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At least 217 records · Page 12

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NASA NTRS1990

Theoretical study of the A 3Sigma(-)-X 3Pi transition in SiC

A theoretical study of the A 3Sigma(-)-X 3Pi infrared transition in SiC is presented using atomic natural orbital Gaussian basis sets in conjuction with multireference configuration interaction calculations. Dipole moment functions have been computed for both states as well as the A-X electronic transition moment function. The calculations predict that T(00) is 3700 + or - 200/cm, so that the transition recently observed in emission near 4500/cm and assigned to the 0-0 band of the A 3Sigma(-)-X 3Pi system of SiC is actually the 1-0 band.

Langhoff, Stephen R.↗

DOE OSTI2024

Understanding and tuning magnetism in van der Waals-type metal thiophosphates

Over the past two decades, significant progress in two-dimensional (2D) materials has invigorated research in condensed matter and material physics in low dimensions. While traditionally studied in three-dimensional systems, magnetism has now been extended to the 2D realm. Recent breakthroughs in 2D magnetism have attracted substantial interest from the scientific community, owing to the stable magnetic order achievable in atomically thin layers of the van der Waals (vdW)-type layered magnetic materials. These advances offer an exciting platform for investigating related phenomena in low dimensions and hold promise for spintronic applications. Consequently, vdW magnetic materials with tunable magnetism have attracted significant attention. Specifically, antiferromagnetic metal thiophosphates MPX 3 (M = transition metal, P = phosphorus, X = chalcogen) have been investigated extensively. These materials exhibit long-range magnetic order spanning from bulk to the 2D limit. The magnetism in MPX 3 arises from localized moments associated with transition metal ions, making it tunable via substitutions and intercalations. In this review, we focus on such tuning by providing a comprehensive summary of various metal- and chalcogen-substitution and intercalation studies, along with the mechanism of magnetism modulation, and a perspective on the development of this emergent material family.

42 ENGINEERING↗

NASA NTRS1959

Wind-Tunnel Investigation of the Effect of Angle of Attack and Flapping-Hinge Offset on Periodic Bending Moments and Flapping of a Small Rotor

A two-blade rotor having a diameter of 4 feet and a solidity of 0.037 was tested in the Langley 300-MPH 7- by 10-foot tunnel to obtain information on the effect of certain rotor variables on the blade periodic bending moments and flapping angles during the various stages of transformation between the helicopter and autogiro configuration. Variables studied included collective pitch angle, flapping-hinge offset, rotor angle of attack, and tip-speed ratio. The results show that the blade periodic bending moments generally increase with tip-speed ratio up into the transition region, diminish over a certain range of tip-speed ratio, and increase again at higher tip-speed ratios. Above the transition region, the bending moments increase with collective pitch angle and rotor angle of attack. The absence of a flapping hinge results in a significant amplification of the periodic bending moments, the magnitudes of which increase with tip-speed ratio. When the flapping hinge is used, an increase in flapping-hinge offset results in reduced period bending moments. The aforementioned trends exhibited by the bending moments for changes in the variables are essentially duplicated by the periodic flapping motions. The existence of substantial amounts of blade stall increased both the periodic bending moments and the flapping angles. Harmonic analysis of the bending moments shows significant contributions of the higher harmonics, particularly in the transition region.

McCarty, John Locke↗

NASA NTRS1972

Internal motion and its pressure dependence in FeSiF6+6/H2O/.

Both wideline and pulsed NMR techniques were used to examine the internal motion in FeSiF6+6(H2O). Corrections of second moments for bulk paramagnetic effects were essential. At room temperature and pressure, the fluorine-fluorine contribution to the 19F second moment is 0.38 (plus or minus 0.06) G2, and indicates rapid orientation of the SiF6(--) group. Analysis of the second moment within the transition region allows calculation of an activation volume which is 2.4 (plus or minus 0.4) % of the molar volume. The application of pressure slows the internal motion such that the rigid lattice values of the 19F second moment are obtained above 50 kbar.

Vaughan, R. W.↗

DOE OSTI2021

Magnetic ordering and structural distortion in PrFeAsO single crystal studied by neutron and x-ray scattering

We report the magnetic ordering and structural distortion in PrFeAsO crystals, the basis compound for one of the oxypnictide superconductors, using high-resolution x-ray diffraction, neutron diffraction, and x-ray resonant magnetic scattering (XRMS). We find the structural tetragonal-to-orthorhombic phase transition at T-S = 147K, the AFM phase transition of the Fe moments at T-Fe = 72K, and the Pr AFM phase transition at T-Pr = 21K. Combined high-resolution neutron diffraction and XRMS show unambiguously that the Pr moments point parallel to the longer orthorhombic a axis and order antiferromagnetically along the a axis but ferromagnetically along the b and c directions in the stripelike AFM order. The temperature-dependent magnetic order parameter of the Pr moments shows no evidence for a reorientation of moments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Quantum Choreography of the Nucleus: Rotations, Vibrations, and Emergent Structure

Abstract Nuclei are complex many-body quantum systems where interactions of the neutrons and protons via the strong, the weak, and the electromagnetic forces lead to the emergence of simple patterns of energy states that have been described by various theoretical approaches. One of the goals of all the theoretical models is the development of a universal theory that can be applied across the entire chart of nuclides. Significant progress has been made by experiments as well as the increasing sophistication of models, but a universal theory has yet to be established. A recent review of nuclei in the Z = 50–82 region of the chart of nuclides has analyzed all the available compiled data from several decades of studies towards a clarification of the low-lying structure of nuclei. Other reviews have reported and explained the emergence of multiple different shapes in nuclei at somewhat higher excitation energies than the ground state. Some have challenged the interpretation of the first excited K π = 0 + band as a vibration of ground state. This work attempts to provide a guide to determining the nature of the first excited K π = 0 + band in nuclei by the combined use of nuclear lifetimes, energy level evolutions, dynamic moments of inertia, and intrinsic quadrupole moments extracted from transition probabilities. The result is that for a subset of the nuclei in this region, the K π = 0 + band is consistent with the traditional 𝛽-vibration description of an oscillation built on the ground state.

CHFB+5DCH↗

DOE OSTI2020

Identification of hot water end-use process of electric water heaters from energy measurements

This paper presents an algorithm for the identification of parameters for a stochastic hot water end-use process that drives a homogeneous population of thermostatically controlled electric water heaters (EWH). Usually, only metered interval consumption data (kWh) is collected and the hot water end-use process is unobservable to utility and aggregators. However, the availability of EWHs for demand response (DR) is closely coupled with the hot water end-use process. In this context, the hot water end-use process is modeled as a two-state Markov chain (Use / No use), which causes the thermostatic ON-OFF switching process to behave as a Markov renewal process (MRP). A set of first passage-time problems is developed to obtain the moments of the transition probability densities of the MRP. These problems are addressed by establishing a system of coupled partial differential equations characterizing the temperature evolution of the EWH population. A key quantity in the methodology for estimating the parameters is the total time an EWH is ON within a period of interest. It is referred to as the total busy time. Total busy time in this approach is a random variable for which analytical expressions of the moments are developed as a function of the metered window length. The latter expressions become the basis of a hot water demand model identification algorithm which is validated using agent-based simulations of EWHs.

42 ENGINEERING↗

DOE OSTI2025

Applied-field magnetic structure and spectroscopy shifts of the effective spin-$\frac{1}{2}$ 𝑋⁢𝑌-like magnet Li 2 ⁢CoCl 4

Insulators containing chains of magnetic transition metal cations provide platforms for probing spin-$\frac{1}{2}$ dynamics and quantum critical behavior. Li 2 ⁢ CoCl 4 contains edge-sharing CoCl 6 octahedra that form chains along the crystallographic 𝑐 axis and orders antiferromagnetically at zero field, but questions remain about its applied-field magnetic structure and the Co 2+ spin state. Here, in this study, we show with neutron diffraction on a polycrystalline sample how the antialigned chains of cobalt moments begin to transition to a ferromagnetic state above 1.6 T. Further, using magnetic resonance absorption measurements and noninteracting spin models, we reveal the strongly anisotropic nature of the Co 2+ ion's 𝑋⁢𝑌-like magnetic behavior (𝑔 ∥ = 2.77 and 𝑔 ⊥ = 5.23) and its 𝐽 = $\frac{1}{2}$ ground state. We therefore supply the magnetic structures and anisotropic description needed to explore the dynamics of the field-driven magnetic phases, laying the foundation for further experimental and theoretical studies.

Riedel, Zachary W. [Univ. of Illinois at Urbana-Ch↗

DOE OSTI2025

Ramification of complex magnetism in Nd 2 Ir 2 O 7 observed by Raman scattering spectroscopy

Using Raman scattering spectroscopy, we uncover a complex magnetic behavior of Nd2Ir2O7, which stands out among magnetic pyrochlores by the lowest temperature of the all-in-all-out (AIAO) Ir moments ordering (${T}_{{\rm{Ir}}}^{{\rm{N}}} = 33$ K) and the highest temperature at which AIAO order of rare-earth Nd ions is detected (${T}_{{\rm{Nd}}}^{{\rm{* }}}$ = 15 K). Detected magnetic Raman scattering and calculations of expected response allow us to demonstrate that the ordering of Ir magnetic moments is accompanied by an appearance of one-magnon Raman modes at 26.3 and 29.6 meV compatible with the AIAO order and allowing to estimate the energies of Ir-Ir interactions. An additional two-magnon excitation of the AIAO Nd order at around 33 meV appears in the spectra below the ordering temperature of Nd moments ${T}_{{\rm{Nd}}}^{{\rm{* }}}$ = 15 K. In the temperature range between 15 K and 33 K we observe a broad mode, which demonstrates strong temperature dependence and shifts on cooling below 20 K from 14 meV to higher frequencies, and disappears at 5 K, when two-magnon excitation of Nd moments becomes prominent. We suggest an interpretation of this excitation in terms of continuum arising from collective fluctuations of Nd moments above the transition. This complex behavior emerges from the interplay of strong spin-orbit coupling, electronic correlations, and geometric frustration on two magnetic pyrochlore sublattices of Nd and Ir ions.

magnetic properties and materials↗

DOE OSTI2021

Defect-engineered room-temperature ferromagnetism in quasi-two-dimensional nitrided CoTa 2 O 6

Thermal ammonolysis of quasi-two-dimensional (quasi-2D) CoTa 2 O 6 yields the O 2– /N 3– and anionic vacancy-ordered Co 2+ $Ta^{5+}_{2}$O 6–x N 2x/3 $\square$ x/3 (x $\leqslant$ 0.15), which exhibits a transition from antiferromagnetism to defect-engineered above-room-temperature ferromagnetism. First-principles calculations reveal that the origin of ferromagnetism is a particular CoO 5 N configuration with N located at Wyckoff position 8j, which breaks mirror symmetry about the ab plane. A pressure-induced electronic phase transition is also predicted at ~24.5 GPa, accompanied by insulator-to-metal transition and magnetic moment vanishing.

36 MATERIALS SCIENCE↗

NASA NTRS1980

STS-1 operational flight profile. Volume 5: Descent cycle 3. Appendix D: GRTLS six degree of freedom Monte Carlo dispersion analysis

The results of a six degree of freedom (6-DOF) nonlinear Monte Carlo dispersion analysis for the latest glide return to landing site (GRTLS) abort trajectory for the Space Transportation System 1 Flight are presented. For this GRTLS, the number two main engine fails at 262.5 seconds ground elapsed time. Fifty randomly selected simulations, initialized at external tank separation, are analyzed. The initial covariance matrix is a 20 x 20 matrix and includes navigation errors and dispersions in position and velocity, time, accelerometer bias, and inertial platform misalinements. In all 50 samples, speedbrake, rudder, elevon, and body flap hinge moments are acceptable. Transitions to autoland begin before 9,000 feet and there are no tailscrapes. Navigation derived dynamic pressure accuracies exceed the flight control system constraints above Mach 2.5. Three out of 50 landings exceeded tire specification limit speed of 222 knots. Pilot manual landings are expected to reduce landing speed by landing farther downrange.

Montez, M. N.↗

NASA NTRS1989

Endfire tapered slot antenna characteristics

Typical configurations and operating characteristics for endfire tapered slot antennas are described. The feed transition modeling and moment method modeling techniques are utilized to predict antenna performance. The radiation pattern and cross polarization properties for the linearly tapered slot antennas are examined. Endfire tapered slot antennas are applicable for wide-band scanning arrays and focal plane arrays for imaging and multiple beam reflector systems.

Schaubert, D. H.↗

NASA NTRSDate not supplied

Transition Aero-Propulsive Analysis of a Tilt-Wing eVTOL Aircraft Using a Surface-Vorticity Solver

This work uses FlightStream, a surface-vorticity solver, to perform an aero-propulsive analysis on the NASA LA-8 aircraft through the transition flight regime. Aerodynamic force and moment coefficient predictions for forward and transition flight of the airframe without propulsors are compared with wind tunnel data. Powered transition cases are simulated using Conway actuator disks to model the propellers and results are compared with response surface equations derived from wind tunnel data. The approach described in the paper provides mid-fidelity solutions at a reduced computational cost compared to volumetric CFD, which allows for rapid transition flight analyses and optimization in the early design stages. The best prediction results were observed in forward flight and high-speed transition. Mid-transition results were not as close in magnitude but the trends exhibited reasonable agreement with experimental data.

Advanced Air Mobility↗

DOE OSTI2026

Spin reorientations in structurally metastable, disordered, and hexagonal Cr 7 ⁢Te 8

Vapor deposited two-dimensional Cr 7 ⁢Te 8 displays unusual temperature dependent Hall effect properties, including a room-temperature anomalous Hall effect, sign reversals of the Hall resistivity on cooling, and a peak in the Hall resistivity at low temperatures. The two-dimensional Cr 7⁢ Te 8 heterostructures that form the basis of these measurements are hexagonal in structure. We study the magnetic and structural properties of bulk Cr 7 ⁢Te 8 synthesized by quenching from 1000⁢°C with the goal of relating the magnetic, structural, and electronic properties. This quenched phase is metastable, hexagonal, and displays different magnetic properties from the slow-cooled and more thermodynamically stable monoclinic phase. High-resolution x-ray diffraction of the quenched hexagonal phase finds a first-order transition to a lower symmetry monoclinic phase on heating above ∼550 K. Magnetic susceptibility measurements of the quenched hexagonal phase reveal ferromagnetic ordering above room temperature, along with the two distinct transitions at ∼220 K and ∼70 K. Through neutron diffraction studies, we find the ∼220 K anomaly is a spin reorientation transition of the ferromagnetically aligned magnetic moments and the ∼70K feature represents a transition from a high-temperature ferromagnet to a low-temperature antiferromagnet. We suggest that these magnetic transitions are related to changes in the unit-cell dimensions and are connected to the temperature-dependent Hall resisitivity studied in two-dimensional heterostructures. This implies a link between structural, magnetic, and electronic properties in the “pseudo” two-dimensional chromium tellurides.

Chemical synthesis↗

NASA NTRS1976

Electric dipole moment function of the X1 Sigma/+/ state of CO - Vibration-rotation matrix elements for transitions of gas laser and astrophysical interest

The electric dipole moment function of the ground electronic state of carbon monoxide has been determined by combining numerical solutions of the radial Schrodinger equation with absolute intensity data of vibration-rotation bands. The derived dipole moment function is used to calculate matrix elements of interest to stellar astronomy and of importance in the carbon monoxide laser.

Chackerian, C., Jr.↗

NASA NTRS1959

Flight Investigation of Effects of Transition, Landing Approaches, Partial-Power Vertical Descents, and Droop-Stop Pounding on the Bending and Torsional Moments Encountered by a Helicopter Rotor Blade

Flight tests have been conducted with a single-rotor helicopter, one blade of which was equipped at 14 percent and 40 percent of the blade radius with strain gages calibrated to measure moments rather than stresses, to determine the effects of transition, landing approaches, and partial-power vertical descents on the rotor-blade bending and torsional moments. In addition, ground tests were conducted to determine the effects of static droop-stop pounding on the rotor-blade moments. The results indicate that partial-power vertical descents and landing approaches produce rotor-blade moments that are higher than the moments encountered in any other flight condition investigated to date with this equipment. Decelerating through the transition region in level flight was found to result in higher vibratory moments than accelerating through this region. Deliberately induced static droop-stop pounding produced flapwise bending moments at the 14-percent-radius station which were as high as the moments experienced in landing approaches and partial-power vertical descents.

Ludi, LeRoy H.↗

DOE OSTI2021

Coulomb excitation of 80,82 Kr and a change in structure approaching N = Z = 40

Nuclei approaching N = Z = 40 are known to exhibit strongly deformed structures and are thought to be candidates for shape coexistence. In the krypton isotopes, 80,82 Kr are poorly characterized, preventing an understanding of evolving deformation approaching N = 40. The present work aims to determine electric quadrupole transition strengths and quadrupole moments of 80,82 Kr in order to better characterize their deformation. Sub-barrier Coulomb excitation was employed, impinging the isotopes of krypton on 196 Pt and 208 Pb targets. Utilizing a semiclassical description of the safe Coulomb-excitation process E 2 matrix elements could then be determined. Eleven new or improved matrix elements are determined in 80 Kr and seven in 82 Kr . The new B(E2;0$^+_1$ → 2$^+_1$ ) value in 82 Kr disagrees with the evaluated value by 3σ , which can be explained in terms of deficiencies in a previous Coulomb-excitation analysis. Conclusions: Comparison of measured Q s ( 2$^+_1$ ) and B(E2; 0$^+_1$ → 2$^+_1$ ) values indicates that neutron-deficient ( N ≤ 42 ) isotopes of krypton are closer to axial deformation than other isotopic chains in the mass region. A continuation of this trend to higher Z may result in Sr and Zr isotopes exhibiting near-axial prolate deformation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Robust ab initio prediction of nuclear electric quadrupole observables by scaling to the charge radius

Meaningful predictions for electric quadrupole (E2) observables from ab initio nuclear theory are necessary, if the ab initio description of collective correlations is to be confronted with experiment, as well as to provide predictive power for unknown E2 observables. However, converged results for E2 observables are notoriously challenging to obtain in ab initio no-core configuration interaction (NCCI) approaches. Matrix elements of the E2 operator are sensitive to the large-distance tails of the nuclear wave function, which converge slowly in an oscillator basis expansion. Similar convergence challenges beset ab initio prediction of the nuclear charge radius. We demonstrate that the convergence patterns of the E2 and radius observables are strongly correlated, and that meaningful predictions for the absolute scale of E2 observables may be made by calibrating to the experimentally-known ground-state charge radius. Here, we illustrate by providing robust ab initio predictions for several E2 transition strengths and quadrupole moments in p-shell nuclei, in cases where experimental results are available for comparison.

6 ≤ A ≤ 19↗