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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 667 records · Page 37

Enhanced properties of tungsten films by high-power impulse magnetron sputtering

Tungsten films (750–1200 nm thick) deposited by high-power impulse magnetron sputtering (HiPIMS) under various sputtering gas pressure and substrate bias are investigated for their physical and microstructural characteristics. Compared to films deposited by the traditional direct current (DC) method with the same deposition configuration and similar parameters, HiPIMS materials exhibit higher hardness, a smoother surface, and better adhesion to a substrate. These excellent properties are attributed to the highly uniform grain structures developed during HiPIMS deposition, in contrast to the funnel shaped grains seen in DC sputtered films. Finally, combined with the in-situ stress measurements, we discuss the underlying mechanisms that lead to enhanced properties of HiPIMS tungsten films.

36 MATERIALS SCIENCE↗

Microstructural and nanomechanical studies of PVD Cr coatings on SiC for LWR fuel cladding applications

The microstructure and nanomechanical properties of pure Cr coatings deposited on SiC with various physical vapor deposition (PVD) methods have been investigated for the mitigation of hydrothermal corrosion of SiC-SiC f (SiC fiber-reinforced SiC matrix) composite fuel cladding in light water reactors (LWR). Cr coatings (4–7 μm thick) were deposited on unbiased SiC substrates using six variants of magnetron sputtering processes: (i) standard (S-DCMS), (ii) pulsed (P-DCMS), (iii) ion-assisted (I-DCMS), and (iv) pulsed ion-assisted direct current magnetron sputtering (PI-DCMS), (v) high-power impulse magnetron sputtering (HiPIMS), and (vi) bipolar HiPIMS (B-HiPIMS). Microstructural characterization and nanoindentation testing were used to evaluate effects of deposition technique on coating microstructure and nanomechanical properties. The application of positive reverse pulses to the sputter target induced coarsening of the columnar grain structure, while ion bombardment of substrates during deposition promoted densification of the coating microstructure. Both effects are exemplified in B-HiPIMS deposition, resulting in a high-density microstructure with compressive residual stress. Material pile-up around nano-indents and plastic work during nanoindentation were analyzed to understand deformation behavior of the coatings. Finally, the results suggest the B-HiPIMS process to be among the promising methods for the deposition of Cr coatings on SiC-SiC f for LWR cladding application.

36 MATERIALS SCIENCE↗

Optimal charging management and infrastructure planning for free-floating shared electric vehicles

Recently, major car-sharing service providers have begun to include electric vehicles (EVs) in free-floating car-sharing fleets. For these EVs, downtime due to charging, including time spent traveling to and waiting in queues at charging stations in a sparse charging infrastructure network, is a major barrier to sustainable operation. An intuitive solution to overcome this barrier is to increase the number of fast-charging stations in the fleet service area. This paper studies the relationship between fleet vehicle downtime and the number of charging stations by modeling the fleet operations of a major car-sharing service provider. An integer programming model is developed that jointly optimizes charging station allocation, in terms of the number and location of charging stations, and the assignment of EVs to charging stations. Case study results showed that fleet vehicle charging time comprises 72-75% of the total downtime spent on charging trips. This indicates that charging time, as opposed to travel time or waiting time, is the dominant component of total fleet downtime for charging. The study also shows that by adding 5 to 20 new charging stations reduces total fleet downtime and travel time during charging trips by 2-4% and 26-49%, respectively. Although adding new charging stations to the fleet service area reduces total charging trip travel time significantly, it does not reduce total downtime significantly. Results also show that if the EV battery state of the charge (SOC) threshold—below which a charging trip is initiated—is less than 18%, not all EVs in the car-sharing fleet can be charged using the existing direct current fast chargers (DCFCs) in the fleet’s service area. Furthermore, this implies that adequate charging infrastructure coverage is required to ensure that EVs of a given range can operate in the car-sharing fleet.

25 ENERGY STORAGE↗

Sputter deposition of high electrical resistivity Au-Ta alloy coatings on rotating substrates

Sputter deposition of gold-tantalum alloy coatings is a key process for manufacturing hohlraums for magnetically-assisted inertial confinement fusion implosions. In this report we describe direct current magnetron sputter deposition of ~ 10 - μ~ 10 - μm-thick films of Au-80 at.% Ta onto rotating sphero-cylindrical hohlraum and planar Si witness substrates. Emphasis is given to how film microstructure and properties are affected by main deposition parameters, including argon working gas pressure, substrate bias, and the source composition (a single alloyed target compared to co-sputtering from two elemental targets). Experimental findings are correlated with distributions of landing energies and incident angles of depositing species calculated by Monte Carlo simulations of ballistic collisions and gas phase atomic transport. Deposition conditions characterized by low energetics of depositing species favor the formation of a β-Ta-like phase. Implications of these results to hohlraum fabrication are discussed.

36 MATERIALS SCIENCE↗

High-throughput multimodal exploration of a nanocrystalline Cu-Ag library

Sputter-deposited, nanocrystalline Cu-Ag thin films produced across a broad compositional and deposition-parameter space were evaluated to unravel the process-structure-property relationships important for creating hard, conductive electrical contacts and coatings. Combinatorial deposition involving pulsed direct current magnetron sputtering of elemental targets enabled swift examination of nearly the full range of alloy compositions and a relevant portion of deposition atomistics. Several high-throughput characterization modalities were employed to evaluate the chemistry, structure, and properties of the films. The resultant hardness, modulus, film density, crystal texture, and resistivity were analyzed in terms of key deposition characteristics (incident atom kinetic energy and incidence angle) predicted by binary-collision, kinematic Monte Carlo simulations. The study revealed improved hardness, parabolic resistivity dependence on composition, and compositional and process dependencies of film tarnishing. The results are discussed in the context of variations in microstructure and film density. Transmission electron microscopy and X-ray diffraction demonstrate several forms of compositional variation including solute segregation to grain boundaries as well as periodic, intragranular compositional modulations. Annealing of a Cu-rich alloy film exhibiting grain boundary segregation showed that this as-deposited, compositional variation is not stable above 100 °C. Finally, the Cu-Ag system is shown to have potential for hard, conductive, tarnish-resistant and room temperature-stable nanocrystalline thin films across the composition space.

36 MATERIALS SCIENCE↗

GHz laser-free time-resolved transmission electron microscopy: A stroboscopic high-duty-cycle method

In this study, a device and a method for producing ultrashort electron pulses with GHz repetition rates via pulsing an input direct current (dc) electron beam are provided. The device and the method are based on an electromagnetic-mechanical pulser (EMMP) that consists of a series of transverse deflecting cavities and magnetic quadrupoles. The EMMP modulates and chops the incoming dc electron beam and converts it into pico- and sub-pico-second electron pulse sequences (pulse trains) at >1 GHz repetition rates, as well as controllably manipulates the resulting pulses. Ultimately, it leads to negligible electron pulse phase-space degradation compared to the incoming dc beam parameters. The temporal pulse length and repetition rate for the EMMP can be continuously tunable over wide ranges.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Predicting battery capacity from impedance at varying temperature and state of charge using machine learning

Prediction of battery health from electrochemical impedance spectroscopy (EIS) data can enable rapid measurement of battery state in real-world applications without using additional sensors or time-consuming performance measurements. However, deconvoluting the effect of capacity, state of charge, and temperature on EIS response is complicated analytically. Here, various machine-learning models, such as linear, Gaussian process, random forest, and artificial neural network regression, are utilized to predict capacity from EIS using hundreds of capacity, direct current (DC) resistance, and EIS measurements recorded under varying conditions of health, temperature, and state of charge (SOC). Several feature extraction and selection methods from traditional electrochemical analysis and statistical modeling are explored using machine-learning pipelines. EIS data from just two frequencies can accurately predict capacity, and interrogation shows that the optimal set of frequencies is not usually intuitive. Best results are achieved with an ensemble model, which predicts battery capacity with a mean absolute error of 1.9% on data from unobserved cells.

25 ENERGY STORAGE↗

Time Matters: A Survival Analysis of Public Electric Vehicle Charging Infrastructure Utilization

The rapid adoption of plug-in electric vehicles (PEVs) places significant demands on public charging infrastructure, making it critical to understand and optimize charger utilization. This study provides one of the most comprehensive analyses of charging behavior to date by applying a survival analysis to a dataset of nearly 16 million level 2 (L2) and direct current (DC) fast charger sessions across the United States from 2017 to 2022. Using Kaplan-Meier curves and log rank tests, our analysis reveals statistically significant and distinct duration patterns influenced by charger type, time of day, and day of the week. We find that L2 charging sessions exhibit high variability tied to venue type, whereas DC sessions are more uniform, typically lasting 30-45 min. This study introduces the operational efficiency score (OES), a metric for standardizing the performance evaluation of charging stations. Our findings offer actionable insights for optimizing charger deployment, developing dynamic pricing strategies to reduce vehicle dwell time, and improving load management for grid operators, ultimately enhancing the efficiency and availability of public charging infrastructure.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Effect of ionization waves on dust chain formation in a DC discharge

An interesting aspect of complex plasma is its ability to self-organize into a variety of structural configurations and undergo transitions between these states. A striking phenomenon is the isotropic-to-string transition observed in electrorheological complex plasma under the influence of a symmetric ion wake field. Such transitions have been investigated using the Plasma Kristall-4 (PK-4) microgravity laboratory on the International Space Station. Recent experiments and numerical simulations have shown that, under PK-4-relevant discharge conditions, the seemingly homogeneous direct current discharge column is highly inhomogeneous, with large axial electric field oscillations associated with ionization waves occurring on microsecond time scales. here, a multi-scale numerical model of the dust–plasma interactions is employed to investigate the role of the electric field in the charge of individual dust grains, the ion wake field and the order of string-like structures. Results are compared with those for dust strings formed in similar conditions in the PK-4 experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Traveling-Wave-Based Electrodynamic Switch for Concurrent Dual-Polarity Ion Manipulations in Structures for Lossless Ion Manipulations

In this work, we describe the development of a dual-polarity traveling-wave (TW) structures for lossless ion manipulations (SLIM) ion mobility spectrometry (IMS) device capable of switching both positive and negative ions that are traveling simultaneously along the same path to different regions of the SLIM. Through simulations, the routing efficiency of the SLIM TW switch was compared to a SLIM direct-current-based (DC) switch developed previously for IMS-MS. We also report on the initial experimental evaluation of a dual-polarity SLIM platform, which uses the TW-based ion switch to achieve higher resolution multipass serpentine ultralong path with extended routing (SUPER) IMS separations. Overall, these results show that the dual-polarity TW switch is not only as effective as DC switching in terms of routing efficiency but also is agnostic to the polarity of the ions being routed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Long-Range Antiferromagnetic Order in a Rocksalt High Entropy Oxide

We report for the first time the magnetic structure of the high entropy oxide (Mg 0.2 Co 0.2 Ni 0.2 Cu 0.2 Zn 0.2 )O using neutron powder diffraction. This material exhibits a sluggish magnetic transition but possesses a long-range ordered antiferromagnetic ground state, as revealed by direct current and alternating current magnetic susceptibility, neutron diffraction, and spectroscopy. The magnetic propagation wavevector is k = (1/2, 1/2, 1/2) based on the cubic structure $Fm\bar{3m}$, and the magnetic structure consists of ferromagnetic sheets in the (111) planes with spins antiparallel between two neighboring planes. Neutron spectroscopy reveals strong magnetic excitations at 100 K that survive up to room temperature. Furthermore this work demonstrates that entropy-stabilized oxides represent a unique platform to study long-range magnetic order with an extreme chemical disorder.

36 MATERIALS SCIENCE↗

Structural, Magnetic, and Optical Properties of A 3 V 4 (PO 4 ) 6 (A = Mg, Mn, Fe, Co, Ni)

Combined synchrotron and neutron powder diffraction indicates that A 3 V 4 (PO 4 ) 6 (A = Mg, Mn, Fe, Co, Ni) compounds crystallize with triclinic $P\bar{1}$ symmetry. Lattice parameters expand as expected with successive increases in the ionic radius of the A 2+ ion. Cation disorder on the octahedral sites increases as the ionic radii of A 2+ ion decreases. Direct-current magnetic susceptibility measurements indicate that all compounds with magnetic A 2+ ions order anti-ferromagnetically with transition temperatures ranging from 12 to 15 K. Effective magnetic moments for A 3 V 4 (PO 4 ) 6 (A = Mg, Mn, Fe, Co, Ni) are 5.16, 11.04, 10.08, 9.76, and 7.96 μ B per formula unit, respectively, in line with calculated values for high-spin transition metal ions. With the exception of Co 3 V 4 (PO 4 ) 6 the ultraviolet–visible spectra are dominated by d–d transitions of the V 3+ ions. Here, the striking emerald green color of Co 3 V 4 (PO 4 ) 6 arises from the combined effects of d–d transitions involving both V 3+ and Co 2+ .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bis( tert -butoxydiphenylsilyl)amide Divalent Lanthanide Complexes

The development of new ligand systems to stabilize “nontraditional/ non-classical” divalent lanthanides is key to tuning the chemical and physical properties of their mixed principal quantum number 4f n 5d 1 ground states. The design and study of novel ligand systems which stabilize occupation of differing orbitals within the 5d manifold for these ions constitutes an area ripe for exploration. Our efforts toward the development of redox-innocent bulky silylamide ligands to stabilize pseudo-octahedral coordination geometries for divalent lanthanides have resulted in the synthesis of the bis( tert -butoxydiphenylsilyl) amide ligand, whose coordination complexes with Sm 2+ , Eu 2+ , and Yb 2+ are reported herein. These systems have been fully characterized by single-crystal X-ray diffraction, elemental analysis, cyclic voltammetry, direct-current magnetometry, and infrared, nuclear magnetic resonance, and electronic absorption spectroscopies. Attempts to extend this system to the more reducing Tm 2+ ion resulted in an inseparable mixture of products from which crystals of the analogous Tm 2+ species and a reduced dinitrogen, bimetallic Tm 3+ -Tm 3+ complex bridged by a η 2 -N 2 3− radical could be identified. Though progress toward six-coordinate complexes of reducing “traditional/ classical” divalent ions is noted for these systems, further work is needed to improve the synthetic utility of this ligand framework for the study of “non-traditional/non-classical” divalent lanthanides with a mixed-principal quantum number 4f n 5d 1 ground state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Supramolecular Assembly of Molecular Rare-Earth–3,5-Dichlorobenzoic Acid–2,2':6',2"-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior

The syntheses and crystal structures of 16 new rare-earth (RE = La 3+ –Y 3+ )–3,5-dichlorobenzoic acid–terpyridine molecular materials characterized via single-crystal and powder X-ray diffraction are reported. These 16 complexes consist of four unique structure types ranging from molecular dimers (La 3+ and Ce 3+ ) to tetramers (Pr 3+ –Y 3+ ) as one moves across the RE 3+ series. This structural evolution is accompanied by subsequent changes in modes of supramolecular assembly (halogen bonding, halogen-π, halogen–halogen, and π–π interactions). Solid-state visible and near-infrared lifetime measurements were performed on complexes 6 (Sm 3+ ), 7 (Eu 3+ ), 9 (Tb 3+ ), 10 (Dy 3+ ), 11 (Ho 3+ ), 12 (Er 3+ ), and 14 (Yb 3+ ), and characteristic emission was observed for all complexes except 11. Lifetime data for 11, 12, and 14 suggest sensitization by the terpy antenna does occur in near-infrared systems, although not as efficiently as in the visible region. Additionally, direct current magnetic susceptibility measurements were taken for complexes 10 (Dy 3+ ) and 12 (Er 3+ ) and showed dominant ferromagnetic behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural Diversities in Heterometallic Mn–Ca Cluster Chemistry from the Use of Salicylhydroxamic Acid: {Mn III 4 Ca 2 }, {Mn II/III 6 Ca 2 }, {Mn III/IV 8 Ca}, and {Mn III 8 Ca 2 } Complexes with Relevance to Both High- and Low-Valent States of the Oxygen-Evolving Complex

We report that one-pot reactions between the [Mn 3 O(O 2 CPh) 6 (py) x ] +/o triangular precursors and either CaBr 2 ·xH 2 O or CaCl 2 ·6H 2 O, in the presence of salicylhydroxamic acid (shaH 2 ), have afforded the heterometallic complexes [MnIII 4 Ca 2 (O 2 CPh) 4 (shi) 4 (H 2 O) 3 (Me 2 CO)] ( 1 ) and (pyH)[Mn II 2 Mn III 4 Ca 2 Cl 2 (O 2 CPh) 7 (shi) 4 (py) 4 ] ( 2 ), respectively, in good yields. Further reactions but using a more flexible synthetic scheme comprising the Mn(NO 3 ) 2 · 4 H 2 O/Ca(NO 3 ) 2 · 4 H 2 O and Mn(O 2 CPh) 2 · 2 H 2 O/Ca(ClO 4 ) 2 · 4 H 2 O "metal blends" and shaH 2 , in the presence of external base NEt 3 , led to the new complexes (NHEt 3 ) 2 [Mn III 4 Mn IV 4 Ca(OEt) 2 (shi) 10 (EtOH) 2 ] ( 3 ) and (NHEt 3 ) 4 [Mn III 8 Ca 2 (CO 3 ) 4 (shi) 8 ] ( 4 ), respectively. In all reported compounds, the anion of the tetradentate (N,O,O,O)-chelating/bridging ligand salicylhydroxime (shi 3- ), resulting from the in situ metal-ion-assisted amide-iminol tautomerism of shaH 2 , was found to bridge both Mn and Ca atoms. Complexes 1-4 exhibit a variety of different structures, metal stoichiometries, and Mn oxidation-state descriptions; 1 possesses an overall octahedral metal arrangement, 2 can be described as a Mn 4 Ca 2 octahedron bound to an additional Mn 2 unit, 3 consists of a Mn 8 "ring" surrounding a Ca II atom, and 4 adopts a rectangular cuboidal motif of eight Mn atoms accommodating two CaIIatoms. Solid-state direct-current magnetic susceptibility studies revealed the presence of predominant antiferromagnetic exchange interactions between the Mn centers, leading to S = 0 spin ground-state values for all complexes. Lastly, from a bioinorganic chemistry perspective, the reported compounds may demonstrate some relevance to both high-valent scheme ( 3 ) and lower-oxidation-level species ( 1, 2, and 4 ) of the catalytic cycle of the oxygen-evolving complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Crystal Structure and Magnetic Behavior of Quinary Osmate and Ruthenate Double Perovskites La ABB 'O 6 ( A = Ca, Sr; B = Co, Ni; B ' = Ru, Os)

In this work, six LaABB'O 6 (A = Ca, Sr; B = Co, Ni; B' = Ru, Os) double perovskites were synthesized, several for the first time, and their crystal structures and magnetic behavior were characterized with neutron powder diffraction and direct-current and alternating-current magnetometry. All six compounds crystallize with P2 1 /n space group symmetry, resulting from a – a – c + octahedral tilting and complete rock salt ordering of transition-metal ions. Despite the electronic configurations of the transition-metal ions, either d 8 –d 3 or d 7 –d 3 , not one of the six compounds shows ferromagnetism as predicted by the Goodenough–Kanamori rules. LaSrNiOsO 6 , LaSrNiRuO 6 , and LaCaNiRuO 6 display long-range antiferromagnetic order, while LaCaNiOsO 6 , LaCaCoOsO 6 , and LaSrCoOsO 6 exhibit spin-glass behavior. These compounds are compared to the previously studied LaCaCoRuO 6 and LaSrCoRuO 6 , both of which order antiferromagnetically. Lastly, the observed variations in magnetic properties can be attributed largely to the response of competing superexchange pathways due to changes in B–O–B' bond angles, differences in the radial extent of the 4d (B' = Ru) and 5d (B' = Os) orbitals, and filling of the t 2g orbitals of the 3d ion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Charged Ferroelectric Domain Walls for Deterministic ac Signal Control at the Nanoscale

The direct current (dc) conductivity and emergent functionalities at ferroelectric domain walls are closely linked to the local polarization charges. Depending on the charge state, the walls can exhibit unusual dc conduction ranging from insulating to metallic-like, which is leveraged in domain-wall-based memory, multilevel data storage, and synaptic devices. In contrast to the functional dc behaviors at charged walls, their response to alternating currents (ac) remains to be resolved. Here, we reveal ac characteristics at positively and negatively charged walls in ErMnO 3 , distinctly different from the response of the surrounding domains. By combining voltage-dependent spectroscopic measurements on macroscopic and local scales, we demonstrate a pronounced nonlinear response at the electrode-wall junction, which correlates with the domain-wall charge state. The dependence on the ac drive voltage enables reversible switching between uni- and bipolar output signals, providing conceptually new opportunities for the application of charged walls as functional nanoelements in ac circuitry.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Colossal terahertz magnetoresistance at room temperature in epitaxial La 0.7 Sr 0.3 MnO 3 nanocomposites and single-phase thin films

Colossal magnetoresistance (CMR) is demonstrated at terahertz (THz) frequencies by using terahertz time-domain magnetospectroscopy to examine vertically aligned nanocomposites (VANs) and planar thin films of La 0.7 Sr 0.3 MnO 3 . At the Curie temperature (room temperature), the THz conductivity of the VAN was dramatically enhanced by over 2 orders of magnitude under the application of a magnetic field with a non-Drude THz conductivity that increased with frequency. The direct current (dc) CMR of the VAN is controlled by extrinsic magnetotransport mechanisms such as spin-polarized tunneling between nanograins. In contrast, we find that THz CMR is dominated by intrinsic, intragrain transport: the mean free path was smaller than the nanocolumn size, and the planar thin-film exhibited similar THz CMR to the VAN. Surprisingly, the observed colossal THz magnetoresistance suggests that the magnetoresistance can be large for alternating current motion on nanometer length scales, even when the magnetoresistance is negligible on the macroscopic length scales probed by dc transport. This suggests that colossal magnetoresistance at THz frequencies may find use in nanoelectronics and in THz optical components controlled by magnetic fields. As a result, the VAN can be scaled in thickness while retaining a high structural quality and offers a larger THz CMR at room temperature than the planar film.

36 MATERIALS SCIENCE↗