Theoretical Properties of Ni<sub>2</sub>Ti alloys Studied :by Gaussian 09 Program
Dukra Kamal Taha, Israa Hadi Hilal, Rashid Hashim Jabbar
Abstract
Abstract The results obtained from theoretical calculations using the Gaussian 09 program using density functional (DFT) theory through calculated each of structural, electronic, thermal, and mechanical properties such as Poisson’s ratio, Young’s modulus, and shear modulus from the elastic constants calculated for Ni 2 Ti. Also, that prepared these alloys and tested on people of both sexes to learn how important it is to improve orthodontic treatments and found that the results obtained in experimental and theoretical compatible to some extent.
Topics & Concepts
Density functional theoryShear modulusGaussianMaterials scienceModulusPoisson distributionPoisson's ratioBulk modulusThermodynamicsYoung's modulusElastic modulusComputational chemistryCondensed matter physicsComposite materialChemistryMathematicsPhysicsStatisticsShape Memory Alloy TransformationsTitanium Alloys Microstructure and PropertiesAdvanced Thermoelectric Materials and Devices