2014
DOI: 10.4028/www.scientific.net/msf.805.690
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Study of Elastic Properies of Ti<sub>3</sub>Al Intermetallic Compound Using the <i>Ab Initio</i> Calculation

Abstract: The elastic properties of a Ti3Al intermetallic compound were studied using full potential (FP LAPW ) with the APW+lo method. The FP-LAPW is among the most accurate band structure calculations currently available and is based on the density functional theory with general gradient approximation for the exchange and correlation potential. This method provides the structural properties of the ground state as bulk modulus, equilibrium lattice parameter, and equilibrium minimum energy, and the elastic properties as… Show more

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(1 citation statement)
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“…Elastic modulus of intermetallic layer is close to that of interfacial region with the range of 130145 GPa, similar to that of bulk Ti 3 Al. 18) While, elastic modulus of Ti layer is 102119 GPa, lower than that of bulk Ti (138 GPa). 19) For different locations away from the interface, the elastic modulus fluctuates within a narrow range for both intermetallic and Ti layers due to the component change as a result of diffusion of Al.…”
Section: Mechanical Propertiesmentioning
confidence: 99%
“…Elastic modulus of intermetallic layer is close to that of interfacial region with the range of 130145 GPa, similar to that of bulk Ti 3 Al. 18) While, elastic modulus of Ti layer is 102119 GPa, lower than that of bulk Ti (138 GPa). 19) For different locations away from the interface, the elastic modulus fluctuates within a narrow range for both intermetallic and Ti layers due to the component change as a result of diffusion of Al.…”
Section: Mechanical Propertiesmentioning
confidence: 99%