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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

On-demand nanoengineering of in-plane ferroelectric topologies

Hierarchical assemblies of ferroelectric nanodomains, so-called super-domains, can exhibit exotic morphologies that lead to distinct behaviours. Controlling these super-domains reliably is critical for realizing states with desired functional properties. Here we reveal the super-switching mechanism by using a biased atomic force microscopy tip, that is, the switching of the in-plane super-domains, of a model ferroelectric Pb 0.6 Sr 0.4 TiO 3 . We demonstrate that the writing process is dominated by a super-domain nucleation and stabilization process. A complex scanning-probe trajectory enables on-demand formation of intricate centre-divergent, centre-convergent and flux-closure polar structures. Correlative piezoresponse force microscopy and optical spectroscopy confirm the topological nature and tunability of the emergent structures. The precise and versatile nanolithography in a ferroic material and the stability of the generated structures, also validated by phase-field modelling, suggests potential for reliable multi-state nanodevice architectures and, thereby, an alternative route for the creation of tunable topological structures for applications in neuromorphic circuits.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Exotic Hadrons: A Subatomic Bestiary

Particle physicists study unfamiliar forms of matter – matter that hasn’t commonly existed in the cosmos since fractions of a second after the universe began. It has allowed scientists to dive down into an ever-decreasing set of size scales, from molecules, to atoms, to protons and neutrons, and even to quarks. The world of quarks can be a confusing one, but over the past couple decades, it has gotten even more complicated. Using powerful particle accelerators researchers have begun to create and study a truly new form of matter, one in which quarks are combined in unusual ways and one which will teach us some interesting new things about the strong nuclear force.

Lincoln, Don [Fermilab] (ORCID:0000000205997407)↗
DOE OSTI2025

Nanoscale modulation of flat bands via controllable charge density wave defects in 4⁢𝐻⁡𝑏−Ta⁢S 2

Electron correlation is a main driver of exotic quantum phases and their interplay. The 4H b-TaS 2 system, possessing an intrinsic heterostructure of 1T- and 1H -TaS 2 monolayers, offers a unique opportunity to control electron correlation by distorting the atomic lattice or tuning interlayer coupling. Here, we investigated intrinsically deformed charge-density waves (CDWs) in the 1T layer of 4H b-TaS 2 to elucidate and control their effects on flat bands using scanning tunneling microscopy and spectroscopy (STM/S) combined with first-principles calculations. We identified two types of CDW defects: Type 1 has structural distortion and locally suppressed flat bands, while Type 2 features an increased flat band filling factor of intact CDW structure. Density functional theory calculations indicate that a sulfur vacancy in the 1T layer distorts the CDW structure and gives rise to a Type 1, whereas a sulfur vacancy in the 1H layer reduces the interlayer charge transfer and leads to a Type 2. Furthermore, we demonstrated creating and erasing individual CDW defects via STM manipulation. Here, our findings provide a pathway to not only tune flat bands but also selectively manipulate the interaction between CDW, the atomic lattice, and interlayer coupling in strongly correlated systems with atomic precision.

Charge density waves↗
DOE OSTI2024

Quantifying magnetic field driven lattice distortions in kagome metals at the femto-scale using scanning tunneling microscopy

A wide array of unusual phenomena has recently been uncovered in kagome solids. The charge density wave (CDW) state in the kagome superconductor AV 3 Sb 5 , in particular, intrigued the community; the CDW phase appears to break the time-reversal symmetry despite the absence of spin magnetism, which has been tied to exotic orbital loop currents possibly intertwined with magnetic field tunable crystal distortions. To test this connection, precise determination of the lattice response to an applied magnetic field is crucial but can be challenging at the atomic scale. We establish a scanning tunneling microscopy (STM) based method to study the evolution of the AV 3 Sb 5 atomic structure as a function of magnetic field. The method substantially reduces the errors of typical STM measurements, which are at the order of 1% when measuring an in-plane lattice constant change. Here, we find that the out-of-plane lattice constant of AV 3 Sb 5 remains unchanged (within 10 —6 ) by the application of both in-plane and out-of-plane magnetic fields. We also reveal that the in-plane lattice response to magnetic field is at most at the order of 0.05%. Our experiments provide further constraints on time-reversal symmetry breaking in kagome metals and establish a tool for higher-resolution extraction of the field-lattice coupling at the nanoscale applicable to other quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Emerging edge states on the surface of the epitaxial semimetal CuMnAs thin film

Epitaxial thin films of CuMnAs have recently attracted attention due to their potential to host relativistic antiferromagnetic spintronics and exotic topological physics. Here, we report on the structural and electronic properties of a tetragonal CuMnAs thin film studied using scanning tunneling microscopy (STM) and density functional theory (DFT). STM reveals a surface terminated by As atoms, with the expected semi-metallic behavior. An unexpected zigzag step edge surface reconstruction is observed with emerging electronic states below the Fermi energy. DFT calculations indicate that the step edge reconstruction can be attributed to an As deficiency that results in changes in the density of states of the remaining As atoms at the step edge. Furthermore, this understanding of the surface structure and step edges on the CuMnAs thin film will enable in-depth studies of its topological properties and magnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Design of Dilute Palladium–Indium Alloy Catalysts for the Selective Hydrogenation of CO 2 to Methanol

Adding small amounts of a more reactive dopant metal to a more selective host metal is a well-known strategy for promoting the catalytic reactivity of the latter without sacrificing its selectivity. While substantial attention has been given to coinage metal hosts for activating individual C–H or O–H bonds, less attention has been given to more exotic metals, such as indium, which is highly selective in the complex hydrogenation of CO 2 to methanol. Herein, we describe the synthesis and properties of Pd–In alloys containing Pd in various states of aggregation (isolated atom, small clusters, and extended clusters) assessed through various characterization methods. These materials exhibit unique catalytic behaviors, with Pd promoting both the reaction rate and methanol selectivity in all cases, though its efficacy is highest when Pd is present in small clusters. Here, the inefficiency of high Pd loadings is due in part to losses in Pd accessibility, while the importance of aggregated vs isolated Pd is theorized to result from accelerated H 2 activation. Methods used to synthesize more conventional dilute-limit and single-atom alloy catalysts can, therefore, be extended to non-coinage metal hosts to promote and control more complex chemistries, though the roles of ensemble size may greatly differ.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dynamical criticality of spin-shear coupling in van der Waals antiferromagnets

Abstract The interplay between a multitude of electronic, spin, and lattice degrees of freedom underlies the complex phase diagrams of quantum materials. Layer stacking in van der Waals (vdW) heterostructures is responsible for exotic electronic and magnetic properties, which inspires stacking control of two-dimensional magnetism. Beyond the interplay between stacking order and interlayer magnetism, we discover a spin-shear coupling mechanism in which a subtle shear of the atomic layers can have a profound effect on the intralayer magnetic order in a family of vdW antiferromagnets. Using time-resolved X-ray diffraction and optical linear dichroism measurements, interlayer shear is identified as the primary structural degree of freedom that couples with magnetic order. The recovery times of both shear and magnetic order upon optical excitation diverge at the magnetic ordering temperature with the same critical exponent. The time-dependent Ginzburg-Landau theory shows that this concurrent critical slowing down arises from a linear coupling of the interlayer shear to the magnetic order, which is dictated by the broken mirror symmetry intrinsic to the monoclinic stacking. Our results highlight the importance of interlayer shear in ultrafast control of magnetic order via spin-mechanical coupling.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Photoionization of the Fe lons: Structure of the K-Edge

X-ray absorption and emission features arising from the inner-shell transitions in iron are of practical importance in astrophysics due to the Fe cosmic abundance and to the absence of traits from other elements in the nearby spectrum. As a result, the strengths and energies of such features can constrain the ionization stage, elemental abundance, and column density of the gas in the vicinity of the exotic cosmic objects, e.g. active galactic nuclei (AGN) and galactic black hole candidates. Although the observational technology in X-ray astronomy is still evolving and currently lacks high spectroscopic resolution, the astrophysical models have been based on atomic calculations that predict a sudden and high step-like increase of the cross section at the K-shell threshold (see for instance. New Breit-Pauli R-matrix calculations of the photoionization cross section of the ground states of Fe XVII in the region near the K threshold are presented. They strongly support the view that the previously assumed sharp edge behaviour is not correct. The latter has been caused by the neglect of spectator Auger channels in the decay of the resonances converging to the K threshold. These decay channels include the dominant KLL channels and give rise to constant widths (independent of n). As a consequence, these series display damped Lorentzian components that rapidly blend to impose continuity at threshold, thus reformatting the previously held picture of the edge. Apparent broadened iron edges detected in the spectra of AGN and galactic black hole candidates seem to indicate that these quantum effects may be at least partially responsible for the observed broadening.

Palmeri, P.↗
DOE OSTI2020

Exotic bonding interactions and coexistence of chemically distinct periodic lattice distortions in the charge density wave compound TaTe2

The superstructure of TaTe 2 is examined by total high-energy x-ray scattering and large-scale structure modeling over a broad temperature range. At room temperature, it features double zigzag chains of Ta atoms exhibiting metallic bonding. The chains are sandwiched between planes of weakly interacting Te atoms. Below 170 K, the chains appear broken to “butterflylike” clusters and single zigzag chains of covalently bonded Te atoms emerge while Ta-Te interactions remain largely ionic. This is a rare example of a charge density wave compound stabilized by bonding that is a mix of covalent, ionic, and metallic character giving rise to chemically distinct periodic lattice distortions. We argue that the formation of periodic lattice distortions in the Te sublattice in addition to those in the Ta sublattice favors charge delocalization, which may explain the unusually diminished resistivity and increased magnetic susceptibility exhibited by the low-temperature charge density wave phase of TaTe 2 . The effect may be common for 5d transition metal chalcogenides containing Te because of the extended electronic orbitals of the constituent atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Topological carbon materials: A new perspective

Carbon has numerous one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) allotropic structures. The study of carbon materials has long been a major focus of material sciences and condensed matter physics. Recently, a number of topological semi-metallic carbon allotropes with vastly different topological phases have been predicted from first-principles, showing exceptionally clean and robust topological properties near the Fermi surfaces. Here, we provide a brief summary of the development of carbon allotropes from 1D to 3D. Then, we discuss topological properties of pure carbon materials, despite their exceedingly small spin–orbit coupling. Instead, the nearest-neighbor p z orbit interaction has been identified as the origin for the non-trivial topological properties, which vary due to different p z connectivity: zigzag, armchair, or pentagonal, as well as the interactions among further neighboring atoms. Next, we consider possible expansions of the topological properties of carbon materials to other light-element materials such as boron. Finally, we discuss future prospects in light of experimental feasibility and the recent surge in pursue of exotic carbon physics due to twisted graphene, which may also be viewed as a subset of the topological physics involving sp 2 /p z carbon.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Magnetic oxygen in transition metal oxides: A case study of Ba 2 CoO 4

Transition metal oxides (TMOs) exhibit exotic magnetic properties in both naturally formed and artificially structured materials, often difficult to understand in conventional wisdom. Magnetic insulator Ba 2 CoO 4 has mystified the community, because the CoO 4 tetrahedron is completely isolated with the nearest Co atoms far apart (~5 Å), making it impossible to account for long-range magnetic ordering seen experimentally using only Co. By theoretically investigating magnetism and relating our findings to experimental observations in bulk Ba 2 CoO 4 , we illustrate for the first time that the magnetic moment on oxygen atoms are the origin of the unexpected long-range magnetic ordering and low magnetic dimensionality. We find that the magnetic moment is not only localized on Co atoms, as assumed in all conventional data analysis, but also distributed on its tetrahedrally-coordinated O atoms. The total magnetic moment of the CoO 4 building block is 4.63μ B with the magnetic moment on Co being only 3.08μ B . Therefore, the magnetic building block is CoO 4 not Co. Furthermore, our first principles calculations are capable of explaining the origin of the unique magnetic response, including the presence of long-range magnetic ordering with two-dimensional character, and a one-dimensional magnetoelastic behavior. Having oxygen contribute to the magnetic moment will undoubtedly be identified as a universal property of magnetic TMOs, which will require a fresh look at conventional models of magnetism in TMOs.

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

Epitaxial stabilization of thin films of the frustrated Ge-based spinels

Frustrated magnets can host numerous exotic many-body quantum and topological phenomena. GeNi 2 O 4 is a three-dimensional S=1 frustrated magnet with an unusual two-stage transition to the two-dimensional antiferromagnetic ground state, while GeCu 2 O 4 is a high-pressure phase with a strongly tetragonally elongated spinel structure and magnetic lattice formed by S=1/2 CuO 2 linear chains with frustrated interchain exchange interactions and exotic magnetic behavior. Here, we report on the thin-film epitaxial stabilization of these two compounds. The developed growth mode, surface morphology, crystal structure, and copper valence state were characterized by in situ reflection high-energy electron diffraction, atomic force microscopy, x-ray reflectivity, x-ray diffraction, x-ray photoelectron spectroscopy, and resonant x-ray absorption spectroscopy. Our results pave an alternative route to the comprehensive investigation of the puzzling magnetic properties of these compounds and the exploration of emergent features driven by strain.

36 MATERIALS SCIENCE↗
NASA NTRS2005

Vacuum Attachment for XRF Scanner

Vacuum apparatuses have been developed for increasing the range of elements that can be identified by use of x-ray fluorescent (XRF) scanners of the type mentioned in the two immediately preceding articles. As a consequence of the underlying physical principles, in the presence of air, such an XRF scanner is limited to analysis of chlorine and elements of greater atomic number. When the XRF scanner is operated in a vacuum, it extends the range of analysis to lower atomic numbers - even as far as aluminum and sodium. Hence, more elements will be available for use in XRF labeling of objects as discussed in the two preceding articles. The added benefits of the extended capabilities also have other uses for NASA. Detection of elements of low atomic number is of high interest to the aerospace community. High-strength aluminum alloys will be easily analyzed for composition. Silicon, a major contaminant in certain processes, will be detectable before the process is begun, possibly eliminating weld or adhesion problems. Exotic alloys will be evaluated for composition prior to being placed in service where lives depend on them. And in the less glamorous applications, such as bolts and fasteners, substandard products and counterfeit items will be evaluated at the receiving function and never allowed to enter the operation

Schramm, Harry F.↗
DOE OSTI2021

Twisted van der Waals Josephson Junction Based on a High-T c Superconductor

Stacking two-dimensional van der Waals (vdW) materials rotated with respect to each other show versatility for studying exotic quantum phenomena. In particular, anisotropic layered materials have great potential for such twistronics applications, providing high tunability. In this work, we report anisotropic superconducting order parameters in twisted Bi 2 Sr 2 CaCu 2 O 8+x (Bi-2212) vdW junctions with an atomically clean vdW interface, achieved using the microcleave-and-stack technique. The vdW junctions with twist angles of 0° and 90° showed the maximum Josephson coupling, comparable to that of intrinsic Josephson junctions. As the twist angle approaches 45°, Josephson coupling is suppressed, and eventually disappears at 45°. The observed twist angle dependence of the Josephson coupling can be explained quantitatively by theoretical calculation with the d-wave superconducting order parameter of Bi-2212 and finite tunneling incoherence of the junction. Our results revealed the anisotropic nature of Bi-2212 and provided a novel fabrication technique for vdW-based twistronics platforms compatible with air-sensitive vdW materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Non-Fermi Liquids from Kinetic Constraints in Tilted Optical Lattices

Here we study Fermi-Hubbard models with kinetically constrained dynamics that conserves both total particle number and total center of mass, a situation that arises when interacting fermions are placed in strongly tilted optical lattices. Through a combination of analytics and numerics, we show how the kinetic constraints stabilize an exotic non-Fermi liquid phase described by fermions coupled to a gapless bosonic field, which in several respects mimics a dynamical gauge field. This offers a novel route towards the study of non-Fermi liquid phases in the precision environments afforded by ultracold atom platforms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Electrospraying deposition and characterization of potassium chloride targets for nuclear science measurements

Natural and isotopically enriched KCl targets were prepared using specially formulated KCl solutions, deposited by electrospraying on thin (1.5 μm) gold backings, followed by a short annealing in a preheated (350-450 °C) furnace. Various techniques, such as X-ray fluorescence (XRF), scanning electron microscopy (SEM) imaging, and energy-dispersive X-ray spectroscopy (EDS), were used to characterize the produced targets. A white neutron beam at the Los Alamos Neutron Science Center (LANSCE) facility was also used to verify the estimated atomic percentages of the enriched 40 KCl targets. KCl was deposited relatively uniformly as large particles rather than films on the gold surface. As a result, this method can be broadly extended to make stable targets that are difficult to produce with other methods and more exotic radioactive targets required for research in fundamental sciences and applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1975

Major and trace element chemistry of Boulder 1 at Station 2, Apollo 17

Twenty-seven samples from Boulder 1 at Station 2 are analyzed for major and trace elements by atomic absorption spectrophotometry and neutron activation analysis. Two types of matrix and several types of clast materials are characterized on the basis of their chemistry. It is shown that one matrix type is a common material at the Apollo 17 site, while the other is probably exotic to that site. The most unusual clast materials found are coarse norite (an old rock no longer found in millimeter fragments at the site) and pigeonite basalt (possibly a highland volcanic rock). It is concluded that the boulder-forming process combined materials from at least two different localities or vertical strata.

Blanchard, D. P.↗
DOE OSTI2021

Nuclear Physics Multimessenger Astrophysics Constraints on the Neutron Star Equation of State: Adding NICER’s PSR J0740+6620 Measurement

In the past few years, new observations of neutron stars (NSs) and NS mergers have provided a wealth of data that allow one to constrain the equation of state (EOS) of nuclear matter at densities above nuclear saturation density. However, most observations were based on NSs with masses of about 1.4 M ⊙ , probing densities up to ~three to four times the nuclear saturation density. Even higher densities are probed inside massive NSs such as PSR J0740+6620. Very recently, new radio observations provided an update to the mass estimate for PSR J0740+6620, and X-ray observations by the NICER and XMM telescopes constrained its radius. Based on these new measurements, we revisit our previous nuclear physics multimessenger astrophysics constraints and derive updated constraints on the EOS describing the NS interior. By combining astrophysical observations of two radio pulsars, two NICER measurements, the two gravitational-wave detections GW170817 and GW190425, detailed modeling of the kilonova AT 2017gfo, and the gamma-ray burst GRB 170817A, we are able to estimate the radius of a typical 1.4 M ⊙ NS to be ${11.94}_{-0.87}^{+0.76}\,\mathrm{km}$ at 90% confidence. Finally, our analysis allows us to revisit the upper bound on the maximum mass of NSs and disfavors the presence of a strong first-order phase transition from nuclear matter to exotic forms of matter, such as quark matter, inside NSs.

60 APPLIED LIFE SCIENCES↗