Calculations of charge transfer in Mg-and Al-transition metal alloys using the Auger parameter

Diplas, Spyridon; Shao, Guosheng; Tsakiropoulos, P.; Watts, John F.; Matthew, J.A.D.

doi:10.1002/(sici)1096-9918(200001)29:1<65::aid-sia694>3.0.co;2-1

Cited by 18 publications

(4 citation statements)

References 16 publications

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“…Similarly with the design of steels, light metal alloys (Al, Mg, Ti-based) or superalloys, NICE uses the results of first-principles calculations for phase equilibria data and phase diagrams and the results of experimental studies of alloying behaviour of transition metal (TM) and simple metal alloys, e.g., [22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37]. Within the framework of NICE are developed thermodynamic descriptions in new "composition spaces" to guide alloy developers to design alloys for high-temperature applications, e.g., [38][39][40].…”

Section: Design Of Metallic Uhtmsmentioning

confidence: 99%

“…It means "work together". Type of bonding transfer of charge that nowadays are studied with first-principles electronic structure methods or experimentally, e.g., [29][30][31][32][33][34][35][36][37][50][51][52], are examples of how elements work together, i.e., are in synergy. Superalloys and steels are different groups of alloys (poleis/cities) whose differences (different cultures, see Appendix A) are exposed by their properties (distinguishing characteristics, distinctive attributes) that their elements (persons/πρóσωπα/citizens) and phases (associations, friendships, families) bring about/give rise/produce.…”

Section: Synergymentioning

confidence: 99%

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A Perspective of the Design and Development of Metallic Ultra-High Temperature Materials: Refractory Metal Intermetallic Composites, Refractory Complex Concentrated Alloys and Refractory High Entropy Alloys

Tsakiropoulos

2023

Alloys

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The paper is a personal perspective on the design of metallic ultra-high temperature materials (UHTMs). Specifically, the alloy design “landscape” of metallic UHTMs was considered from the viewpoint of the alloy design methodology NICE. The concepts of synergy, entanglement and self-regulation and their significance for alloy design/development were discussed. The risks, ecological challenges and material-environment interactions associated with the development of metallic UHTMs were highlighted. The “landscape” showed that beneath the complexities of alloy design lies an elegant and powerful unity of specific parameters that link logically and that progress can be made by recognising those interrelationships between parameters that generate interesting, diverse, and complex alloys.

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Section: Design Of Metallic Uhtmsmentioning

confidence: 99%

Section: Synergymentioning

confidence: 99%

A Perspective of the Design and Development of Metallic Ultra-High Temperature Materials: Refractory Metal Intermetallic Composites, Refractory Complex Concentrated Alloys and Refractory High Entropy Alloys

Tsakiropoulos

2023

Alloys

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“…The access to deeper core levels in a series of metals lead Tsakiropoulos and Watts to apply the CrKβ source to a series of aluminium‐based metal physics investigations relating to the study of charge transfer on alloy formation using the newly available core levels; Al1s, 39 V1s, 39,40 Si1s, 41,42 Mo2p3/2 41 Nb2p3/2, 43 Ti1s, 44,45 and their attendant Auger transitions. The work made extensive use of both the final and initial state Auger parameters (AP and ξ above, respectively).…”

Section: Monochromatic Sources For Higher Energy Xpsmentioning

confidence: 99%

The development of laboratory‐based high energy sources for XPS

Watts,

Castle

2024

Surface & Interface Analysis

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Over the last fifty years, a number of higher energy X‐ray sources have been suggested as alternatives for the usual AlKα source found in the first commercial XPS systems and still the standard anode material for XPS today. This paper reviews the development of a number of such sources, predominantly in the authors' laboratory, and the rationale behind the desire to extend the binding energy range of the technique. The achromatic sources SiKα, ZrLα and TiKα are described along with monochromatic sources AgLα and CrKβ, both based on the standard quartz monochromator geometry but taking higher orders of diffraction. The driving force for much of this development was the desire to probe deeper core levels and CCC Auger transitions. These could be combined into initial or final state Auger parameters as described in much of the work cited in this review. The highest energy source considered is the CuKα source based around an external X‐ray tube, which provides much insight into the electronic structure of steels by measurement of the Fe1s and FeKLL peaks. The last decade or so has seen a significant increase of interest in HAXPES, and all manufacturers of turn‐key XPS instruments offer HAXPES options of one form or another, there are three dedicated HAXPES systems commercially available, which are very briefly described.

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“…After the further addition of sodium carbonate, compared with Figure 13b, the binding energies of Zn 2p 3/2 and Zn 2p 1/2 were shifted by 0.04 eV and 0.05 eV, respectively. It indicated that the introduction of carbonate increased the active sites on the surface of smithsonite, which was beneficial to the adsorption of dodecylamine on the smithsonite surface [36,37].…”

Section: Xps Measurementsmentioning

confidence: 99%

Influence of Sodium Carbonate on the Flotation Separation of Smithsonite and Calcite by Sulfuration-Amine Method

Piao

Pang

et al. 2023

Minerals

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Sulfuration-amine flotation is the most commonly used method to separate zinc oxide ore, but its shortcomings such as unstable separation index and poor applicability to high mud-content raw ore limit its application in industry. In this study, the influence mechanism of sodium carbonate on the flotation separation of smithsonite and calcite by the sulfuration-amine method was investigated by chemical analysis of the flotation solution, contact angle measurement, Zeta potential test, and XPS analysis. The results showed that sodium carbonate significantly improved the flotation separation performance of smithsonite and calcite. The chemical analysis of the flotation solution showed that sodium carbonate hindered the dissolution of smithsonite, reducing its negative impact on the flotation of smithsonite. The results of the zeta potential and XPS tests showed that sodium carbonate enhanced the electronegativity of the smithsonite surface, and in an alkaline environment, sodium carbonate was favorable for the adsorption of dodecylamine on the surface of smithsonite, while sodium carbonate and high alkalinity enhanced the inhibitory effect of sodium hexametaphosphate on calcite. The study proved that sodium carbonate could be an effective modifier to promote the flotation separation of smithsonite and calcite using the aulfuration-amine method.

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Calculations of charge transfer in Mg-and Al-transition metal alloys using the Auger parameter

Cited by 18 publications

References 16 publications

A Perspective of the Design and Development of Metallic Ultra-High Temperature Materials: Refractory Metal Intermetallic Composites, Refractory Complex Concentrated Alloys and Refractory High Entropy Alloys

A Perspective of the Design and Development of Metallic Ultra-High Temperature Materials: Refractory Metal Intermetallic Composites, Refractory Complex Concentrated Alloys and Refractory High Entropy Alloys

The development of laboratory‐based high energy sources for XPS

Influence of Sodium Carbonate on the Flotation Separation of Smithsonite and Calcite by Sulfuration-Amine Method

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