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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 127 records · Page 7

The OSIRIS-REx Sample Return Capsule re-entry: A coordinated seismo-acoustic observational campaign for the study of meteor phenomena

Objects entering Earth’s atmosphere at hypersonic velocities may generate powerful acoustic waves. Depending on atmospheric conditions and acoustic propagation paths, they may be captured using ground or balloon-borne microbarometers and microphones. Impacts into the Earth’s atmosphere by asteroids in a meter-size range are sporadic and unannounced, and thus, well-documented scientific observations of asteroids are rare and generally happen by chance. Arriving from interplanetary space at hypervelocity, spacecraft are considered analogues for low velocity meteoroids and asteroids impacting the Earth’s atmosphere, and as such provide unprecedented and unique opportunity to carry out planned observational campaigns and perform detailed studies of meteor phenomena. However, since the end of the Apollo era, only four instances of a hypersonic re-entry of an artificial body from interplanetary space with an incident speed of 11-12 km/s have been observed and studied. These were the Sample Return Capsules (SRCs) that brought physical samples of extraterrestrial material back to Earth (Genesis, Stardust, Hayabusa 1, Hayabusa 2). These re-entries were also detected by infrasound and/or seismic sensors. The next opportunity to observe an artificial meteor will be on 24 September 2023 with the re-entry of NASA’s OSIRIS-REx SRC that will bring samples of the carbonaceous near-Earth asteroid Bennu. The re-entry consists of several flight phases, including hypersonic and supersonic, providing a unique opportunity to observe these by infrasound and seismic sensors. We will discuss observational campaign efforts aimed to capture geophysical signals generated by the OSIRIS-REx SRC re-entry. This campaign utilizes an unparalleled number of instruments, both ground and airborne, strategically positioned in the immediate and extended region around the projected re-entry trajectory to maximize the scientific output.

47 - OTHER INSTRUMENTATION↗

Quantum Noise Spectroscopy of Dynamical Critical Phenomena

The transition between distinct phases of matter is characterized by the nature of fluctuations near the critical point. We demonstrate that noise spectroscopy can not only diagnose the presence of a phase transition, but can also determine fundamental properties of its criticality. In particular, by analyzing a scaling collapse of the decoherence profile, one can directly extract the critical exponents of the transition and identify its universality class. Our approach naturally captures the presence of conservation laws and distinguishes between classical and quantum phase transitions. In the context of quantum magnetism, our proposal complements existing techniques and provides a novel toolset optimized for interrogating two-dimensional magnetic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Understanding and Strategies for Controlled Interfacial Phenomena in Lithium-Ion Batteries and Beyond

Electrolyte chemistry and properties and electrode structure and chemical properties particularly at the interfaces are crucial for the development of advanced battery components. This project focused on elucidating the roles of the electrolyte and electrode on the formation and evolution of the SEI layer and cell electrochemical performance on silicon and on Li metal anodes. For Si nano/microstructures we evaluated lithiation, volume changes, reactivity, and chemo-mechanical transformations as functions of nanoparticle size, shape, presence of coatings, electrolyte composition, electron leakage to the electrolyte, and cycling. For Li metal anodes we provided detailed analyses of the electrode and electrolyte effects on interfacial reactivity and as a function of microstructural evolution and underlying stochasticity as dendrites nucleate and grow. We thoroughly investigated and simulated how the chemistry of the various components of the electrolyte and the electrode architecture may affect the electrochemical reactions as well as cell degradation. A multiscale modeling approach was utilized, where atomistic simulations informed about the microscopic behavior of the system, and intermediate time and length scales were investigated with mesoscopic models. Results were also tested against selected experiments from our collaborators. The combined theoretical-experimental strategy saves costs by utilizing predictions from computational analyses to guide experimentation.

25 ENERGY STORAGE↗

Visualizing Tailored Spin Phenomena in a Reduced‐Dimensional Topological Superlattice

Abstract Emergent topological insulators (TIs) and their design are in high demand for manipulating and transmitting spin information toward ultralow‐power‐consumption spintronic applications. Here, distinct topological states with tailored spin properties can be achieved in a single reduced‐dimensional TI‐superlattice, (Bi 2 /Bi 2 Se 3 )‐(Bi 2 /Bi 2 Se 3 ) N or (□/Bi 2 Se 3 )‐(Bi 2 /Bi 2 Se 3 ) N ( N is the repeating unit, □ represents an empty layer) by controlling the termination via molecular beam epitaxy. The Bi 2 ‐terminated superlattice exhibits a single Dirac cone with a spin momentum splitting ≈0.5 Å −1 , producing a pronounced inverse Edelstein effect with a coherence length up to 1.26 nm. In contrast, the Bi 2 Se 3 ‐terminated superlattice is identified as a dual TI protected by coexisting time reversal and mirror symmetries, showing an unexpectedly long spin lifetime up to 1 ns. The work elucidates the key role of dimensionality and dual topological phases in selecting desired spin properties, suggesting a promise route for engineering topological superlattices for high‐performance TI‐spintronic devices.

Sun, Rui↗

Emergent Degradation Phenomena Demonstrated on Resilient, Flexible, and Scalable Integrated Photoelectrochemical Cells

Photoelectrochemical (PEC) water splitting provides a pathway to generate sustainable clean fuels using the two most abundant resources on Earth: sunlight and water. Currently, most of the successful models of PEC cells are still fabricated on small scales near 1 cm 2 , which largely limits the mass deployment of solar-fuel production. Here, the scale-up to 8 cm 2 of an integrated PEC (IPEC) device is demonstrated and its performance compared to a 1 cm 2 IPEC cell, using state-of-the-art iridium and platinum catalysts with III–V photoabsorbers. The initial photocurrents at 1 sun are 8 and 7 mA cm -2 with degradation rates of 0.60 and 0.47 mA cm -2 day -1 , during unbiased operation for the 1 and 8 cm 2 devices, respectively. Additionally, evaluating under outdoor and indoor conditions at two U.S. National Laboratories reveals similar results, evidencing the reproducibility of this design's performance. Furthermore, the emerging degradation mechanisms during scale-up are investigated and the knowledge gained from this work will provide feedback to the broader community, since PEC device durability is a limiting factor in its potential future deployment.

25 ENERGY STORAGE↗

Water Splitting: Emergent Degradation Phenomena Demonstrated on Resilient, Flexible, and Scalable Integrated Photoelectrochemical Cells (Adv. Energy Mater. 48/2020)

We report Photoelectrochemical (PEC) water splitting provides a pathway to generate sustainable clean fuels using the two most abundant resources on Earth: sunlight and water. Currently, most of the successful models of PEC cells are still fabricated on small scales near 1 cm 2 , which largely limits the mass deployment of solar-fuel production. Here, the scale-up to 8 cm 2 of an integrated PEC (IPEC) device is demonstrated and its performance compared to a 1 cm 2 IPEC cell, using state-of-the-art iridium and platinum catalysts with III-V photoabsorbers. The initial photocurrents at 1 sun were 8 and 7 mA cm -2 with degradation rates of 0.60 and 0.47 mA cm -2 day -1 , during unbiased operation for the 1 and 8 cm 2 devices, respectively. Evaluating under outdoor and indoor conditions at two US National Laboratories revealed similar results, evidencing the reproducibility of this design’s performance. Furthermore, the emerging degradation mechanisms during scale-up are investigated and the knowledge gained from this work will provide feedback to the broader community, since PEC device durability is a limiting factor in its potential future deployment.

25 ENERGY STORAGE↗

Operando NRIXS and XAFS Investigation of Segregation Phenomena in Fe-Cu and Fe-Ag Nanoparticle Catalysts during CO 2 Electroreduction

Operando nuclear resonant inelastic X-ray scattering (NRIXS) and X-ray absorption fine-structure spectroscopy (XAFS) measurements were used to gain insight into the structure and surface composition of FeCu and FeAg nanoparticles (NPs) during the electrochemical CO 2 reduction (CO 2 RR) and to extract correlations with their catalytic activity and selectivity. The formation of a core–shell structure during CO 2 RR for FeAg NPs was inferred from the analysis of the operando NRIXS data (phonon density of states, PDOS) and XAFS measurements. Electrochemical analysis of the FeAg NPs revealed a faradaic selectivity of 36 % for CO in 0.1 M KHCO 3 at -1.1 V vs. RHE, similar to that of pure Ag NPs. In contrast, a predominant selectivity towards H 2 evolution is obtained in the case of the FeCu NPs, analogous to the results obtained for pure Fe NPs, although small Cu NPs have also been shown to favor H 2 production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Nanosized {Ni II 18 } Cluster with a ‘Flying Saucer’ Topology Exhibiting Slow Relaxation of Magnetisation Phenomena at Both 15 K and 1.3 K

A high-nuclearity {Ni 18 } complex (1) with a unique ‘flying saucer’ motif has been prepared from the organic chelate, α-methyl-2-pyridine-methanol (mpmH), in conjunction with bridging azido (N 3 - ) and peroxido (O 2 2- ) ligands. Magnetic susceptibility measurements revealed the presence of both ferro- and antiferromagnetic exchange interactions between the metal centres in 1, and the stabilization of spin states with appreciable S values at two different temperature regimes. The end-on bridging azido and alkoxido groups are in all likelihood the ferromagnetic mediators, while the η 3 :η 3 :μ 6 -bridging peroxides most likely promote the antiparallel alignment of the metals’ spin vectors, yielding an overall non-zero spin ground state for the centrosymmetric compound 1. Furthermore, the {Ni 18 } nanosized cluster behaves as a single-molecule magnet, exhibiting magnetic hysteresis at low temperatures and two relaxation processes at 15 K and 1.3 K, a very rare phenomenon in polynuclear magnetic 3d-metal clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Growth Phenomena and Bandgap Shift in Melt-Grown β-(In x Ga 1- x ) 2 O 3 Alloys

β-Ga 2 O 3 is an emerging ultra-wide bandgap semiconductor with great promise for power electronics and optoelectronics. Alloys in the In 2 O 3 -Ga 2 O 3 system are interesting for optoelectronic applications, particularly where bandgap tuning is desirable. Herein, β-(In x Ga 1- x ) 2 O 3 alloys with target compositions x = 0.025 or 0.10 are grown from the melt using the Czochralski and vertical gradient freeze techniques. Growth with 10 mol% In yields only small, needle-like crystals, while 2.5 mol% In allows growth of centimeter-sized single crystals. A substantial degree of indium segregation is unveiled by spatial measurements of lattice parameters and the bandgap. The bandgap decreases by a maximum of 0.28 eV in the case of the highest In content crystals. Z-contrast transmission electron microscopy confirms a solely octahedral coordination of In in the β-Ga 2 O 3 lattice. With indium concentrations higher than 2.5 mol%, samples contain micron-scale voids that impart a dark coloration. All measured crystals are electrically conductive, with carrier concentrations varying 10 16 –10 17 cm -3 depending upon the location of the sample in the growth. Lastly, a unique luminescence with unknown origin centered around 2.0 eV is revealed by photoluminescence spectroscopy.

36 MATERIALS SCIENCE↗

Reconfiguration of Amorphous Complex Oxides: A Route to a Broad Range of Assembly Phenomena, Hybrid Materials, and Novel Functionalities

This work demonstrate that reconfiguration of amorphous oxide layers drives the assembly of oxide-based and freestanding nanomembranes into 3D structures with a radius of a few hundred nanometers. Reconfiguration-driven assembly is a versatile approach to impart large strains and strain gradients in a broad palette of complex oxides. This capability allows for manipulating and enhancing ferroelectricity, flexoelectricity, piezoelectricity, superconductivity, and ferromagnetism in complex oxides. Moreover, by the approach presented in this work, strain-engineered oxides are obtained in the form of 3D structures that can be fabricated in parallel on any substrate, including large-area and single crystalline semiconductor substrates. This approach will create a vast expanse of possibilities to investigate and leverage strain-tunable effects in amorphous, poly-crystalline, and single-crystalline complex oxides. Reconfiguration-driven assembly of NMs also allows combining different materials in a radial geometry and through scalable processes. For example, radial superlattices of Si (or GaAs) and various complex oxides or alternating layers of different complex oxides (e.g., SrTiO 3 and LaAlO 3 ) could be fabricated by release and heating of bilayer NMs. Here, a broad palette of electronic band structures and spin–orbit interactions could then be obtained by tailoring the curvature of the self-assembled NMs and the materials that the heterostructure comprises.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Chemical transformations and transport phenomena at interfaces

Abstract Interfaces, the boundary that separates two or more chemical compositions and/or phases of matter, alters basic chemical and physical properties including the thermodynamics of selectivity, transition states, and pathways of chemical reactions, nucleation events and phase growth, and kinetic barriers and mechanisms for mass transport and heat transport. While progress has been made in advancing more interface‐sensitive experimental approaches, their interpretation requires new theoretical methods and models that in turn can further elaborate on the microscopic physics that make interfacial chemistry so unique compared to the bulk phase. In this review, we describe some of the most recent theoretical efforts in modeling interfaces, and what has been learned about the transport and chemical transformations that occur at the air–liquid and solid–liquid interfaces. This article is categorized under: Structure and Mechanism > Reaction Mechanisms and Catalysis Structure and Mechanism > Computational Materials Science Software > Quantum Chemistry Software > Simulation Methods

Hao, Hongxia↗

Search for new phenomena in events with two opposite-charge leptons, jets and missing transverse momentum in pp collisions at $ \sqrt{\mathrm{s}} $ = 13 TeV with the ATLAS detector

The results of a search for direct pair production of top squarks and for dark matter in events with two opposite-charge leptons (electrons or muons), jets and missing transverse momentum are reported, using 139 fb –1 of integrated luminosity from proton-proton collisions at √s = 13 TeV, collected by the ATLAS detector at the Large Hadron Collider during Run 2 (2015–2018). This search considers the pair production of top squarks and is sensitive across a wide range of mass differences between the top squark and the lightest neutralino. Additionally, spin-0 mediator dark-matter models are considered, in which the mediator is produced in association with a pair of top quarks. The mediator subsequently decays to a pair of dark-matter particles. No significant excess of events is observed above the Standard Model background, and limits are set at 95% confidence level. The results exclude top squark masses up to about 1 TeV, and masses of the lightest neutralino up to about 500 GeV. Limits on dark-matter production are set for scalar (pseudoscalar) mediator masses up to about 250 (300) GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for resonant and nonresonant new phenomena in high-mass dilepton final states at $\sqrt{s}$ = 13 TeV

A search is presented for physics beyond the standard model (SM) using electron or muon pairs with high invariant mass. A data set of proton-proton collisions collected by the CMS experiment at the LHC at √s = 13 TeV from 2016 to 2018 corresponding to a total integrated luminosity of up to 140 fb -1 is analyzed. No significant deviation is observed with respect to the SM background expectations. Upper limits are presented on the ratio of the product of the production cross section and the branching fraction to dileptons of a new narrow resonance to that of the Z boson. These provide the most stringent lower limits to date on the masses for various spin-1 particles, spin-2 gravitons in the Randall-Sundrum model, as well as spin-1 mediators between the SM and dark matter particles. Lower limits on the ultraviolet cutoff parameter are set both for four-fermion contact interactions and for the Arkani-Hamed, Dimopoulos, and Dvali model with large extra dimensions. Lepton flavor universality is tested at the TeV scale for the first time by comparing the dimuon and dielectron mass spectra. No significant deviation from the SM expectation of unity is observed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for new phenomena in multi-body invariant masses in events with at least one isolated lepton and two jets using $\sqrt{s}$ = 13 TeV proton–proton collision data collected by the ATLAS detector

A search for resonances in events with at least one isolated lepton (e or μ ) and two jets is performed using 139 fb -1 of $\sqrt{s}$ = 13 TeV proton–proton collision data recorded by the ATLAS detector at the LHC. Deviations from a smoothly falling background hypothesis are tested in three- and four-body invariant mass distributions constructed from leptons and jets, including jets identified as originating from bottom quarks. Model-independent limits on generic resonances characterised by cascade decays of particles leading to multiple jets and leptons in the final state are presented. The limits are calculated using Gaussian shapes with different widths for the invariant masses. The multi-body invariant masses are also used to set 95% confidence level upper limits on the cross-section times branching ratios for the production and subsequent decay of resonances predicted by several new physics scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for new phenomena in final states with large jet multiplicities and missing transverse momentum using $\sqrt{s}$ = 13 TeV proton-proton collisions recorded by ATLAS in Run 2 of the LHC

Results of a search for new particles decaying into eight or more jets and moderate missing transverse momentum are presented. The analysis uses 139 fb - 1 of proton-proton collision data at s = 13 TeV collected by the ATLAS experiment at the Large Hadron Collider between 2015 and 2018. The selection rejects events containing isolated electrons or muons, and makes requirements according to the number of b -tagged jets and the scalar sum of masses of large-radius jets. The search extends previous analyses both in using a larger dataset and by employing improved jet and missing transverse momentum reconstruction methods which more cleanly separate signal from background processes. No evidence for physics beyond the Standard Model is found. The results are interpreted in the context of supersymmetry-inspired simplified models, significantly extending the limits on the gluino mass in those models. In particular, limits on the gluino mass are set at 2 TeV when the lightest neutralino is nearly massless in a model assuming a two-step cascade decay via the lightest chargino and second-lightest neutralino.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for new non-resonant phenomena in high-mass dilepton final states with the ATLAS detector

A search for new physics with non-resonant signals in dielectron and dimuon final states in the mass range above 2 TeV is presented. This is the first search for non-resonant signals in dilepton final states at the LHC to use a background estimate from the data. The data, corresponding to an integrated luminosity of 139 fb –1 , were recorded by the ATLAS experiment in proton-proton collisions at a center-of-mass energy of √s = 13 TeV during Run 2 of the Large Hadron Collider. The benchmark signal signature is a two-quark and two-lepton contact interaction, which would enhance the dilepton event rate at the TeV mass scale. To model the contribution from background processes a functional form is fit to the dilepton invariant-mass spectra in data in a mass region below the region of interest. It is then extrapolated to a high-mass signal region to obtain the expected background there. No significant deviation from the expected background is observed in the data. Upper limits at 95% CL on the number of events and the visible cross-section times branching fraction for processes involving new physics are provided. Observed (expected) 95% CL lower limits on the contact interaction energy scale reach 35.8 (37.6) TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Transient phenomena in the axion assisted Schwinger effect

Particle production induced by a time-dependent background is well understood as the projection of the time-evolved initial state onto a set of final states. While the asymptotic initial and final states are well defined in the usual way, the definition of particles and antiparticles at intermediate times in the presence of external fields is ambiguous. These external fields moreover induce divergences which require regularization. In this paper we clarify some subtleties in the computation of transient effects in physical quantities for fermions in a homogeneous axion background, including Schwinger production in background electromagnetic fields. The presence of the axion requires particular care as well as knowledge of the UV theory when regulating the theory and computing the vacuum contribution to the fermion energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗