile CeAg intermetallic compound
The first-principle calculations were performed to investigate the structural, mechanical, electronic and thermal properties of the binary ductile intermetallic compound CeAg with B2 (CsCl) structure. The calculated value of lattice constant a0 for CeAg with generalized gradient approximation is 3.713 Å, which is in better agreement with experimental data than local spin density approximation. ...
متن کاملOvertone Bands of H3f: First Principle Calculations
Since its spectrum was first observed by Oka (I) and Shy et al. (2) in 1980, H: and its isotopomers have excited considerable interest among experimental spectroscopists and theoretical chemists alike. All the infrared-allowed fundamentals of the ions have been characterized (3-8). The microwave spectrum of H2D+ has tentatively been observed in the interstellar gas cloud NGC 2264. At the same t...
متن کاملInvestigation of the Performance of Carbon Nanotube and Silicon Nanowire Junctionless Transistors using First–Principle Calculations
In this work, we present atomic scale simulation of junctionless semiconducting single–walled carbon nanotubes field effect transistors (CNT–FETs) and compare their performance to silicon nanowire (SiNW) transistors with similar dimensions. The energy dispersions relations for p–type SiNW and CNT are compared. The response of the transistors to source–drain bias and gate voltage is explored. Co...
متن کاملFirst- principle calculations of magnetic interactions in correlated systems
We present a novel approach to calculate the effective exchange interaction parameters based on the realistic electronic structure of correlated magnetic crystals in local approach with the frequency dependent self energy. The analog of “local force theorem” in the density functional theory is proven for highly correlated systems. The expressions for effective exchange parameters, Dzialoshinski...
متن کاملinvestigation of effective parameters on the rigidity of light composite diaphragms (psscb) by fem
در این رساله با معرفی سقف های psscb متشکل از ترکیب ورق های فولادی ذوزنقه ای و تخته های سیمانی الیافی به عنوان سقف های پیش ساخته (سازگار با سیستم سازه ای قاب های فولادی سبک) به بررسی پارامترهای موثر بر صلبیت سقف، پرداخته می شود. در تحقیق حاضر ابتدا به مدل سازی دو نمونه سقف آزمایش شده، به روش اجزاء محدود با استفاده از نرم افزار تحلیلی abaqus ver 6.10 پرداخته شده است. نمونه های ساخته شده تحت اعما...
ذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: International Journal of Heat and Technology
سال: 2016
ISSN: 0392-8764
DOI: 10.18280/ijht.340116