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At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Core–shell interaction and its impact on the optical absorption of pure and doped core-shell CdSe/ZnSe nanoclusters

The structural, electronic, and optical properties of core-shell nanoclusters, (CdSe){sub x}@(CdSe){sub y} and their Zn-substituted complexes of x = 2–4 and y = 16–28, were studied with density functional theory calculations. The substitution was applied in the cores, the shells, and/or the whole clusters. All these clusters are characterized by their core-shell structures in which the core-shell interaction was found different from those in core or in shell, as reflected by their bondlengths, volumes, and binding energies. Moreover, the core and shell combine together to compose a new cluster with electronic and optical properties different from those of separated individuals, as reflected by their HOMO-LUMO gaps and optical absorptions. With the substitution of Cd by Zn, the structural, electronic, and optical properties of clusters change regularly. The binding energy increases with Zn content, attributed to the strong Zn–Se bonding. For the same core/shell, the structure with a CdSe shell/core has a narrower gap than that with a ZnSe shell/core. The optical absorption spectra also change accordingly with Zn substitution. The peaks blueshift with increasing Zn concentration, accompanying with shape variations in case large number of Cd atoms are substituted. Our calculations reveal the core-shell interaction and its influence on the electronic and optical properties of the core-shell clusters, suggesting a composition–structure–property relationship for the design of core-shell CdSe and ZnSe nanoclusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Tritiated Sulfur Hexafluoride Disposition Strategies

Tritium (T 2 ) is a radioactive isotope of hydrogen that is produced in nuclear fission reactions and is often used in nuclear fusion reactions and accelerator-based applications for medical isotope production. As a hydrogen isotope, tritium can readily bind to hydroxyl radicals (OH), forming tritiated water (HTO or T 2 0), and to carbon atoms. Tritium decays to helium-3 ( 3 He) via beta-decay with max decay energy of 18.6 keV. While it is not an external radiation hazard, it can be an internal radiation hazard if tritium is inhaled, ingested, or absorbed through the skin. In applications where tritium is handled, tritium confinement is performed using different barriers to minimize releases to the environment. For gaseous (elemental), liquid (oxide), and metal (hydride) tritium, process piping and components provide the primary confinement function. Secondary tritium confinement is typically provided by inert (i.e. non-flammable gases such as nitrogen, argon, or helium) gloveboxes which are connected to a tritium stripper system. Primary tritium confinement barriers typically produce low volumes of high tritium concentrations of tritiated methane from carbon in steels or organic materials along with tritiated water/tritium oxide (e.g. HTO) and tritiated ammonia from reactions with oxygen and nitrogen. Tritium escaping primary confinement into secondary confinement atmospheres (e.g. gloveboxes) produce higher volumes of lower activity contamination than found in process piping. Tritium contamination also occurs by leaks or tritium permeation/diffusion through confinement materials. Tritium from inside primary confinement barriers will diffuse or leak out of the primary confinement barrier and usually into the air, if the system is inside an air hood or ventilated hot cell, or into the secondary confinement (e.g. glovebox) atmosphere which is either exhausted or stripped based on the function of the secondary confinement (glovebox) system. Accelerator based processes for medical isotope production represent an atypical tritium contamination challenge. In medical isotope production, deuterium supply gas is ionized and accelerated to a tritium gas target to produce neutrons that are then used to produce the medical isotopes through additional nuclear fission reactions. To create large voltage differentials for accelerator operations, an electrical insulation medium is needed to prevent or rapidly quench electric discharges. A common electrical insulation medium utilized in accelerator applications is sulfur hexafluoride (SF 6 ) gas. SF 6 has a high dielectric strength and allows for the construction of smaller accelerator systems compared to other electrical insulation mediums such as air or dry nitrogen. Due to tritium permeation/diffusion through accelerator process and confinement materials, there is the possibility that tritium can contaminate the electrical insulation medium of the accelerator. Tritium contaminated SF 6 creates a material without any obvious processes for managing the contamination, reuse, or disposal of the used SF 6 . This document will discuss possible management strategies for tritium contaminated SF 6 for accelerator-based processes for Molybdenum-99 (Mo-99) production.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Density of molten oxides measured in an aero-acoustic levitator

Knowing the thermophysical properties of high-temperature melts can aid the design of melt processes and validate atomic structural models, such as those used in studying glass formation. Property measurements on such melts are challenging, however, due to container-related contamination and heterogeneous nucleation. Containerless processing techniques that employ levitation can be used to avoid these obstacles. In that context, we demonstrate here the application of silhouette imaging to measure the density of molten oxides in an aero-acoustic levitation instrument (AAL). The AAL combines gas jet levitation with actively controlled acoustic positioning to enable full optical access to samples ca. 2–4 mm in diameter, which are laser beam heated and melted. The cross sections of molten drops are imaged using a monochromatic light source and narrowband-filtered camera. Melt volume is calculated from the cross sections and used to find density at several temperatures ranging 1530–1920 K, including up to 350 K of supercooling. We report densities for CaAl 2 O 4 , Ca 12 Al 14 O 33 , CaSiO 3 , their Fe 2 O 3 -bearing analogs, and 83TiO 2 -17RE 2 O 3 (RE = La or Nd). These provide important benchmarks of the capabilities, measurement uncertainties, and future outlook for this technique.

36 MATERIALS SCIENCE↗
DOE OSTI2016

High-power gas-discharge excimer ArF, KrCl, KrF and XeCl lasers utilising two-component gas mixtures without a buffer gas

Results of an experimental study of the influence of a gas mixture (laser active medium) composition on an output energy and total efficiency of gas-discharge excimer lasers on ArF* (193 nm), KrCl* (222 nm), KrF* (248 nm) and XeCl* (308 nm) molecules operating without a buffer gas are presented. The optimal ratios of gas components (from the viewpoint of a maximum output energy) of an active medium are found, which provide an efficient operation of laser sources. It is experimentally confirmed that for gas-discharge excimer lasers on halogenides of inert gases the presence of a buffer gas in an active medium is not a necessary condition for efficient operation. For the first time, in two-component gas mixtures of repetitively pulsed gas-discharge excimer lasers on electron transitions of excimer molecules ArF*, KrCl*, KrF* and XeCl*, the pulsed energy of laser radiation obtained under pumping by a transverse volume electric discharge in a low-pressure gas mixture without a buffer gas reached up to 170 mJ and a high pulsed output power (of up to 24 MW) was obtained at a FWHM duration of the KrF-laser pulse of 7 ns. The maximal total efficiency obtained in the experiment with two-component gas mixtures of KrF and XeCl lasers was 0.8%. (lasers)

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Electronic spin transition in FeO 2 : Evidence for Fe(II) with peroxide O 2 2 –

The discovery of FeO 2 containing more oxygen than hematite (Fe 2 O 3 ), which was previously believed to be the most oxygen rich iron compound, has important implications for the study of deep lower mantle compositions. Compared to other iron compounds, there are limited reports on FeO 2 , making studies of its physical properties of great interest in fundamental condensed matter physics and geoscience. Even the oxidation state of Fe in FeO 2 is the subject of debate in theoretical works and there have not been reports from experimental electronic and magnetic properties measurements. Here, we report the pressure-induced spin state transition from synchrotron experiments and our computational results explain the underlying mechanism. Using density functional theory and dynamical mean field theory, we calculated spin states of Fe with volume and Hubbard interaction U change, which clearly demonstrate that Fe in FeO 2 consists of Fe(II) and peroxide O 2– 2 . In conclusion, our paper suggests that the localized nature of both Fe 3d orbitals and O 2 molecular orbitals should be correctly treated for unveiling the structural and electronic properties of FeO 2 .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Materials Modeling for High-Performance Radiation Detectors

Limitations in the performance of room-temperature gamma radiation detectors are intimately related to the properties of the materials used to fabricate them. In particular, atomic-scale defects in the materials that can depend on crystal growth or device processing conditions often ultimately determine the performance of a given detector. Understanding the origins and consequences of these various defects is essential to optimizing the materials and achieving maximum device performance (e.g., energy resolution and sensitivity). This project aims to enable rational materials design for select high-payoff challenges in radiation detection materials by using state-of-the-art modeling techniques bridging multiple resolutions. Three specific high-impact challenges are addressed: (i) design and optimization of electrical contact stacks for thallium bromide (TlBr) detectors to stabilize temporal response at room-temperature; (ii) design of host glass for large-volume, low-cost, high-performance glass scintillators; and (iii) determination of the electrical impacts of dislocation networks in cadmium zinc telluride (CZT) that limit its performance and usable single-crystal volume.

36 MATERIALS SCIENCE↗
DOE OSTI2018

First-Principles Investigation of Ferromagnetic, Thermodynamic, Elastic, and Half-Metallic Behavior of ReCrTe and RuCrTe Half-Heusler Alloys

Calculations are realized within the full-potential linearized augmented plane wave (FP-LAPW) computational approach with the generalized gradient approximation (GGA) for the exchange-correlation potential. In this work, we present investigation of structural, electronic, ferromagnetic, elastic, and thermodynamic properties and half-metallic behavior of ReCrTe and RuCrTe compounds. Analysis of band structures and densities of states show the half-metallic ferromagnetic behavior of these compounds. The values of total magnetic moments µ{sub tot} are 1 µ{sub B} per unit cell for ReCrTe and 3 µ{sub B} per unit cell for RuCrTe. The contribution of Cr is the most important. The calculated values of a total magnetic moment nicely follow the rule µ{sub tot} = Z{sub t}− 18. The study of the impacts of strains on the magnetic moment reveals that the two compounds are stable ferromagnetic compounds. RuCrTe compound preserves the half-metallic behavior when the unit cell volume is changed in the range of [ − 4%, 4%], whereas, weak strain destroys the half metallic nature for ReCrTe compound. Using the quasi-harmonic Debye model, the effects of pressure P and temperature T on thermal expansion coefficient, Debye temperature, heat capacity and Grüneisen parameter for these two compounds are investigated for the first time. The study of the elastic constants shows that ReCrTe and RuCrTe are mechanically stable. RuCrTe is stiffer than ReCrTe compounds. The obtained values of Pugh’s ratio B/G and Cauchy pressure (C{sub 12} − C{sub 44}) reveal that ReCrTe and RuCrTe are brittle. The study of the electron charge density and Poisson’s ratio proves that the ionic character dominates the atomic bonding for the two compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

How does your gyroid grow? A mesoatomic perspective on supramolecular, soft matter network crystals

We propose and describe a framework to understand the structure of supramolecular network crystals formed in soft matter in terms of mesoatomic building blocks, collective groupings of amphiphilic molecules that play a role analogous to atomic or molecular subunits of hard matter crystals. While the concept of mesoatoms is intuitive and widely invoked in crystalline arrangements of spherelike or cylinderlike (micellelike) domains, analogous notions of natural and physically meaningful building blocks of triply periodic network (TPN) crystals, like the double-gyroid or double-diamond structures are obscured by the complex, bicontinuous domain shapes and intercatenated topologies of the double networks. Focusing on the specific example of diblock copolymer melts, we propose generic rules for decomposing TPN crystals into a unique set of mesoatomic building blocks. Based on physically motivated principles, the combination of symmetries and topologies of these structures point to mesoatomic elements associated with the nodal connections, leading to mesoatomic volumes that are nonconvex and bound by smoothly curved faces, unlike the more familiar Voronoi polyhedral shapes associated with spherelike and cylinderlike mesoatoms. We analyze the shapes of these mesoatoms, their internal structure, and importantly, their local packing with neighbor mesoatomic units. Importantly, we hypothesize that mesoatoms are kinetically favored intermediate structures whose local shapes and packing template network crystal assembly on long time scales. We propose and study a minimal energetic model of mesoatom assembly for three different cubic double-network crystals, based on local shape packing, which predicts a detailed picture for kinetics of intercatenation and surface growth. Based on these analyses, we discuss several possible extensions and elaborations of the mesoatomic description of supramolecular soft matter network crystals, most notably the implications of mesoatomic malleability, a feature that distinguishes soft matter from hard matter crystals. We describe experimental observations of malleable mesoatomic units in the precursor sponge phase as well as in ordered cubic networks and suggest possibilities for observing mesoatoms in primordial, precrystalline states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2019

Review of Habitable Softgoods Inflatable Design, Analysis, Testing, and Potential Space Applications

Inflatable space structures have the potential to significantly reduce the required launch volume of large crewed pressure vessels for space exploration missions. Mass savings can also be achieved via the use of high specific strength softgoods materials, and the reduced design penalty from launching the structure in a densely packaged state. Inflatable softgoods structures have been investigated since the late 1950's, and several major development programs at NASA and in industry have helped advance the state-of-the-art in this technology area. This paper discusses the design, analysis, structural testing, and potential applications for inflatable softgoods structures. In particular, this paper will discuss the design of the multi-layer softgoods shell (inner layer, bladder, structural restraint layer, micrometeoroid orbital debris protection layers, thermal insulation layers, and atomic oxygen layer (for low earth orbit) and the results of material and module-level testing that has been conducted over the past two decades at NASA. Finally, the current utilization of expandable spacecraft structures is discussed, as well as potential future applications including airlocks and habitats on the Lunar Orbital Platform-Gateway, and the surface of the Moon and Mars.

Valle, Gerard↗
DOE OSTI2018

Optimising National WM Strategies through early consideration of Nuclear Safeguards - 18607

International Atomic Energy Agency (IAEA) safeguards stand alongside safety and security as one of the three pillars for prudent management of all nuclear material, including nuclear waste. Although safety considerations, including public and environmental radiation protection, are the traditional drivers of waste management strategies, there is a requirement for nuclear safeguards in shaping and quantifying long-term solutions for special classes of radioactive waste. This is especially important when considering the disposal of nuclear material in a repository that could be released from regulatory oversight for radiation protection after a period of institutional control, as some safeguards oversight would still be required. Failure to consider nuclear safeguards at the early stages of planning may alternatively lead to excessive volumes for disposal or the need to recondition already treated wastes. At the very least, safeguards measures should be considered before countries seek to dispose of legacy nuclear materials, decommissioning wastes and other materials containing uranium, thorium or plutonium in an operating repository. Nuclear safeguards are the set of tools and techniques used by the IAEA to verify that countries comply with their international obligations not to divert nuclear materials to nuclear explosive devices. Under the Nuclear Non-Proliferation Treaty (NPT), nuclear safeguards apply to all uranium, thorium and plutonium held in non-weapons NPT states, with limited exceptions. In nuclear-weapon states, much of their material is likewise subject to IAEA safeguards through conditions in agreements with respective suppliers of the uranium. Under IAEA safeguards, such nuclear material must remain accounted for and accessible for periodic verification-analogous to the safety concepts of reversibility and retrievability. Nevertheless, safeguards requirements can be terminated - provided that the State and the [IAEA] agree that such nuclear material is practicably irrecoverable - through dilution or immobilisation in solid form (such as cement, glass or ceramic). This means candidate material can be disposed of as non- nuclear material, with no further safeguards requirements, provided this criterion is met. Unlike radiological wastes where repository design strongly influences pathways for radionuclide migration and overall safety performance, repository design is not a factor in considering the termination of safeguards on nuclear material. This paper looks at similarities and differences in the safety, security and safeguards regulatory requirements for the management of radioactive waste and nuclear material in Australia. In particular, it outlines recent experience gained from participation in Australia's waste acceptance criteria working group for a national low-level waste repository and intermediate-level waste store, as well as from Australia's overall waste management strategy. These items of work have coincided with the IAEA update of its internal policy on termination of safeguards on nuclear material. Australia's experience shows how inclusion of safeguards criteria in the planning process is leading to optimisations in choice of facility concepts, project sequencing and equitable distribution of economic risk. By considering the three pillars-safety, security and safeguards-early on in the planning process, Australia's waste management strategy will provide a benchmark for other states in establishing and updating their own waste acceptance criteria for the disposal of nuclear material. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

The anion exchange properties of AFm (hydrocalumite-group) minerals defined from solubility experiments and crystallographic information

Solubility experiments with binary series of OH-, Cl-, SO{sub 4}- and CO{sub 3}-AFm were re-examined with a non-ideal, multicomponent solid solution model. The electrical double layer on the mineral's outer surface, which neutralizes about 5% of the anionic charge, can be included. The choice of the end-members in the solid solution and the reaction formulation can help to eliminate the ‘non-ideality’ for OH-SO{sub 4} and Cl-OH exchange. CO{sub 3}-Cl-OH exchange is not ideal in the solubility experiments, nor can it be, because the mineral volume is not a linear combination of the end-members. The solubilities of the end-members are related to the anion charge and inversely to the anion-layer thickness. OH is part of the anion-charge, even when a pure, other anion form is the target of the synthesis. Pure OH-AFm is unstable and converts into hydrogarnet and portlandite, depending on the precipitation rate of hydrogarnet.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electronic Conductivity of Nanoporous Indium Oxide Derived from Sequential Infiltration Synthesis

Sequential infiltration synthesis (SIS) is a vapor phase synthetic method that enables the selective nucleation and growth of metal oxides within polymer volumes. The expanding palette of SIS materials and process designs enables tunability of the resulting material properties. We derive porous indium oxide thin films from the SIS of indium oxide using trimethyl indium and H 2 O 2 in polymethyl methacrylate films and observe the strong effect of SIS and post-deposition processing, which affords 7 orders of magnitude of tunability in electrical resistivity. While as-deposited hybrid nanocomposites show no measurable conductivity, high-temperature treatment in O 2 removes the polymer matrix and creates a porous nanocrystalline In 2 O 3 film with resistivities ranging from 10 3 to 10 5 Ω*cm, with lower resistivity correlated to larger grain sizes. Subsequent annealing in H 2 decreases the resistivity of films to less than 10 –2 Ω*cm. A clear correlation between increasing In 2 O 3 volume fraction, grain size, and carrier mobility is observed, which arises from increased percolation pathways, path length, and contact area in nanocrystalline In 2 O 3 films. Furthermore, this wide tunability demonstrates the importance of understanding growth mechanisms and processing conditions for functional materials development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

PULSION registered HP: Tunable, High Productivity Plasma Doping

Plasma doping has been explored for many implant applications for over two decades and is now being used in semiconductor manufacturing for two applications: DRAM polysilicon counter-doping and contact doping. The PULSION HP is a new plasma doping tool developed by Ion Beam Services for high-volume production that enables customer control of the dominant mechanism--deposition, implant, or etch. The key features of this tool are a proprietary, remote RF plasma source that enables a high density plasma with low chamber pressure, resulting in a wide process space, and special chamber and wafer electrode designs that optimize doping uniformity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Burning velocities of R-32/O 2 /N 2 mixtures: Experimental measurements and development of a validated detailed chemical kinetic model

This work entails characterizing the flammability of the refrigerant R-32 (CH 2 F 2 ) by both experimental measurements and modeling. Burning velocities S u were measured using a constant-volume spherical-flame method for R-32/O2/N 2 mixtures with O 2 /N 2 ratios ranging from 21% (synthetic air) to 40%, pressures of (1 to 3) bar, and equivalence ratios $\phi$ of (0.8 to 1.3). Based on a critical assessment of available data, and extended by our own calculations, a detailed chemical kinetic model was developed and key reactions determined using reaction path and sensitivity analyses. Initiation and combustion were identified as distinct kinetic regimes and burning velocities were found to be controlled by two primary reactions: unimolecular decomposition of CH 2 F 2 → CHF + HF and the subsequent reaction, CHF + O 2 → CHFO + O, the latter reaction initiating the radical chain propagating and branching by producing O atoms. Sensitive rate constants in the kinetic model were critically adjusted within their uncertainties and current knowledge bounds to best fit the experimental burning velocities. We found that rate constants in the model could be adjusted to match a given experimental S u for specific conditions (O 2 loading, P, T, $\phi$). This, however, then fixes predicted burning velocities for other all conditions within (3 to 4)% if physically realistic rate parameters are maintained. Thus, the entire set of experimental data is fit, not just to particular conditions. Relative random uncertainties in the experimental Su measurements were (4 to 6)%, but assumptions made for thermal radiation lost by the burned gas in the spherical-flame experiments add an additional systematic uncertainty. Systematic differences between the limiting cases of adiabatic (no thermal radiation lost) and optically-thin (all thermal radiation lost) varied significantly with conditions and ranged from (4 to 30)% at high to low velocities, respectively, translating into uncertainties of (2 to 15)% considering the average of two limiting cases. Comparison of experimental and kinetically modeled Su values suggests that the burned gas tends towards the optically-thin limit at the lowest pressures and fuel loadings and toward the adiabatic limit at the highest pressures and loadings. We tested and found support for this conclusion with a detailed analysis as a function of all the conditions (T, P, % O 2 , $\phi$). This behavior appears to transition from optically-thin to adiabatic as the density of the initial fuel increases, which results in increased CO 2 in the burned gas and thus increased absorption of the thermal radiation (consistent with the Beer-Lambert Law). The validated detailed model based on evaluated kinetics is shown to accurately predict burning velocities for R-32 O 2 /N 2 mixtures over a wide range of conditions and provides a reliable basis for extrapolation to other conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Compact Termination for Structural Soft-goods

Glass fiber is unique in its ability to withstand atomic oxygen and ultraviolet radiation in-space environments. However, glass fiber is also difficult to terminate by traditional methods without decreasing its strength significantly. Glass fiber products are especially sensitive to bend radius, and do not work very well with traditional 'sewn loop on pin' type connections. As with most composites, getting applied loads from a metallic structure into the webbing without stress concentrations is the key to a successful design. A potted end termination has been shown in some preliminary work to out-perform traditional termination methods. It was proposed to conduct a series of tensile tests on structural webbing or cord to determine the optimum potting geometry, and to then be able to estimate a weight and volume savings over traditional sewn-overa- pin connections. During the course of the investigation into potted end terminations for glass fiber webbing, a new and innovative connection was developed that has lower weight, reduced fabrication time, and superior thermal tolerance over the metallic end terminations that were to be optimized in the original proposal. This end termination essentially transitions the flexible glass fiber webbing into a rigid fiberglass termination, which can be bolted/fastened with traditional methods

Wilkes, Robert, Jr.↗
DOE OSTI2018

Coaxial Electrospray Ionization for the Study of Rapid In-source Chemistry

Coaxial electrospray has been used effectively for several dual-emitter applications, but has not been utilized for the study of rapid in-source chemistry. In this paper, we report the fabrication of a coaxial, micro-volume dual-emitter through the modification of a manufacturer’s standard electrospray probe. This modification creates rapid mixing inside the Taylor cone and the ability to manipulate fast reactions using a variety of solvents and analytes. We demonstrate its potential as a low-cost, dual-emitter assembly for diverse applications through three examples: relative ionization in a biphasic electrospray, hydrogen-deuterium exchange, and protein supercharging. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Manganese nanoclusters and MnSi{sub {approx}1.7} nanowires formed on Si(110): A comparative x-ray photoelectron spectroscopy study

The growth of Mn on a Si(110) surface at room temperature (RT) and 550 Degree-Sign C has been investigated by scanning tunneling spectroscopy (STM) and X-ray photoelectron spectroscopy (XPS). STM observation shows that the growth at 550 Degree-Sign C results in the formation of nanowires (NWs), while that at RT produces only nanoclusters. The Mn 2p XPS spectra unambiguously reveal that the NWs are composed of MnSi{sub {approx}1.7} and the nanoclusters are composed of Mn. Curve-fitting analysis of the spectra shows that 64.9% of the NWs were oxidized due to atmospheric exposure during sample transfer, while the Mn nanoclusters were completely oxidized under the same conditions. This fact indicates that the MnSi{sub {approx}1.7} NWs have better oxidation resistance than the Mn clusters, which can be attributed to the protection effect of the SiO{sub 2} layer formed on the NWs and the smaller surface to volume ratio of the NWs comparing with the clusters. The binding energy of Mn 2p for the NWs exhibits a negative shift of {approx}0.5 eV with respect to the Mn metallic state, which is similar to the silicide state of earlier transition metals Ti and Cr, but different from that of later transition metals Fe and Ni. This negative shift can be attributed to the contribution of Madelung potential.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A Low-Cost Lightweight Entropic Alloy with High Strength

In this study, a series of lightweight Al–Mg system entropic alloys containing Zn, Cu, and Si were designed based on the order/disorder or entropy, and eutectic concepts. The alloys of Al{sub 58.5}Mg{sub 31.5}Zn{sub 4.5}Cu{sub 4.5}Si{sub 1}; Al{sub 63}Mg{sub 27}Zn{sub 4.5}Cu{sub 4.5}Si{sub 1}; Al{sub 66.7}Mg{sub 23.3}Zn{sub 4.5}Cu{sub 4.5}Si{sub 1}; Al{sub 80}Mg{sub 14}Zn{sub 2.7}Cu{sub 2.7}Si{sub 0.6}; Al{sub 85}Mg{sub 10.5}Zn{sub 2.025}Cu{sub 2.025}Si{sub 0.45}; and Al{sub 90}Mg{sub 7}Zn{sub 1.35}Cu{sub 1.35}Si{sub 0.3} were prepared by induction melting under a high-purity argon atmosphere and then casted into stainless steel molds. The microstructures which were tested in the as-cast state exhibited multiphases and contained apparent volume fractions of intermetallic compounds and solid solutions. Then, the compressive mechanical properties of the alloys were measured, and high fracture strengths of 577, 677, 590, 498, 814, and 794 MPa, respectively, were determined. Strong hardening phenomena were observed in the Al{sub 80}Mg{sub 14}Zn{sub 2.7}Cu{sub 2.7}Si{sub 0.6}, Al{sub 85}Mg{sub 10.5}Zn{sub 2.025}Cu{sub 2.025}Si{sub 0.45}, and Al{sub 90}Mg{sub 7}Zn{sub 1.35}Cu{sub 1.35}Si{sub 0.3} alloys at room temperature, with amazing plasticity percentages of 13.8, 24.8, and 32.7%, respectively. The property differences in the lightweight alloys were analyzed using the following parameters: the critical values of the enthalpy of mixing; atomic size differences; ratio of entropy to enthalpy; valence electron concentration (VEC); and Pauling electronegativity difference. Finally, three of the aforementioned parameters (atomic size difference, enthalpy of mixing, and Pauling electronegativity difference) were regarded in this study as the crucial rules for the lightweight multicomponent alloys.

36 MATERIALS SCIENCE↗