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Complex metal alloys (CMAs) comprise a huge group of largely unknown alloys and compounds, where many phases are formed with crystal structures based on giant unit cells containing atom clusters, ranging from tens of to more than thousand atoms per unit cell. In these phases, for many phenomena, the physical length scales are substantially smaller than the unit-cell dimension. Hence, these materials offer unique combinations of properties which are mutually exclusive in conventional materials, such as metallic electric conductivity combined with low thermal conductivity, good light absorption
Alloys --- Intermetallic compounds --- Physical metallurgy --- Materials science --- Complex intermetallics
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The Special Edition 'Compounds with Polar Metallic Bonding' is a collection of eight original research reports presenting a broad variety of chemical systems, analytical methods, preparative pathways and theoretical descriptions of bonding situations, with the common aim of understanding the complex interplay of conduction electrons in intermetallic compounds that possess different types of dipoles. Coulombic dipoles introduced by electronegativity differences, electric or magnetic dipoles, polarity induced by symmetry reduction—all the possible facets of the term 'polarity'—can be observed in polar intermetallic phases and have their own and, in most cases, unique consequences on the physical and chemical behaviour. Elucidation of the structure–property relationships in compounds with polar metallic bonding is a modern and growing scientific field which combines solid state physics, preparative chemistry, metallurgy, modern analytic methods, crystallography, theoretical calculations of the electronic state and many more disciplines.
bonding analyses --- coloring problem --- n/a --- X-ray diffraction --- magnetism --- band structure --- group-subgroup --- alkaline-earth --- Zintl --- nitridometalate --- structure optimizations --- electronic structure --- polar intermetallics --- polar intermetallic --- intermetallic compounds --- XPS --- Zintl compounds --- stannides --- total energy --- COHP method --- symmetry reduction --- chemical bond --- plumbides --- ternary Laves phases --- powder diffraction --- intermetallics --- magnetic properties --- Ca14AlSb11 --- thermoelectric --- crystal structure --- liquid ammonia
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The term “first-principles calculations” is a synonym for the numerical determination of the electronic structure of atoms, molecules, clusters, or materials from ‘first principles’, i.e., without any approximations to the underlying quantum-mechanical equations. Although numerous approximate approaches have been developed for small molecular systems since the late 1920s, it was not until the advent of the density functional theory (DFT) in the 1960s that accurate “first-principles” calculations could be conducted for crystalline materials. The rapid development of this method over the past two decades allowed it to evolve from an explanatory to a truly predictive tool. Yet, challenges remain: complex chemical compositions, variable external conditions (such as pressure), defects, or properties that rely on collective excitations—all represent computational and/or methodological bottlenecks. This Special Issue comprises a collection of papers that use DFT to tackle some of these challenges and thus highlight what can (and cannot yet) be achieved using first-principles calculations of crystals.
ab initio --- n/a --- magnetic Lennard–Jones --- superconductivity --- global optimisation --- electrical engineering --- first-principles --- semiconductors --- refractory metals --- genetic algorithm --- DFT --- crystal structure prediction --- electronic structure --- indium arsenide --- van der Waals corrections --- charged defects --- Ir-based intermetallics --- point defects --- electronic properties --- learning algorithms --- half-Heusler alloy --- molecular crystals --- chlorine --- optical properties --- ab initio calculations --- magnetic properties --- structure prediction --- thermoelectricity --- high-pressure --- density functional theory --- magnetic materials --- structural fingerprint --- crystal structure --- semihard materials --- silver --- formation energy --- Heusler alloy --- battery materials --- elastic properties --- magnetic Lennard-Jones
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In recent years, the industry has started to use parts printed by powder-based laser additive manufacturing (LAM) when precision and good mechanical properties are required. Applications can be found in the aerospace, automotive, and medical sectors. However, the powder materials available are often inadequate for contemporary processing tasks, and often generate process instabilities as well as porosities and defects in the resulting parts. This Special Issue, “New Frontiers in Materials Design for Laser Additive Manufacturing”, focuses on advances in material design and the development of laser additive manufacturing. Of particular interest are original papers dealing with metal and polymer powders for laser powder bed fusion or directed energy deposition. In this Special Issue, we are especially interested in answering the following questions: How can laser process parameters and material properties be adapted to the LAM process via the matrix modification (e.g., alloying, doping, compounding) of powders? How can powder properties like flowability, wetting, porosity, or (heterogeneous) nucleation be adapted to the LAM process via the surface modification of powders? How may calorimetry, high-speed videography, pyrometry, and online spectroscopy, as well as modeling, contribute to understanding dynamics of melting and recrystallization, in addition to the lateral distribution of the thermal process window?
Technology: general issues --- Chemical engineering --- powder bed fusion --- magnesium --- process development --- additive manufacturing --- PBF-LB/M --- tool steel (1.2709) --- nanocomposite --- microstructure --- mechanical properties --- laser powder bed fusion --- selective laser melting --- oxide dispersion strengthened steel --- phase-field model --- finite element simulation --- nanoparticle interaction --- pure copper --- short wavelength laser system --- green laser --- eddy-current method --- electrical conductivity --- polyamide 12 --- nanocomposites --- nanoparticles --- dispersion --- LB-PBF --- additively manufactured parts --- aluminum alloys --- intermetallics --- thermal exposure --- n/a --- aluminium alloys --- hot cracking --- rapid solidification --- differential fast scanning calorimetry --- undercooling --- grain size --- crack density
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The conversion and storage of renewable energy sources is key to the transition from a fossil-fuel-based economy to a low-carbon society. Many new game-changing materials have already impacted our lives and contributed to a reduction in carbon dioxide emissions, such as high-efficiency photovoltaic cells, blue light-emitting diodes, and cathodes for Li-ion batteries. However, new breakthroughs in materials science and technology are required to boost the clean energy transition. All success stories in materials science are built upon a tailored control of the interconnected processes that take place at the nanoscale, such as charge excitation, charge transport and recombination, ionic diffusion, intercalation, and the interfacial transfer of matter and charge. Nanostructured materials, thanks to their ultra-small building blocks and the high interface-to-volume ratio, offer a rich toolbox to scientists that aspire to improve the energy conversion efficiency or the power and energy density of a material. Furthermore, new phenomena arise in nanoparticles, such as surface plasmon resonance, superparamegntism, and exciton confinement. The ten articles published in this Special Issue showcase the different applications of nanomaterials in the field of energy storage and conversion, including electrodes for Li-ion batteries and beyond, photovoltaic materials, pyroelectric energy harvesting, and (photo)catalytic processes.
nanoparticle --- nanoalloy --- catalyst --- CO2 reduction --- hydrocarbon --- synthetic fuel --- iron --- cobalt --- perovskite solar cell --- hole transport layer --- CuCrO2 nanoparticles --- thermal stability --- light stability --- aluminum ion batteries --- reduced graphene oxide --- tin dioxide --- 3D electrode materials --- mechanical properties --- TiO2 --- azo dye --- wastewater treatment --- photocatalysis --- sodium formate --- dry etching --- black silicon --- photovoltaics --- plasmonics --- heterogeneous catalysis --- nanoparticles --- single molecule localization --- super-resolution microscopy --- surface-enhanced Raman spectroscopy --- Li-ion batteries --- anodes --- intermetallics --- silicon --- composites --- nanomaterials --- coating --- mechanochemistry --- zinc sulfide --- wurtzite --- co-precipitation synthesis --- solvent recycling --- green synthesis --- scaling up --- pilot plant --- chalcopyrite compounds --- nanocrystals --- hydrothermal --- spin coating --- EIS --- conductivity --- lithium-ion batteries --- SnO2 --- nanoarray --- anode --- high-rate --- n/a
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This Special Issue collects ten articles related to the broadly understood physical properties of intermetallic compounds. Differential thermal analysis was carried out, and the temperatures of thermal effects that arise during the reduction of neodymium from a technological salt mixture of KCl–NaCl–CaCl2–NdF3 with a magnesium–zinc alloy were established. For sol–gel products of stoichiometric MgTiO3, accurate thermal expansion coefficients were measured. The effect of various nanoparticles, such as GaF3, ZnF2, Zn(BF4)2 and Ga2O3 additions, on the activity of CsF-RbF-AlF3 flux and mechanical behavior of Al/Steel brazed joints is presented. The effect of Bi substitution on the structural and magnetic properties of Nd1-xBixMnO3 is investigated. Characteristics of hard magnetic materials based on Nd2Fe14B and Ce2Fe14B intermetallic compounds are presented. A special algorithm is presented to support vector regression for estimating the maximum magnetic entropy change of doped manganite-based compounds. We have received information about the mechanical properties of the reactively synthesized porous Ti3SiC2 compound with different apertures. Furthermore, we have presented the experimental results of Zn-doped Al-rich for fast on-board hydrogen production.
Engineering --- Technology --- Ti3SiC2 --- intermetallic compound --- porous material --- mechanical property --- pore size --- elastic modulus --- Al-rich alloy --- hydrogen generation --- Zn addition --- Ga2O3 --- flux --- Zn-Al filler metal --- wettability --- spreadability --- magnetocaloric effect --- support vector regression --- extreme learning machine --- maximum magnetic entropy change --- gravitational search algorithm --- GaF3 --- CsF-AlF3 flux --- R-Fe-B intermetallics --- cerium --- permanent magnets --- simulation --- magnetic anisotropy constant --- hysteresis loop --- coercive force --- residual magnetization --- X-ray diffraction --- perovskites manganites --- AC magnetic susceptibility --- ZnF2 --- Zn(BF4)2 --- mechanical properties --- MgTiO3 --- geikielite --- high-temperature X-ray diffraction --- sol-gel technique --- thermal expansion --- magnesium-zinc-neodymium master alloy --- Mg-Zn-Nd --- magnesium master alloy --- magnesium --- rare-earth metals --- master alloy synthesis --- metallothermic reduction --- History. --- History. --- Ti3SiC2 --- intermetallic compound --- porous material --- mechanical property --- pore size --- elastic modulus --- Al-rich alloy --- hydrogen generation --- Zn addition --- Ga2O3 --- flux --- Zn-Al filler metal --- wettability --- spreadability --- magnetocaloric effect --- support vector regression --- extreme learning machine --- maximum magnetic entropy change --- gravitational search algorithm --- GaF3 --- CsF-AlF3 flux --- R-Fe-B intermetallics --- cerium --- permanent magnets --- simulation --- magnetic anisotropy constant --- hysteresis loop --- coercive force --- residual magnetization --- X-ray diffraction --- perovskites manganites --- AC magnetic susceptibility --- ZnF2 --- Zn(BF4)2 --- mechanical properties --- MgTiO3 --- geikielite --- high-temperature X-ray diffraction --- sol-gel technique --- thermal expansion --- magnesium-zinc-neodymium master alloy --- Mg-Zn-Nd --- magnesium master alloy --- magnesium --- rare-earth metals --- master alloy synthesis --- metallothermic reduction
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This reprint presents the current state of knowledge and the latest advances in the development of microstructure and material properties using modern FSP (Friction Stir Processing) and related technologies such as FSW (Friction Stir Welding). The chapters of this reprint contain valuable results of research on changes in the microstructure and properties of materials caused by the use of the above technologies. Detailed analysis of these results allowed for the formulation of constructive conclusions of scientific and technological importance. The issues described in here present a significant cognitive and application potential and indicate the problems and implementation challenges faced by users of FSP and related technologies.
Technology: general issues --- stir casting --- boron carbide --- silicon carbide --- AA6061 aluminium alloy --- tensile strength --- friction stir welding --- bobbin tool --- AA1050-H14 --- pin geometry --- travel speed --- welding temperature --- mechanical properties --- groove joint design --- gas tungsten arc welding --- 2205 DSS --- friction stir lap welding --- definitive screening design (DSD) --- tensile shear load --- tool penetration depth --- plunge depth --- friction stir deposition --- solid-state additive manufacturing --- AA2011-T6 and AA2011-O --- AA2011 aluminum alloy --- microstructure --- intermetallics --- hardness --- Friction stir spot welding --- low-carbon steel --- brass --- load-carrying capacity --- dissimilar friction stir welding --- tool penetration depth (TPD) --- intermetallic compound (IMC) thickness --- process parameter --- friction stir processing --- 7075 aluminum alloy --- air cooling --- jet cooling nozzle --- microstructure evolution --- tribological properties --- aluminum alloys --- AA6082 --- friction stir spot welding --- stir casting --- boron carbide --- silicon carbide --- AA6061 aluminium alloy --- tensile strength --- friction stir welding --- bobbin tool --- AA1050-H14 --- pin geometry --- travel speed --- welding temperature --- mechanical properties --- groove joint design --- gas tungsten arc welding --- 2205 DSS --- friction stir lap welding --- definitive screening design (DSD) --- tensile shear load --- tool penetration depth --- plunge depth --- friction stir deposition --- solid-state additive manufacturing --- AA2011-T6 and AA2011-O --- AA2011 aluminum alloy --- microstructure --- intermetallics --- hardness --- Friction stir spot welding --- low-carbon steel --- brass --- load-carrying capacity --- dissimilar friction stir welding --- tool penetration depth (TPD) --- intermetallic compound (IMC) thickness --- process parameter --- friction stir processing --- 7075 aluminum alloy --- air cooling --- jet cooling nozzle --- microstructure evolution --- tribological properties --- aluminum alloys --- AA6082 --- friction stir spot welding
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The conversion and storage of renewable energy sources is key to the transition from a fossil-fuel-based economy to a low-carbon society. Many new game-changing materials have already impacted our lives and contributed to a reduction in carbon dioxide emissions, such as high-efficiency photovoltaic cells, blue light-emitting diodes, and cathodes for Li-ion batteries. However, new breakthroughs in materials science and technology are required to boost the clean energy transition. All success stories in materials science are built upon a tailored control of the interconnected processes that take place at the nanoscale, such as charge excitation, charge transport and recombination, ionic diffusion, intercalation, and the interfacial transfer of matter and charge. Nanostructured materials, thanks to their ultra-small building blocks and the high interface-to-volume ratio, offer a rich toolbox to scientists that aspire to improve the energy conversion efficiency or the power and energy density of a material. Furthermore, new phenomena arise in nanoparticles, such as surface plasmon resonance, superparamegntism, and exciton confinement. The ten articles published in this Special Issue showcase the different applications of nanomaterials in the field of energy storage and conversion, including electrodes for Li-ion batteries and beyond, photovoltaic materials, pyroelectric energy harvesting, and (photo)catalytic processes.
Research & information: general --- Physics --- nanoparticle --- nanoalloy --- catalyst --- CO2 reduction --- hydrocarbon --- synthetic fuel --- iron --- cobalt --- perovskite solar cell --- hole transport layer --- CuCrO2 nanoparticles --- thermal stability --- light stability --- aluminum ion batteries --- reduced graphene oxide --- tin dioxide --- 3D electrode materials --- mechanical properties --- TiO2 --- azo dye --- wastewater treatment --- photocatalysis --- sodium formate --- dry etching --- black silicon --- photovoltaics --- plasmonics --- heterogeneous catalysis --- nanoparticles --- single molecule localization --- super-resolution microscopy --- surface-enhanced Raman spectroscopy --- Li-ion batteries --- anodes --- intermetallics --- silicon --- composites --- nanomaterials --- coating --- mechanochemistry --- zinc sulfide --- wurtzite --- co-precipitation synthesis --- solvent recycling --- green synthesis --- scaling up --- pilot plant --- chalcopyrite compounds --- nanocrystals --- hydrothermal --- spin coating --- EIS --- conductivity --- lithium-ion batteries --- SnO2 --- nanoarray --- anode --- high-rate --- nanoparticle --- nanoalloy --- catalyst --- CO2 reduction --- hydrocarbon --- synthetic fuel --- iron --- cobalt --- perovskite solar cell --- hole transport layer --- CuCrO2 nanoparticles --- thermal stability --- light stability --- aluminum ion batteries --- reduced graphene oxide --- tin dioxide --- 3D electrode materials --- mechanical properties --- TiO2 --- azo dye --- wastewater treatment --- photocatalysis --- sodium formate --- dry etching --- black silicon --- photovoltaics --- plasmonics --- heterogeneous catalysis --- nanoparticles --- single molecule localization --- super-resolution microscopy --- surface-enhanced Raman spectroscopy --- Li-ion batteries --- anodes --- intermetallics --- silicon --- composites --- nanomaterials --- coating --- mechanochemistry --- zinc sulfide --- wurtzite --- co-precipitation synthesis --- solvent recycling --- green synthesis --- scaling up --- pilot plant --- chalcopyrite compounds --- nanocrystals --- hydrothermal --- spin coating --- EIS --- conductivity --- lithium-ion batteries --- SnO2 --- nanoarray --- anode --- high-rate
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There is growing interest in light metallic alloys for a wide number of applications owing to their processing efficiency, processability, long service life, and environmental sustainability. Aluminum, magnesium, and titanium alloys are addressed in this Special Issue, however, the predominant role played by aluminum. The collection of papers published here covers a wide range of topics that generally characterize the performance of the alloys after manufacturing by conventional and innovative processing routes.
fatigue properties --- hydroforming --- AlSi12Cu1(Fe) --- magnesium alloy --- microstructure --- Ti6Al4V titanium alloy --- FEM simulation --- aging treatment --- AlSi11Cu2(Fe) --- titanium aluminides --- commercially pure titanium --- hot working --- quenching process --- hot rolling --- 7003 alloy --- compressive strength --- plastic strain --- precipitation --- constitutive equations --- processing temperature --- material property --- hot forging --- wear resistance --- hot deformation behavior --- solid solution hardening --- microstructural changes --- fatigue behavior --- hardening criteria --- AlSi10Mg alloy --- 7XXX Al alloy --- hot compression --- creep --- Al-5Mg wire electrode --- ultra-fine grain --- mechanical properties --- cooling rate --- residual stress --- thermomechanical treatment --- remanufacturing --- hot workability --- activation energy --- mechanical alloying --- selective laser melting --- alloy --- Al alloy --- dynamic recrystallization --- springback --- wire feedability --- cold rolling --- spray deposited --- rotary-die equal-channel angular pressing --- adhesion strength --- microarc oxidation --- aluminum alloy --- Zr --- processing map --- Al–Si alloy --- UNS A92024-T3 --- Al-Si-Cu alloys --- sludge --- high pressure die casting --- fractography --- 2024-T4 aluminum alloys --- anode pulse-width --- consolidation --- high temperature --- AlSi9Cu3(Fe) --- FEP --- resistance spot welding --- intermetallics --- tensile properties --- tensile property --- iron
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Stainless steels represent a quite interesting material family, both from a scientific and commercial point of view, following to their excellent combination in terms of strength and ductility together with corrosion resistance. Thanks to such properties, stainless steels have been indispensable for the technological progress during the last century and their annual consumption increased faster than other materials. They find application in all these fields requiring good corrosion resistance together with ability to be worked into complex geometries. Despite to their diffusion as a consolidated materials, many research fields are active regarding the possibility to increase stainless steels mechanical properties and corrosion resistance by grain refinement or by alloying by interstitial elements. At the same time innovations are coming from the manufacturing process of such a family of materials, also including the possibility to manufacture them starting from metals powder for 3D printing. The Special Issue scope embraces interdisciplinary work covering physical metallurgy and processes, reporting about experimental and theoretical progress concerning microstructural evolution during processing, microstructure-properties relations, applications including automotive, energy and structural.
reversion --- iron alloys --- reverted austenite --- n/a --- corrosion --- microstructure --- scatter index --- stainless steel --- electron backscattered diffraction --- supermartensitic stainless steel --- metastable austenitic stainless steel --- additive manufacturing --- fatigue --- mechanical spectroscopy --- stainless steel alloys --- 304L stainless steel --- non-metallic inclusions --- deformation --- connection --- nitriding --- non-metallic inclusion --- welding --- phase diagrams --- S–N curves --- surface treatments --- mechanical properties --- fatigue strength --- stainless-steel structure --- Hertz theory --- phase transformation --- prestrain --- high-speed steel --- Cr martensitic steel --- repair --- superduplex stainless steels --- historic timber structures --- cold rolling --- VOD refining --- borides --- annealing --- welded joints --- hot deformation --- Ca treatment --- reinforcement --- electrolytic extraction --- laser powder bed fusion --- point defects --- innovation --- high-boron steel --- duplex stainless steel --- secondary phases --- formation mechanism --- kinetics model --- duplex stainless steels --- simulations --- electric current --- intermetallics --- medical applications --- electrically assisted annealing --- grain size --- stainless steels --- structural dynamics --- finite element explicit analysis --- S-N curves
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