Effect of Zr, Hf, and Sn additives on elastic properties of α2-Ti3Al phase by first-principles calculations

Zhang, Chaoyan; Hou, Hua; Zhao, Yuhong; Yang, Xiaomin; Han, Peide

doi:10.1007/s11595-017-1694-7

Cited by 9 publications

(2 citation statements)

References 15 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The first-principle calculation method can simulate materials at the atomic scale and has been widely used to study the properties of materials [11,12]. By using first-principle calculations, Li et al, investigated the heterogeneous nucleation interface of Al/Al 3 Ti [13] and Wang et al, examined the interfacial properties of the Mg (0002)/Al 2 MgC 2 (0001) interface [14].…”

Section: Introductionmentioning

confidence: 99%

The Interfacial Characteristics of Graphene/Al4C3 in Graphene/AlSi10Mg Composites Prepared by Selective Laser Melting: First Principles and Experimental Results

Zhao

Bai

et al. 2020

Materials

View full text Add to dashboard Cite

The Al4C3 phase was precipitated via a reaction of graphene (Gr) with Al during selective laser melting (SLM). The interfacial nature of the Gr (0001)/Al4C3 (0001) interface was determined using the first-principle calculation. The simulation results showed that the influence of the stacking site on the interfacial structure was limited and the Al-termination interface presented a more stable structure than the C-termination interface. The Al-termination-CH site interface had the largest work of adhesion (6.28 J/m2) and the smallest interfacial distance (2.02 Å) among the four interfacial structures. Mulliken bond population analysis showed that the bonding of the Al-termination interface was a mixture of covalent and ionic bonds and there was no chemical bonding in the C-termination interface.

show abstract

Section: Introductionmentioning

confidence: 99%

The Interfacial Characteristics of Graphene/Al4C3 in Graphene/AlSi10Mg Composites Prepared by Selective Laser Melting: First Principles and Experimental Results

Zhao

Bai

et al. 2020

Materials

View full text Add to dashboard Cite

show abstract

“…Song [8] proposed that Zr improves yield strength in TiAl alloy. The effect of Zr on α-Ti 3 Al alloy has been studied by Zhang [26]. They claim that Zr increases inflexibility and hardness of α-Ti 3 Al alloy.…”

mentioning

confidence: 99%

An ab initio study on phase stability, elastic and mechanical properties of Zr-doped TiAl₂ and α-TiAl₃ intermetallics

Mermer

Çinici²,

Uğur³

et al. 2022

EPL

View full text Add to dashboard Cite

In this study, phase stability, elastic and mechanical properties of Zr doped TiAl2 and α-TiAl3 intermetallics have been studied by ab-initio calculations based on density functional theory. Virtual crystal approximation (VCA) method has been utilized to develop crystal structures. Calculated lattice constants and elastic properties of the unalloyed TiAl2 and α-TiAl3 intermetallics were given and discussed. In addition, machinability index has been accounted. Formation enthalpies, Gibbs free energies of Zr doped compounds are lower than pure TiAl2 and α-TiAl3 intermetallics. Bulk Moduli values have been improved by Zr doping for both alloys. Ductile alloys have been obtained when Zr addition of TiAl2 and α-TiAl3 greater than 6.0 wt. %.

show abstract

Effects of different phases, compositional change, and doping on ductility improvement of NbAl3 phases

Jiang

Jiao

Zeng

et al. 2019

Journal of Alloys and Compounds

View full text Add to dashboard Cite

Effect of Zr, Hf, and Sn additives on elastic properties of α2-Ti3Al phase by first-principles calculations

Cited by 9 publications

References 15 publications

The Interfacial Characteristics of Graphene/Al4C3 in Graphene/AlSi10Mg Composites Prepared by Selective Laser Melting: First Principles and Experimental Results

The Interfacial Characteristics of Graphene/Al4C3 in Graphene/AlSi10Mg Composites Prepared by Selective Laser Melting: First Principles and Experimental Results

An ab initio study on phase stability, elastic and mechanical properties of Zr-doped TiAl₂ and α-TiAl₃ intermetallics

Effects of different phases, compositional change, and doping on ductility improvement of NbAl3 phases

Contact Info

Product

Resources

About

Effect of Zr, Hf, and Sn additives on elastic properties of α2-Ti3Al phase by first-principles calculations

Cited by 9 publications

References 15 publications

The Interfacial Characteristics of Graphene/Al4C3 in Graphene/AlSi10Mg Composites Prepared by Selective Laser Melting: First Principles and Experimental Results

The Interfacial Characteristics of Graphene/Al4C3 in Graphene/AlSi10Mg Composites Prepared by Selective Laser Melting: First Principles and Experimental Results

An ab initio study on phase stability, elastic and mechanical properties of Zr-doped TiAl2 and α-TiAl3 intermetallics

Effects of different phases, compositional change, and doping on ductility improvement of NbAl3 phases

Contact Info

Product

Resources

About

An ab initio study on phase stability, elastic and mechanical properties of Zr-doped TiAl₂ and α-TiAl₃ intermetallics