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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Effect of chemical pressure on the crystal electric field states of erbium pyrochlore magnets

We have carried out a systematic study of the crystal electric field excitations in the family of cubic pyrochlores Er 2 B 2 O 7 with B=Ge, Ti, Pt, and Sn, using neutron spectroscopy. All members of this family are magnetic insulators based on 4f 11 Er 3+ and nonmagnetic B 4+ . At sufficiently low temperatures, long-range antiferromagnetic order is observed in each of these Er 2 B 2 O 7 pyrochlores. The different ionic sizes associated with different nonmagnetic B 4+ cations correspond to positive or negative chemical pressure, depending on the relative contraction or expansion of the crystal lattice, which gives rise to different local environments at the Er 3+ site. Our results show that the g-tensor components are XY-like for all four members of the Er 2 B 2 O 7 series. However, the XY anisotropy is much stronger for Er 2 Pt 2 O 7 and Er 2 Sn 2 O 7 (g⊥/gz>25) than for Er 2 Ge 2 O 7 and Er 2 Ti 2 O 7 (g⊥/gz<4). The variation in the nature of the XY anisotropy in these systems correlates strongly with their ground states as Er 2 Ge 2 O 7 and Er 2 Ti 2 O 7 order into Γ 5 magnetic structures, whereas Er 2 Pt 2 O 7 and Er 2 Sn 2 O 7 order in the Γ 7 Palmer-Chalker structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions

A series of mixed-anion copper chalcogenides have been prepared using solid-state methods including ACu 4.2 TeS 2 (A = K, Rb, Cs), which adopt the KCu 4 S 3 structure type. The mixedanion motif has an expanded sublattice, relative to KCu 4 S 3 , that can accommodate additional Cu atoms at its interstitial sites that are unoccupied in the parent structure. The variable temperature transport shows that the materials are p-type metals with carrier densities on the order of 10 21 cm -3 and room-temperature electrical conductivity as high as 4000 S cm -1 . Band structures calculated using density functional theory corroborate the experimental data and indicate that the interstitial Cu atoms lower the carrier concentration and increase the Fermi level of the materials. The layered structure has Te and S atoms occupying unique sites within the ACu 4.2 TeS 2 structure, where relatively hard S 2- anions prefer Wyckoff positions where they can form energetically favorable acid-base interactions with hard alkali cations. The phenomenon is observed in the related K 3 Cu 8 Te 2 S 4 system, which also has a fully ordered layered structure. Here, we believe that the report provides new chemical guidelines for targeting ordered multianion structures, as well as a unique method for tuning the electronic properties of metallic chalcogenides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Lithospheric structure in the Pacific geoid

The high degree and order SEASAT geoid in the central Pacific correlates closely with the structure of the cooling lithosphere. Relative changes in plate age across major fracture zones in relatively young seafloor frame the east-west trending pattern formed by the geoid anomalies. The field removal in bathymetry corresponds to removal of some of the low degree and order geoidal components, the step like structure across fracture zones is also removed. The regional thermal subsidence was removed from the bathymetry by subtracting a mean subsidence surface from the observed bathymetry. This produces a residual bathymetry map analogous to the usual residual depth anomaly maps. The residual bathymetry obtained in this way contains shallow depths for young seafloor, and larger depths for older seafloor, thus retaining the structure of the lithosphere while removing the subsidence of the lithosphere.

Marsh, B. D.↗
DOE OSTI2023

Mechanical responses of architected boron carbide-aluminum lattice composites fabricated via reactive metallic infiltration of hierarchical pore structures

The incorporation of micro and nanoscale constituents in a hierarchical order improves mechanical properties of bulk structures while inducing controlled deformation. However, these features have seldomly been applied to the fabrication of cermet materials due to manufacturing constraints. Here, overcoming previous limitations, boron carbide cermets with embedded aluminum lattices were produced using a combination of additive manufacturing and gelcasting techniques. Kelvin cell and octet truss scaffolds were printed, cast and burned out so the negative volume could be infiltrated with metal to form an architected cermet. Computed microtomography scans reveal full aluminum infiltration of the volume with high fidelity to the target architecture. Equibiaxial flexural tests showed localized crack propagation in lattice-reinforced cermets and that samples with imbedded architecture required nearly double the energy for complete failure. Overall, the addition of an internal aluminum lattice limits abrupt fracture of the composite and provides a method for tuning its mechanical response with architected ratios of metal to ceramic.

36 MATERIALS SCIENCE↗
NASA NTRS1992

The optimization of force inputs for active structural acoustic control using a neural network

This paper investigates the use of a neural network to determine which force actuators, of a multi-actuator array, are best activated in order to achieve structural-acoustic control. The concept is demonstrated using a cylinder/cavity model on which the control forces, produced by piezoelectric actuators, are applied with the objective of reducing the interior noise. A two-layer neural network is employed and the back propagation solution is compared with the results calculated by a conventional, least-squares optimization analysis. The ability of the neural network to accurately and efficiently control actuator activation for interior noise reduction is demonstrated.

Cabell, R. H.↗
DOE OSTI2018

Absorption of Ultrashort Laser Pulses by Diatomic Molecules

The absorption of ultrashort laser pulses by diatomic CO and HF molecules is studied theoretically. The probability of absorption in the total pulse action time and its dependence on the pulse duration and carrier frequency are calculated. In contrast to atomic systems, where the finite pulse duration effects are noticeable on time scales of the order of femtoseconds, these effects in molecular structures manifest themselves on time scales of the order of picoseconds. In this case, the vibrational–rotational structure of molecular transitions plays a significant role. The results of our calculations of the vibrational–rotational spectra for the absorption of ultrashort laser pulses by diatomic CO and HF molecules are presented. The transition from the nonlinear dependence of the absorption probability for short pulse durations to the standard dependence at long pulse durations corresponding to the transition probabilities per unit time is investigated.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Solvent-Dependent Dynamics of Cellulose Nanocrystals in Process-Relevant Flow Fields

Flow-assisted alignment of anisotropic nanoparticles is a promising route for the bottom-up assembly of advanced materials with tunable properties. While aligning processes could be optimized by controlling factors such as solvent viscosity, flow deformation, and the structure of the particles themselves, it is necessary to understand the relationship between these factors and their effect on the final orientation. In this study, we investigated the flow of surface-charged cellulose nanocrystals (CNCs) with the shape of a rigid rod dispersed in water and propylene glycol (PG) in an isotropic tactoid state. In situ scanning small-angle X-ray scattering (SAXS) and rheo-optical flow-stop experiments were used to quantify the dynamics, orientation, and structure of the assigned system at the nanometer scale. The effects of both shear and extensional flow fields were revealed in a single experiment by using a flow-focusing channel geometry, which was used as a model flow for nanomaterial assembly. Due to the higher solvent viscosity, CNCs in PG showed much slower Brownian dynamics than CNCs in water and thus could be aligned at lower deformation rates. Moreover, CNCs in PG also formed a characteristic tactoid structure but with less ordering than CNCs in water owing to weaker electrostatic interactions. The results indicate that CNCs in water stay assembled in the mesoscale structure at moderate deformation rates but are broken up at higher flow rates, enhancing rotary diffusion and leading to lower overall alignment. Albeit being a study of cellulose nanoparticles, the fundamental interplay between imposed flow fields, Brownian motion, and electrostatic interactions likely apply to many other anisotropic colloidal systems.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Trailing edge noise

Shadowgraphic observations of the flow structure of a wall jet downstream of the trailing edge of a flat plate were carried out. Shadowgraphs obtained at jet exit Mach number 0.3 to 0.8 consistently showed an orderly large oscillatory flow structure. It is believed that these large scale disturbances are the result of flow instabilities. It is also believed that these orderly disturbances are responsible for generating the dominant part of trailing edge noise either directly or indirectly. The interaction of sound generated by these coherent oscillatory flow disturbances and the plate was investigated theoretically. It is found that the farfield noise directivity is strongly influenced by diffraction of sound at the leading edge of the plate.

Tam, C. K. W.↗
DOE OSTI2022

Canted antiferromagnetic phases in the candidate layered Weyl material EuMnSb 2

EuMnSb 2 is a candidate topological material which can be tuned towards a Weyl semimetal, but there are differing reports for its antiferromagnetic (AFM) phases. The coupling of bands dominated by pure Sb layers hosting topological fermions to Mn and Eu magnetic states provides a potential path to tune the topological properties. In this study we present single-crystal neutron diffraction, magnetization, and heat-capacity data as well as polycrystalline 151 Eu Mössbauer data which show that three AFM phases exist as a function of temperature, and we present a detailed analysis of the magnetic structure in each phase. The Mn magnetic sublattice orders into a C-type AFM structure below T N Mn = 323 (1) K with the ordered Mn magnetic moment μ Mn lying perpendicular to the layers. AFM ordering of the Eu sublattice occurs below T N Eu1 = 23 (1) K with the ordered Eu magnetic moment μ Eu canted away from the layer normal and μ Mn retaining its higher temperature order. μ Eu is ferromagnetically aligned within each Eu layer but exhibits a complicated AFM layer stacking. Both of these higher-temperature phases are described by magnetic space group (MSG) $\mathcal{Pn'm'a'}$ with the chemical and magnetic unit cells having the same dimensions. Cooling below T N Eu2 =9 (1) K reveals a third AFM phase where μ Mn remains unchanged but μ Eu develops an additional substantial in-plane canting. This phase has MSG $\mathcal{P11}$ $\frac{2_1}{a&prime;}$. We also find some evidence of short-range magnetic correlations associated with the Eu between 12 K≲ T≲ 30 K . Using the determined magnetic structures, we postulate the signs of nearest-neighbor intralayer and interlayer exchange constants and the magnetic anisotropy within a general Heisenberg model. We then discuss implications of the various AFM states in EuMnSb 2 and their potential for tuning topological properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

From random stacking faults to polytypes: A 12-layer NiSn 4 polytype

NiSn 4 grows in diffusion couples (Ni plates with electrodeposited Sn) in a temperature range from room temperature up to 353 K. Previously, the crystal structure of NiSn 4 grown at ambient temperature was identified to be an intermediate stacking variant between the orthorhombic PtSn 4 -type and the tetragonal β-IrSn 4 -type structure, with a slight tendency towards the tetragonal type. Now it is reported that NiSn 4 forming at 333 K and above, exhibits a 12-layer polytype (space group P4 2 /nbc, a = b = 6.250 Å, c = 69.00 Å) due to ordered incorporation of stacking faults into the structure. Here, this NiSn 4 structure was derived by comparison of its diffraction patterns with those of the exhaustively generated NiSn 4 polytypes. First-principles calculations on a series of selected NiSn 4 polytypes demonstrate that the experimentally observed polytype is energetically favoured as compared to others.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Reversible Disorder-to-Order Transition Induced by Aqueous Lithiation in Vanadate Electrode Materials

Vanadium-based oxides are intriguing electrode materials in aqueous electrochemical systems owing to their low cost and high theoretical capacity for alkali storage, especially lithium (Li) ions. However, a sequence of phase transformations and irreversible structure distortion upon Li-ion intercalation causes structural instability and has been a lingering problem for vanadium oxide electrodes. Here, in this work, we investigate lithium vanadate (Li–V 3 O 8 ) for aqueous Li-ion intercalation and deintercalation processes. Unlike its crystalline V 2 O 5 polymorph, Li–V 3 O 8 retains monophasic lithiation, which is attributed to its disordered crystalline nature and large interplanar distance. Importantly, we show a unique and reversible sequence of disorder-to-order structural transition induced by the extent of lithiation, which indicates sequential interlayer and intralayer lithiation process, and vice versa in delithiation process, supported by electrokinetic analysis, in situ X-ray diffraction (XRD), and Debye scattering simulations. The absence of distortive phase transitions and multilithiation pathways facilitates Li-ion diffusion across the vanadate electrode materials to improve storage capacity. This work opens a new dimension for vanadium-based disordered oxides, accelerating the development of low-cost, aqueous electrochemical systems.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Streptococcus pyogenes Shr protein captures human hemoglobin using two structurally unique binding domains

In order to proliferate and mount an infection, many bacterial pathogens need to acquire iron from their host. The most abundant iron source in the body is the oxygen transporter hemoglobin (Hb). Streptococcus pyogenes , a potentially lethal human pathogen, uses the Shr protein to capture Hb on the cell surface. Shr is an important virulence factor, yet the mechanism by which it captures Hb and acquires its heme is not well-understood. In this work, we show using NMR and biochemical methods that Shr binds Hb using two related modules that were previously defined as domains of unknown function (DUF1533). These hemoglobin-interacting domains (HIDs), called HID1 and HID2, are autonomously folded and independently bind Hb. The 1.5 Å resolution crystal structure of HID2 revealed that it is a structurally unique Hb-binding domain. Mutagenesis studies revealed a conserved tyrosine in both HIDs that is essential for Hb binding. Our biochemical studies indicate that HID2 binds Hb with higher affinity than HID1 and that the Hb tetramer is engaged by two Shr receptors. NMR studies reveal the presence of a third autonomously folded domain between HID2 and a heme-binding NEAT1 domain, suggesting that this linker domain may position NEAT1 near Hb for heme capture.

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

Transforming an Ionic Conductor into an Electronic Conductor via Crystallization: In Situ Evolution of Transference Numbers and Structure in (La,Sr)(Ga,Fe)O 3–x Perovskite Thin Films

Mixed-conducting perovskites are workhorse electrochemically active materials, but typical high-temperature processing compromises their catalytic activity and chemo-mechanical integrity. Low-temperature pulsed laser deposition of amorphous films plus mild thermal annealing is an emerging route to form homogeneous mixed conductors with exceptional catalytic activity, but little is known about the evolution of the oxide-ion transport and transference numbers during crystallization. Here the coupled evolution of ionic and electronic transport behavior and structure in room-temperature-grown amorphous (La,Sr)(Ga,Fe)O 3-x films as they crystallize is explored. In situ ac-impedance spectroscopy with and without blocking electrodes, simultaneous capturing-synchrotron-grazing-incidence X-ray diffraction, dc polarization, transmission electron microscopy, and molecular dynamics simulations to evaluate isothermal and non-isothermal crystallization effects and the role of grain boundaries on transference numbers is combined. Ionic conductivity increases by ≈2 orders of magnitude during crystallization, with even larger increases in electronic conductivity. Consequently, as crystallinity increases, LSGF transitions from a predominantly ionic conductor to a predominantly electronic conductor. The roles of evolving lattice structural order, microstructure, and defect chemistry are examined. Grain boundaries appear relatively nonblocking electronically but significantly blocking ionically. The results demonstrate that ionic transference numbers can be tailored over a wide range by tuning crystallinity and microstructure without having to change the cation composition.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Reinforcement Learning of Structured Stabilizing Control for Linear Systems With Unknown State Matrix

This paper delves into designing feedback control gains for a continuous-time linear quadratic regulator (LQR) problem that is constrained to certain predefined structure with unknown state matrix. We bring forth the ideas from reinforcement learning (RL) in conjunction with sufficient stability and performance guarantees in order to design these structured gains using the trajectory measurements of states and controls. Here we first formulate a model-based framework using dynamic programming (DP) to embed the structural constraint to the LQR gain computation in the continuous-time setting, and then subsequently, formulate a policy iteration RL algorithm that can alleviate the requirement of known state matrix in conjunction with maintaining the feedback gain structure. The design enables a distributed learning control design which is necessary for many large-scale cyber-physical systems. Theoretical guarantees are provided for stability and convergence of the structured reinforcement learning (SRL) algorithm. We validate our theoretical results with numerical simulations on a multi-agent networked linear time-invariant (LTI) dynamic system.

42 ENGINEERING↗
DOE OSTI2022

Self‐Assembled LuFeO 3 /LuFe 2 O 4 Heterostructure with Emergent Ferroic Orderings

Abstract Achieving self‐assembling structures that exhibit emergent properties and functionalities is one of the holy grails in nanotechnology and holds great promise for a wide range of potential applications. Herein, a self‐assembled LuFeO 3 –(1/3)LuFe 2 O 4 –LuFeO 3 heterostructure that consists of two model multiferroics, i.e., hexagonal LuFeO 3 and rhombohedral LuFe 2 O 4 , is reported in single‐layer epitaxial LuFeO 3 thin films. Atomic‐scale electron microscopy investigations reveal the spontaneous organization of ferroelectric polarization in each building block, which forms a series of polar configurations. Specifically, the charge and lattice of neighboring LuFeO 3 and LuFe 2 O 4 blocks are closely coupled with competing degrees of freedom. A combination of the quantitative analysis of atomically resolved images and spectroscopy with theoretical calculations determines how charge‐ordering‐induced polarization accommodates charge naturality across the interfaces to reduce the system energy and unravels the formation mechanism of this heterostructure. The results point to the possibilities of generation and control of multiferroic self‐assembled systems, which may provide a basis for engineering novel materials with emergent properties.

Deng, Shiqing↗
DOE OSTI2024

Complex magnetic ordering in EuAl 4 –A 151 Eu Mössbauer study

151 Eu Mössbauer spectroscopy has been used to investigate the behaviour of EuAl 4 through the four magnetic transitions that occur below 16 K. We find clear evidence for the first transition (T N1 , the onset of order) where an incommensurate modulated magnetic structure appears, and the third (T N3 ) where the modulation disappears at the tetragonal → orthorhombic structural transition. We see no changes at the lowest transition (T N4 ) but find that the modulation amplitude passes through a maximum at T N2 . Data on the isostructural but magnetically simpler EuGa 4 are also presented for comparison.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1974

Comparative atmosphere structure experiment

Atmospheric structure of outer planets as determined by pressure, temperature, and accelerometers is reviewed and results obtained from the PAET earth entry are given. In order to describe atmospheric structure, entry is divided into two regimes, high and low speed. Acceleration is then measured: from these measurements density is determined as a function of time. The equations of motion are integrated to determine velocity, flight path angle, and altitude as a function of time. Density is then determined as a function of altitude from the previous determinations of density and altitude as a function of time. Hydrostatic equilibrium was assumed to determine pressure as a function of altitude. Finally the equation of space applied to determine temperature as a function of altitude, if the mean molecular weight is known. The mean molecular weight is obtained independently from either the low speed experiment or from the composition experiments.

Sommer, S.↗
NASA NTRS1977

Structural stiffness, strength and dynamic characteristics of large tetrahedral space truss structures

Physical characteristics of large skeletal frameworks for space applications are investigated by analyzing one concept: the tetrahedral truss, which is idealized as a sandwich plate with isotropic faces. Appropriate analytical relations are presented in terms of the truss column element properties which for calculations were taken as slender graphite/epoxy tubes. Column loads, resulting from gravity gradient control and orbital transfer, are found to be small for the class structure investigated. Fundamental frequencies of large truss structures are shown to be an order of magnitude lower than large earth based structures. Permissible loads are shown to result in small lateral deflections of the truss due to low-strain at Euler buckling of the slender graphite/epoxy truss column elements. Lateral thermal deflections are found to be a fraction of the truss depth using graphite/epoxy columns.

Mikulas, M. M., Jr.↗