Systematic study of stacking fault energies of random Al-based alloys

Schulthess, T. C.; Turchi, P. E. A.; Gonis, A.; Nieh, T.G.

doi:10.1016/s1359-6454(97)00432-1

Cited by 124 publications

(52 citation statements)

References 21 publications

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“…The prediction of material stability and mechanical properties is critical for rational design of heterointerfaces. Stacking energy [29][30][31] is a critical parameter in the assessment of mechanical and structural properties of materials. The generalized stacking energy (GSE) of SrO-and TiO 2 -terminated interfaces has been calculated for the g-surface projection 32 along o1004 and o1104 to assess the influence of the different chemical interactions in the different regions of the interface (Fig.…”

Section: Resultsmentioning

confidence: 99%

Termination chemistry-driven dislocation structure at SrTiO3/MgO heterointerfaces

et al. 2014

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Exploiting the promise of nanocomposite oxides necessitates a detailed understanding of the dislocation structure at the interfaces, which governs diverse and technologically relevant properties. Here we report atomistic simulations demonstrating a strong dependence of the dislocation structure on the termination chemistry at the SrTiO 3 /MgO heterointerface. The SrO-and TiO 2 -terminated interfaces exhibit distinct nearest neighbour arrangements between cations and anions, leading to variations in local electrostatic interactions across the interface that ultimately dictate the dislocation structure. Networks of dislocations with different Burgers vectors and dislocation spacing characterize the two interfaces. These networks in turn influence the overall stability of and the behaviour of oxygen vacancies at the heterointerface, which will dictate vital properties such as mass transport at the interface. To date, the observed correlation between the dislocation structure and the termination chemistry at the interface has not been recognized, and offers novel avenues for fine-tuning oxide nanocomposites with enhanced functionalities.

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Section: Resultsmentioning

confidence: 99%

Termination chemistry-driven dislocation structure at SrTiO3/MgO heterointerfaces

et al. 2014

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“…Promisingly, Mg has been reported to be a potential alloying element to reduce  ISFE in Al [8]. By using the Layer Korringa Kohn Rostoker methodology, Schulthess et al [9] calculated the  ISFE of disordered Al-Mg alloys and showed a nearly linear decrease of  ISFE with increasing Mg content (below 40 at.% Mg). Though different in quantity, the  ISFE values of different Al-Mg alloys, determined by different experimental methods also showed that  ISFE decreases significantly with increasing Mg content in the alloys, e.g.…”

Section: Introductionmentioning

confidence: 99%

Impurity effect of Mg on the generalized planar fault energy of Al

et al. 2016

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Generalized Planar Fault Energy (GPFE) curves are widely used to evaluate the deformation behavior of metals and alloys. In the present work, a systematic analysis of the microscopic plastic deformation mechanism of face-centered cubic Al in comparison to Cu was conducted based on GPFE curves generated via first-principles calculations. Focus has been put on the effects of Mg impurities in terms of local concentration and local atomic arrangement nearby the deformation plane, upon the GPFE curve of Al, with the aim to investigate the twinnability of Al-Mg alloys subjected to plastic deformation.It is found that Mg exhibites a Suzuki segregation feature to the stacking fault of Al, either intrinsic or extrinsic. Mg atoms residing in the stacking fault plane can decrease the intrinsic stacking fault energy  ISFE and enhance the twinning propensity of Al. However, the  ISFE value does not decrease monotonically with increasing Mg concentration in the alloy, and a continuous twinnability increase with increasing Mg content is not observed. It is also seen that different local concentrations and atomic configurations of Mg atoms in the vicinity of deformation plane could yield a large variation of  ISFE and the twinning propensity of Al. It is proposed that Mg alloying cannot substantially enhance the twinning propensity of Al alloys.

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“…При добавлении таких металлов как цинк и магний, происходит торможение процессовполигонизации, что позволяет проявляться в некоторой мере деформационному упрочнению даже при высоких температурах, в том числе во время сверхпластической деформации. Природу данного явления можно объяснить либо снижением энергии дефекта упаковки [9,10], либо образованием атмосфер атомов легирующих элементов на дислокациях, которые тормозят их неконсервативное движение. Таким образом, сильнолегированный твѐрдый раствор позволяет получить более мелкое зерно, а благодаря наличию в сплаве дисперсных частиц Al3Zr, замедляется перестройка дислокационной структуры и осуществляется сдерживание миграции границ зѐрен во время сверхпластической деформации, сдерживается рекристаллизация во время нагрева до температуры СПД.…”

Section: рисунок 4 -зависимость относительного удлинения листов сплавunclassified

Сверхпластичность сплавов системы Al-Zn-Mg-Cu-Ni-Zr с разным содержанием Znи Mg

Котов¹,

Михайловская²,

Ситкина³

et al. 2017

Тенденции Развития Науки И Образования.

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Тенденции развития науки и образования -49 -Проведѐнные вычислительные эксперименты показывают практическую пригодность предложенной методики для определения мощностей трения в реальных узлах трения с системой подшипников на одном валу.

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Systematic study of stacking fault energies of random Al-based alloys

Cited by 124 publications

References 21 publications

Termination chemistry-driven dislocation structure at SrTiO3/MgO heterointerfaces

Termination chemistry-driven dislocation structure at SrTiO3/MgO heterointerfaces

Impurity effect of Mg on the generalized planar fault energy of Al

Сверхпластичность сплавов системы Al-Zn-Mg-Cu-Ni-Zr с разным содержанием Znи Mg

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