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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Formation Pathway of Wurtzite-like Cu 2 ZnSnSe 4 Nanocrystals

Cu 2 ZnSnSe 4 is a direct band gap semiconductor composed of Earth-abundant elements, making it an attractive material for thin film photovoltaic technologies. Cu 2 ZnSnSe 4 crystallizes in the kesterite structure type as a bulk material, but it can also crystallize in a metastable wurtzite-like crystal structure when synthesized on the nanoscale. The wurtzite-like polymorph introduces unique and useful properties to Cu 2 ZnSnSe 4 materials, including widely tunable band gaps and superior composi-tional flexibility as compared to kesterite Cu 2 ZnSnSe 4 . Here, we investigate the formation pathway of colloidally prepared wurtzite-like Cu 2 ZnSnSe 4 nanocrystals. We show that this quaternary material forms through a chain of reactions, starting with binary Cu 3 Se 2 nanocrystals that, due to both kinetic and thermodynamic reasons, preferentially react with tin to yield hexagonal copper tin selenide intermediates. Furthermore, these ternary intermediates then react with zinc to form the resulting wurtzite-like Cu 2 ZnSnSe 4 nanocrystals. Based on this formation pathway, we suggest synthetic methods that may prevent the for-mation of unwanted impurity phases that are known to hamper the efficiency of Cu 2 ZnSnSe 4 -based optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Preparation and Characterization of YBa 2 Cu 4 O 8 Superconductor

Solid-state reaction of appropriate amounts of Y 2 O 3 , BaCOs, and CuO for 2 h at 800°C in flowing oxygen with a total pressure of 2.7 x 10 2 Pa (2 mm Hg), followed by cooling and annealing at 750°C for 10 h in oxygen at ambient pressure, has produced orthorhombic YBa 2 Cu 4 O 8 (124) as the main phase with YBa 2 Cu 3 O x (123) as an impurity phase. After the as-calcined powder was annealed in oxygen at 800°C for 24 h under ambient pressure, the phase purity improved considerably. Calcined 124 powder was pressed into pellets and rapidly annealed at temperatures from 870°C to 935°C. At these temperatures, the 124 decomposed into 123. The superconducting transition temperature, T c , of the annealed samples depended upon the annealing temperature and atmosphere. The decomposed samples have been characterized by low field RF SQUID magnetometer and high resolution transmission electron microscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Isolating intermediate Mg 11 Cu 6 Al 12 phase in ternary Mg-Cu-Al alloy by electrolytic dealloying

While dealloying is widely used to create nanoporous materials, it has rarely been employed to isolate difficult-to-synthesize intermediate phases. Here, in this work, we show how air-free, electrolytic dealloying at room temperature can be used to isolate the ternary intermetallic Mg 11 Cu 6 Al 12 phase. We create a ternary Mg-Cu-Al parent alloy containing the Mg 11 Cu 6 Al 12 compound and other phases, then subsequently remove these other phases via electrolytic dealloying to isolate the Mg 11 Cu 6 Al 12 phase. Isolated Mg 11 Cu 6 Al 12 phase exhibits ≈1 μm diameter rod-shaped microstructure. Phase and chemical analysis conducted using various techniques, including inductively coupled plasma and lab and synchrotron-based X-ray diffraction, show minimal impurities. This new approach to isolate the Mg 11 Cu 6 Al 12 phase can unlock its use in fundamental research and can be applied to other difficult-to-synthesize intermetallic compounds.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Surface diffusion activation energy determination using ion beam microtexturing

The activation energy for impurity atom (adatom) surface diffusion can be determined from the temperature dependence of the spacing of sputter cones. These cones are formed on the surface during sputtering while simultaneously adding impurities. The impurities form clusters by means of surface diffusion, and these clusters in turn initiate cone formation. Values are given for the surface diffusion activation energies for various materials on polycrystalline Cu, Al, Pb, Au, and Ni. The values for different impurity species on each of these substrates are approximately independent of impurity species within the experimental uncertainty, suggesting the absence of strong chemical bonding effects on the diffusion.

Rossnagel, S. M.↗
DOE OSTI2025

First result of boronization assisted by the ICWC on EAST with full metal wall

Boron (B), a low-Z (atomic number) material, has been widely utilized in wall conditioning to improve plasma performance in fusion devices. In 2023, boronization was successfully conducted on EAST featuring an ITER-like tungsten divertor and fully metallic first wall. The process employed predischarge coating with carborane (C 2 B 10 H 12 ) as the working material, assisted by ion cyclotron wall conditioning (ICWC). After one time 12 g boronization, it was found the thickness of B film was approximately 120 nm. Post-boronization observations indicated that substantial hydrogen (H) release during initial plasma discharges compared with the consumed W/B wall, attributed to H co-deposition during the ICWC-boronization processing, which led to uncontrollable divertor neutral pressure and plasma density. The H/(H + D) ratio demonstrated a gradual reduction from ∼85% to 30% over more than 1850 s of deuterium plasma, with a cumulative injected energy of 2325 MJ. The B coating significantly enhanced the stored energy in plasma and improved confinement performance. The stored energy in plasma showed an increase of about 20%, primarily due to a reduction in impurity radiation, including oxygen (O) and heavy impurities such as tungsten (W), iron (Fe), and copper (Cu). The effective ion charge (Z eff ) decreased from 2.3 to 2.0. Following ICWC-boronization, the line-integrated radiation profile decreased by nearly 35% in the plasma core, plasma density and electron temperature exhibited an increase of ∼7% and 12% due to enhanced wall fueling and reduced impurity radiation. The lifetime of boronization, as evaluated by the line emissions from boron and other impurity radiation, was about 1700 s of deuterium plasma, with a cumulative injected energy of 2125 MJ on EAST. These findings provide significant insights for evaluating ICWC-boronization applicability in ITER with full W wall structure.

EAST↗
NASA NTRS1979

Electron mobility and free-carrier absorption in GaAs - Determination of the compensation ratio

Theoretical calculations of electron mobility and free-carrier absorption in n-type GaAs at room temperature were carried out taking into consideration all major scattering processes. It was found that satisfactory agreement between theoretical and experimental results on free-carrier absorption is obtained only when the effect of compensation is quantitatively taken into account. In conjunction with experimental studies it is shown that the electron mobility (for n greater than 10 to the 15th per cu cm) and free-carrier absorption (for n greater than 10 to the 16th per cu cm) are sufficiently sensitive to the ionized impurity concentration to provide a reliable means for determining the compensation ratio. Convenient procedures are presented for the determination of the compensation ratio from the free-carrier absorption coefficient and from the computed values of room-temperature electron mobility. Values of the compensation ratio obtained by these two procedures are in good agreement provided the carrier-concentration variations in the material are not appreciably greater than 10%.

Walukiewicz, W.↗
DOE OSTI2025

Microscopic Characterization of Pb 10−x Cu x (PO 4 ) 6 O by 31 P and 63/65 Cu NMR Measurements

The report of the first room-temperature, ambient-pressure superconductivity in copper-doped lead apatite Pb 10−x Cu x (PO 4 ) 6 O has attracted lots of attention. However, subsequent studies revealed the presence of numerous impurity phases in the polycrystalline sample, and the sharp superconducting-like transition is not due to a superconducting transition but most likely due to a reduction in resistivity caused by the first-order structural phase transition of Cu 2 S at around 385 K from the β phase at high temperature to the γ phase at low temperature. Before now, only bulk measurements have been performed on a Pb 10−x Cu x (PO 4 ) 6 O powder sample, which could be affected by the impurity phases, masking the intrinsic properties of Pb 10−x Cu x (PO 4 ) 6 O. In this study, 31 P and 63/65 Cu nuclear magnetic resonance (NMR) measurements have been performed on a Pb 10−x Cu x (PO 4 ) 6 O powder sample to investigate its physical properties from a microscopic point of view. Our NMR data evidence the non-magnetic insulating nature of Pb 10−x Cu x (PO 4 ) 6 O without any trace of electron correlation effects. Furthermore, the 63/65 Cu NMR results suggest that no copper or very little copper is substituted for Pb in Pb 10 (PO 4 ) 6 O prepared by sintering Pb 2 SO 5 and Cu 3 P.

lead apatite↗
NASA NTRS1980

Method of mitigating titanium impurities effects in p-type silicon material for solar cells

Microstructural evaluation tests performed on Cu-doped, Ti-doped and Cu/Ti doped p-type silicon single crystal wafers, before and after the solar cell fabrication, and evaluation of both dark forward and reverse I-V characteristic records for the solar cells produced from the corresponding silicon wafers, show that Cu mitigates the unfavorable effects of Ti, and thus provides for higher conversion efficiency, thereby providing an economical way to reduce the deleterious effects of titanium, one of the impurities present in metallurgical grade silicon material.

Salama, A. M.↗
DOE OSTI2020

Grain Refinement Effect on the Hot-Tearing Resistance of Higher-Temperature Al–Cu–Mn–Zr Alloys

The hot-tearing resistance of Al-Cu-Mn-Zr (ACMZ) alloys was investigated as a step toward introducing these new cast alloys for severe duty, higher-temperature applications, such as cylinder heads for down-sized, turbocharged automotive engines. Alloy Cu compositions were varied from 5 to 8 wt.%. Targeted Ti levels were 0.02, 0.1, and 0.2 wt.% via additions of the Al–5Ti–1B master alloy. Hot-tearing resistance was assessed by visual examination and ranking of the cracking severity in a multi-arm permanent mold casting. It was found that at high impurity contents (Fe and Si of 0.2 wt.% each), the Al–Cu–Mn–Zr alloy with 4.95 wt.% Cu exhibited the poorest hot-tearing resistance, irrespective of the grain refining amount. Microstructural analysis indicated an effective reduction in the grain size, as the Ti additions were increased to 0.02 and 0.1 wt.% Ti via the Al–Ti–B grain refiner. The finest grain size was attained with a 0.1 wt.% Ti. Based on the hot-tearing evaluation, it was found that the additional grain refining via the Al–5Ti–1B master alloy at 0.1 wt.% Ti significantly reduces the hot-tearing susceptibility at Cu contents greater than 7.3 wt.% for ACMZ alloys with low Fe and Si. These findings indicate that the best hot-tearing resistance was observed at a grain refiner level of 0.1 wt.% Ti and high Cu content (greater than 7.3 wt.%). This study to indicates that these Al–Cu–Mn–Zr alloys, which possess excellent microstructural stability and mechanical properties at elevated temperatures, can also possess excellent hot-tearing resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Inversion of dislocation-impurity interactions in α -Fe under magnetic state changes

Here, in this work, we investigate the dislocation-impurity interaction energies and their profiles for various 3d elements —V, Cr, Mn, Cu, Ni, and Co —in and around 1/2 $\langle111\rangle$ screw dislocations in α -Fe using ab initio methods. We consider the ferromagnetic and paramagnetic states, with the latter being modeled through both the disordered local moment model and a spin-wave approach. Our findings reveal that (1) magnetic effects are large compared to size misfit effects of substitutional impurities, and (2) dislocation-impurity interactions are dependent on the magnetic state of the matrix and thermal lattice expansion. In particular, Cu changes from core-attractive in the ferromagnetic state to repulsive in the paramagnetic state.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Sticking Coefficients of Fusion Reactor Impurities from Molecular Dynamics Simulations for the Design of Cryopumps

A cryopump can be utilized as an impurity removal component of a direct internal recirculation (DIR) system for the fusion fuel cycle. The DIR facilitates a low fuel inventory by continuously pumping unburnt fuel while removing impurities from the fusion exhaust stream. A cryopump can target multiple impurity species by maintaining a temperature lower than the gas triple-point temperature that promotes desublimation. The desublimation/condensation of gases in cryopumps can be characterized by the sticking coefficient, which is defined as the probability for a gas particle to stick to a (cryo-)surface upon collision. The sticking coefficient is one of the important design/operation parameters for cryopumps, and it depends on a variety of surface and gas properties. Here, in this study, molecular dynamics simulations were utilized to estimate the sticking coefficients of typical fusion gas impurity species N 2 , CO 2 , and CH 4 over a Cu surface for a range of gas temperatures and surface coverages. The molecular dynamics study showed that the sticking coefficients for gases decrease with an increase in gas temperature. The presence of a single full monolayer of condensate on the metallic surface showed an adverse effect on the sticking of gases; however the sticking improved with two full monolayers of condensate on the surface. The sticking of gases over the mixed condensate on a surface was more favorable than the condensate of the same species for N 2 and CH 4 , with an exception for CO 2 , which showed a decrease in sticking over the mixed condensate.

cryopump↗
NASA NTRS1978

Determination of oxygen in silicon and carbide by activation with 27.2 meV alpha particles

The Si sample was polished on one side, and on the other side Ni was applied chemically and soldered with Pb to a water cooled Cu substrate. Optical quartz standard was fixed from the other side. Si carbide samples were soldered to a substrated with In. The prepared samples were irradiated in a cyclotron with a 27.2 MeV alpha particle beam. The layers were removed from the Si and Si carbide samples by grinding and the positron activity of F-18(t sub 1/2 110 min) was measured by using a gamma, gamma coincidence spectrometer with two NaI(TI) crystals. For analysis of Si carbide, the activity decay curve of the samples was recorded to find the contribution of the positron activity of Cu-65(t sub 1/2 12.9 hr) which formed from Ni impurity on irradiation.

Dolgolenko, A. P.↗
NASA NTRS1990

Effects of grain size and grain boundary on critical current density of high T(sub c) superconducting oxides

By means of adding impurity elements in high T sub c oxides, the effects were studied of grain size and grain boundary on the critical current density of the following systems: YBa2Cu3O(7-y) and Bi-Pr-Sr-Ca-Cu-O. In order to only change the microstructure instead of the superconductivity of the grains in the samples, the impurity elements were added into the systems in terms of the methods like this: (1) substituting Y with the lanthanide except Pr, Ce, and Tb in YBa2Cu3O(7-y) system to finning down grains in the samples, therefore, the effect can be investigated of the grain size on the critical current density of 1:2:3 compounds; (2) mixing the high T sub c oxides with the metal elements, such as Ag, according to the composition of (high T sub c oxide)1-xAgx to metallize the grain boundaries in the samples, studying the effect of the electric conductivity of the grain boundaries on the critical current density; (3) adding SiO2, PbO2, and SnO2 into the high T sub c oxide to form impurity phases in the grain boundaries, trying to find out the effects of the impurity phases or metalloid grain boundaries on the critical current density of the high T sub c superconductors. The experimental results indicate that in the case of of the presence of the metalloid grain boundaries finning down grains fails to enhance the j sub c, but restrains it strongly, the granular high T sub c superconductors with the small size grains coupled weakly is always the low j sub c system.

Zhao, Y.↗
DOE OSTI2024

The LLNL rabbit: determination of trace element levels in polyethylene

Rabbit facilities are systems that pneumatically transport a sample carrier (known as a rabbit) to and from a radiation source. However, trace impurities in the polyethylene (PE) rabbit may interfere with measurements of short-lived isotopes. Activated impurities with short half-lives as 28 Al interfere with the fission product γ-ray, therefore the rabbit cannot be measured immediately. Neutron activation analysis was performed on various PE samples obtained from different manufacturers and the highest quality PE was used to fabricate a high-purity PE rabbit. Here, the impurities identified in the PE study were 27 Al, 48 Ca, 37 Cl, 50 Cr, 65 Cu, 127 I, 26 Mg, 55 Mn, and 30 Si.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1980

Impurities in silicon solar cells

The paper investigates the effects of metallic impurities on the performance of silicon solar cells. Czochralski and polycrystalline ingots were employed with boron and phosphorus as primary dopants and with controlled additions of secondary impurities. The data obtained from over 200 crystals indicate that impurity-induced performance loss is primarily due to a reduction of the base diffusion length. Based on this observation, a model is developed which predicts cell performance as a function of secondary impurity concentrations. The model calculations are in good agreement with experimental values except for Cu, Ni, Fe, and to a lesser degree, carbon, which at higher concentrations degrade the cell by junction defect mechanisms.

Davis, J. R., Jr.↗
NASA NTRS1998

On the Cu-Nb Phase Diagram and Solidified Microstructures

Container and containerless processing was employed to determine liquidus temperatures and to examine microstructural development in the Cu-Nb system. The Cu-Nb phase diagram of an S-shaped, near-horizontal liquidus, has been confirmed by both the temperature-time profiles and resultant microstructures with only Nb dendrites in a Cu matrix, which were obtained from crucible experiments under clean conditions. However, the microstructural pathways of Cu-Nb alloys are particularly sensitive to processing variables. By the addition of oxygen impurities or rapid solidification, droplet-shaped morphology was observed for some compositions, implying occurrence of a liquid-phase separation. The effects of impurities and cooling rates are analyzed in connection with a stable and metastable liquid miscibility gap, respectively.

Li, D.↗
DOE OSTI2024

Microscopic examination of rf-cavity-quality niobium films through local nonlinear microwave response

The performance of superconducting radio-frequency (SRF) cavities is sometimes limited by local defects. To investigate the rf properties of these local defects, especially those that nucleate rf magnetic vortices, a near-field magnetic microwave microscope is employed. Local third-harmonic response ( P 3 f ) and its temperature dependence and rf power dependence are measured for one Nb / Cu film grown by direct current magnetron sputtering (DCMS) and six Nb / Cu films grown by high-power impulse magnetron sputtering (HiPIMS) with systematic variation of deposition conditions. Five out of the six HiPIMS Nb / Cu films show a strong third-harmonic response that is likely coming from rf vortex nucleation due to a low- T c surface defect with a transition temperature between 6.3 and 6.8 K, suggesting that this defect is a generic feature of air-exposed HiPIMS Nb / Cu films. A phenomenological model of surface-defect grain boundaries hosting a low- T c impurity phase is introduced and studied with time-dependent Ginzburg-Landau (TDGL) simulations of probe-sample interaction to better understand the measured third-harmonic response. The simulation results show that the third-harmonic response of rf vortex nucleation caused by surface defects exhibits the same general features as the data, including peaks in third-harmonic response with temperature, and their shift and broadening with higher microwave amplitude. We find that the parameters of the phenomenological model (the density of surface defects that nucleate rf vortices and the depth an rf vortex travels through these surface defects) vary systematically with film deposition conditions. From the point of view of these two properties, the Nb / Cu film that is most effective at reducing the nucleation of rf vortices associated with surface defects can be identified. Published by the American Physical Society 2024

Wang, Chung-Yang (ORCID:0000000184299633)↗