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At least 343 records · Page 19

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Charge radii of exotic neon and magnesium isotopes

We compute the charge radii and ground-state energies of even-mass neon and magnesium isotopes from neutron number N = 8 to the dripline. Our calculations are based on nucleon-nucleon and three-nucleon potentials from chiral effective field theory that include Δ isobars. These potentials yield an accurate saturation point and symmetry energy of nuclear matter. We use the coupled-cluster method and start from an axially symmetric reference state. Binding energies and two-neutron separation energies largely agree with data, and the dripline in neon is accurate. The computed charge radii are accurate for many isotopes where data exist. Finer details, such as isotope shifts, however, are not accurately reproduced. These chiral potentials indicate a subshell closure at N = 14 for the radii (but not for two-neutron separation energies) and a decrease in charge radii at N = 8 (observed in neon and predicted for magnesium). Furthermore, they yield a continued increase of charge radii as neutrons are added beyond N = 14 yet underestimate the large increase at N = 20 in magnesium.

20 ≤ A ≤ 38↗

DOE OSTI2026

High-Order Mesh r-Adaptivity with Tangential Relaxation and Guaranteed Mesh Validity

High-order meshes are crucial for achieving optimal convergence rates in curvilinear domains, preserving symmetry, and aligning with key flow features in moving mesh simulations [1], but their quality is challenging to control. In prior work, we have developed techniques based on Target-Matrix Optimization Paradigm (TMOP) to adapt a given high-order mesh to the geometry and solution of the partial differential equation (PDE) [2, 3]. Here, we extend this framework to address two key gaps in the literature for highorder mesh 𝑟-adaptivity. First, we introduce tangential relaxation on curved surfaces using solely the discrete mesh representation, eliminating the need for access to underlying geometry (e.g., CAD model). Second, we ensure a continuously positive Jacobian determinant throughout the domain. This determinant positivity is essential for using the high-order mesh resulting from 𝑟-adaptivity with arbitrary quadrature schemes in simulations. The proposed approach is demonstrated to be robust using a variety of numerical experiments.

Mathematics and Computing↗

DOE OSTI2021

Distributions in CFT. Part II. Minkowski space

CFTs in Euclidean signature satisfy well-accepted rules, such as the convergent Euclidean OPE. It is nowadays common to assume that CFT correlators exist and have various properties also in Lorentzian signature. Some of these properties may represent extra assumptions, and it is an open question if they hold for familiar statistical-physics CFTs such as the critical 3d Ising model. Here we consider Wightman 4-point functions of scalar primaries in Lorentzian signature. We derive a minimal set of their properties solely from the Euclidean unitary CFT axioms, without using extra assumptions. We establish all Wightman axioms (temperedness, spectral property, local commutativity, clustering), Lorentzian conformal invariance, and distributional convergence of the s-channel Lorentzian OPE. This is done constructively, by analytically continuing the 4-point functions using the s-channel OPE expansion in the radial cross-ratios ρ, ρ¯. We prove a key fact that |ρ|, |ρ¯| < 1 inside the forward tube, and set bounds on how fast |ρ|, |ρ¯| may tend to 1 when approaching the Minkowski space.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1977

Water vapor in the lower stratosphere measured from aircraft flight

Water vapor in the lower stratosphere was measured in situ by two aluminum oxide hygrometers mounted on the nose of an RB57 aircraft. Data were taken nearly continuously from January to May 1974 from an altitude of approximately 11-19 km as the aircraft flew between 70 deg N and 50 deg S over the land areas in the Western Hemisphere. Pseudomeridional cross sections of water vapor and temperature were derived from the flight data and show mixing ratios predominantly between 2 and 4 microg/g with an extreme range of 1-8 microg/g. Measurement precision was estimated by comparing the simultaneously measured values from the two flight hygrometer systems. Accuracy was estimated to be about + or - 40% at 19 km. A height-averaged latitudinal cross section of water vapor indicates symmetry of wet and dry zones. This cross section is compared with other aircraft measurements and relates to meridional circulation models.

Hilsenrath, E.↗

DOE OSTI2025

Electronic structure, and magnetic and superconducting pairing tendencies of the alternating single layer–bilayer stacking nickelate La 5 ⁢Ni 3 ⁢O 11 under pressure

Nickelates have continued to surprise since their unconventional superconductivity was discovered. Recently, the layered nickelate La 5 ⁢Ni 3 ⁢O 11 with hybrid single-layer and bilayer stacking showed superconductivity under high pressure. This compound combines features of single-layer La 2 ⁢NiO 4 and bilayer La 3 ⁢Ni 2 ⁢O 7 , but its pairing mechanism remains to be understood. Motivated by this finding, here we report a comprehensive theoretical study of this system. Our density functional theory calculations reveal that the undistorted P4/mmm phase without pressure is unstable due to three distortion modes. As pressure increases, these modes are suppressed, leading to the high-symmetry P4/mmm phase without NiO 6 octahedron tilting. Moreover, the “charge transfer” between the single-layer and bilayer sublattices was observed, leading to hole doping in the single-layer blocks. Our random-phase approximation calculations indicate a leading 𝑑 𝑥 2 −𝑦 2 -wave pairing state that arises from spin-fluctuation scattering between Fermi surface states mainly originating from the single-layer blocks and additional weaker contributions from the bilayer blocks. These spin fluctuations could be detected by inelastic neutron scattering as a strong peak at 𝐪 = (𝜋,𝜋). Our findings distinguish La 5 ⁢Ni 3 ⁢O 11 from other nickelate superconductors discovered so far and the high-𝑇 𝑐 cuprates. We also discuss both similarities and differences between La 5⁢ Ni 3 ⁢O 11 and other hybrid stacking nickelates.

Zhang, Yang [Univ. of Tennessee, Knoxville, TN (Un↗

DOE OSTI2020

Estimation of elastic properties of an additively manufactured lattice using resonant ultrasound spectroscopy

Development of improved approaches in the characterization of additively manufactured structures continues to be a topic of interest for the advanced manufacturing community. This article will investigate an approach using resonant ultrasound spectroscopy (RUS) to determine the effective elastic constants of an orthotropic lattice structure. The evaluation is performed on a cube shaped 316 L stainless steel test specimen, constructed using selective laser melting techniques. The approach uses RUS techniques in conjunction with the assumption that in the frequency regime of interest, the wavelength of the diagnostic ultrasound is greater than the discrete structural features of the unit cell of the lattice; thus, the AM structure can be treated as an anisotropic continuum with effective material properties and symmetry inherited from the unit cell. The RUS analysis estimates the nine elastic coefficients associated with orthotropic sample symmetry, which, in turn, are used to determine the elastic moduli and Poisson ratios. Current results show good agreement between experiments and modeled data. Comparisons to published results are also in good agreement, indicating the potential applicability of this characterization technique for estimating the linear elastic properties of innovative additive manufactured metal lattice structures.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Electronic structure of the parent compound of superconducting infinite-layer nickelates

The search continues for nickel oxide-based materials with electronic properties similar to cuprate high-temperature superconductors. The recent discovery of superconductivity in the doped infinite-layer nickelate NdNiO 2 has strengthened these efforts. In this work, we use X-ray spectroscopy and density functional theory to show that the electronic structure of LaNiO 2 and NdNiO 2 , while similar to the cuprates, includes significant distinctions. Unlike cuprates, the rare-earth spacer layer in the infinite-layer nickelate supports a weakly interacting three-dimensional 5d metallic state, which hybridizes with a quasi-two-dimensional, strongly correlated state with $3d_{x^2-y^2}$ symmetry in the NiO 2 layers. Thus, the infinite-layer nickelate can be regarded as a sibling of the rare-earth intermetallics which are well known for heavy fermion behaviour, where the NiO 2 correlated layers play an analogous role to the 4f states in rare-earth heavy fermion compounds. This Kondo- or Anderson-lattice-like ‘oxide-intermetallic’ replaces the Mott insulator as the reference state from which superconductivity emerges upon doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1976

Water vapor in the lower stratosphere measured from aircraft flight

Water vapor in the lower stratosphere was measured in situ by two aluminum oxide hygrometers mounted on the nose of an RB57 aircraft. Data were taken nearly continuously from January to May 1974 from an altitude of approximately 11 km to 19 km as the aircraft flew between 70 deg N and 50 deg S over the land areas in the Western Hemisphere. Pseudomeridional cross sections of water vapor and temperature are derived from the flight data and show mixing ratios predominantly between 2 and 4 micron gm/gm with an extreme range of 1 to 8 micron gm/gm. Measurement precision is estimated by comparing the simultaneously measured values from the two flight hygrometer systems. Accuracy is estimated to be about + or - 40 percent at 19 km. A height-averaged latitudinal cross section of water vapor shows symmetry of wet and dry zones.

Hilsenrath, E.↗

NASA NTRS2001

Observations of Circumstellar Material Around Evolved Stars With the ISI

The U.C. Berkeley Infrared Spatial Interferometer (ISI) is a stellar interferometer operating in the 9-12 micron region and has been in operation from 1988 until the present. It utilizes heterodyne detection using CO2 laser local oscillators and currently includes two 1.65 m movable telescopes mounted in semi-trailers and baselines up to about 65 m in length. A third telescope is being integrated with the other two and within the next year will operate as an imaging interferometer providing data with three simultaneous baselines and a closure phase, and baselines up to about 75 m. During the past twelve years the ISI has been used extensively for studies of circumstellar material around evolved stars. Multi-epoch observations of a sample of prototypical sources have elucidated the location and time scales for dust formation around these stars. These time scales can be as short as approx.10 years for Mira stars and as long as approx. 100 years for supergiants. For stars like Mira itself there is evidence for departure from spherical symmetry and episodes of dust formation and destruction. For some stars motion of dust has been observed -- IK Tau is one example, and NML Cyg is another. The molecules Silane and Ammonia were observed for the extreme carbon star IRC +10216 and the supergiant VY CMa pinpointing their location relative to the inner radius of the dust shell. Somewhat surprisingly, these molecules were found to form many stellar radii away from the inner radius of the dust shell, implying that they form by interactions with the surfaces of dust grains. Last year observations with the longest baselines lead to new precision diameters of $o$ Ceti and $\alpha$ Orionis, and are continuing on a somewhat larger set of Mira variable and supergiant stars.

Danchi, W. C.↗

DOE OSTI2024

Controlling the orbital Hall effect in gapped bilayer graphene in the terahertz regime

We study the orbital Hall effect (OHE) in the AC regime using bilayer graphene (BLG) as a prototypical material platform. While the unbiased BLG has gapless electronic spectra, applying a perpendicular electric field creates an energy band gap that can be continuously tuned from zero to high values. By exploiting this flexibility, we demonstrate the ability to control the behavior of AC orbital Hall conductivity. Particularly, we demonstrate that the orbital Hall conductivity at the neutrality point changes its signal at a critical frequency, the value of which is proportional to the perpendicular electric field. For BLG with narrow band gaps, the active frequency region for the AC OHE may extend to a few terahertz, which is experimentally accessible with current technologies. We also consider the introduction of a perpendicular magnetic field in the weak-coupling regime using first-order perturbation theory to illustrate how the breaking of time-reversal symmetry enables the emergence of the AC charge Hall effect in the charge-doped situation and modifies the AC orbital Hall conductivity. Our calculations suggest that BLG with narrow band gaps is a practical candidate for investigating time-dependent orbital angular momentum transport. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗

DOE OSTI2024

Controlling the orbital Hall effect in gapped bilayer graphene in the terahertz regime

36 MATERIALS SCIENCE↗

DOE OSTI2020

Three-state nematicity in the triangular lattice antiferromagnet Fe 1/3 NbS 2

Nematic order is the breaking of rotational symmetry in the presence of translational invariance. While originally defined in the context of liquid crystals, the concept of nematic order has arisen in crystalline matter with discrete rotational symmetry, most prominently in the tetragonal Fe-based superconductors where the parent state is four-fold symmetric. In this case the nematic director takes on only two directions, and the order parameter in such 'Ising-nematic' systems is a simple scalar. In this study, using a spatially resolved optical polarimetry technique, we show that a qualitatively distinct nematic state arises in the triangular lattice antiferromagnet Fe 1/3 NbS 2 . The crucial difference is that the nematic order on the triangular lattice is a Z 3 or three-state Potts-nematic order parameter. As a consequence, the anisotropy axes of response functions such as the resistivity tensor can be continuously reoriented by external perturbations. This discovery lays the groundwork for devices that exploit analogies with nematic liquid crystals.

36 MATERIALS SCIENCE↗

NASA NTRS1984

An experimental investigation of surface pressure measurements on an advanced winged entry vehicle at Mach 10

Surface pressure measurements have been made at Mach 10 in air on an instrumented 0.006-scale model of an advanced (control configured) winged entry vehicle. The tests were conducted in the Langley Continuous Flow Hypersonic Tunnel. Data were obtained at 83 surface pressure stations, which include locations on the lower and upper surface centerlines, spanwise positions along the lower and upper surfaces of the wing, the lower surface of the body flap, and radial locations on the fuselage. Data were obtained for angles of attack ranging from zero to 40 deg, sideslip angles of -2 deg to +5 deg, Reynolds numbers of 0.5, 1.0, and 2.0 million per foot, and body-flap deflections of zero, 10, and 20 deg. Test conditions and orifice locations were chosen to correspond directly with those for the heat transfer measurements previously reported on the same configuration. Comparison of windward symmetry plane data with predictions based upon an approximate engineering method was found to yield reasonable agreement for angles of attack from 20 to 40 deg. The leeward surface pressure data were observed to be roughly an order of magnitude lower than the corresponding windward data. At low angles of attack, regions of high pressure were noted on the windward wing surface. The result is attributed to vortical action or shock impingement. High pressures were also measured on the deflected body flap, a critical region for this type of vehicle. Reynolds number effects were found to be insignificant.

Wurster, K. E.↗

DOE OSTI2025

Substituent and Heteroatom Effects on π–π Interactions: Evidence That Parallel-Displaced π-Stacking is Not Driven by Quadrupolar Electrostatics

Stacking interactions are a recurring motif in supramolecular chemistry and biochemistry, where a persistent theme is a preference for parallel-displaced aromatic rings rather than face-to-face π-stacking. This is usually explained in terms of quadrupole–quadrupole interactions between the arene moieties but that interpretation is inconsistent with accurate calculations, which reveal that the quadrupolar picture is qualitatively wrong. At typical π-stacking distances, quadrupolar electrostatics may differ in sign from an exact calculation based on charge densities of the interacting arenes. We apply symmetry-adapted perturbation theory to dimers composed of substituted benzene and various aromatic heterocycles, which display a wide range of electrostatic interactions, and we investigate the interplay of Pauli repulsion, dispersion, and electrostatics as it pertains to parallel-displaced π-stacking. Profiles of energy components along cofacial slip-stacking coordinates support a prominent role for the “van der Waals model” (dispersion in competition with Pauli repulsion), even for polar monomers where electrostatic interactions are significant. While electrostatic interactions are necessary to explain the optimal face-to-face π-stacking distance and to account for the relative orientation of one polar arene with respect to another, we find no evidence to support continued invocation of quadrupolar electrostatics as a basis for π-stacking. Our results suggest that a driving force for offset-stacking exists even in the absence of electrostatic interactions. Consequently, tuning electrostatics via functionalization does not guarantee that slip-stacking can be avoided. This has implications for rational design of soft materials and other supramolecular architectures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

The delayed-detonation model of Type Ia supernovae. 2: The detonation phase

The investigation, by use of two-dimensional numerical hydrodynamics simulations, of the 'delayed detonation' mechanism of Khokhlov for the explosion of Type Ia supernovae is continued. Previously we found that the deflagration is insufficient to unbind the star. Expansion shuts off the flame; much of this small production of iron group nuclei occurs at lower densities, which reduces the electron-capture problem. Because the degenerate star has an adiabatic exponent only slightly above 4/3, the energy released by deflagration drives a pulsation of large amplitude. During the first expansion phase, adiabatic cooling shuts off the burning, and a Rayleigh-Taylor instability then gives mixing of high-entropy ashes with low-entropy fuel. During the first contraction phase, compressional heating reignites the material. The burning was allowed to develop into a detonation in these nonspherical models. The detonation grows toward spherical symmetry at late times. At these densities (rho approx. 10(exp 7) to 10(exp 8) g cm(exp -3)), either Ni-56 or nuclei of the Si-Ca group are the dominant products of the burning. The bulk yields are sensitive to the density of the star when the transition to detonation occurs. The relevance of the abundances, velocities, mixing, and total energy release to the theory and interpretation of Type Ia supernovae is discussed.

Arnett, David↗

DOE OSTI2021

Island for gravitationally prepared state and pseudo entanglement wedge

We consider spacetime initiated by a finite-sized initial boundary as a generalization of the Hartle-Hawking no-boundary state. We study entanglement entropy of matter state prepared by such spacetime. We find that the entanglement entropy for large subregion is given either by the initial state entanglement or the entanglement island, preventing the entropy to grow arbitrarily large. Consequently, the entanglement entropy is always bounded from above by the boundary area of the island, leading to an entropy bound in terms of the island. The island I is located in the analytically continued spacetime, either at the bra or the ket part of the spacetime in Schwinger-Keldysh formalism. The entanglement entropy is given by an average of complex pseudo generalized entropy for each entanglement island. We find a necessary condition of the initial state to be consistent with the strong sub-additivity, which requires that any probe degrees of freedom are thermally entangled with the rest of the system. We then find a large parameter region where the spacetime with finite-sized initial boundary, which does not have the factorization puzzle at leading order, dominates over the Hartle-Hawking no-boundary state or the bra ket wormhole. Due to the absence of a moment of time reflection symmetry, the island in our setup is a generalization of the entanglement wedge, called pseudo entanglement wedge. In pseudo entanglement wedge reconstruction, we consider reconstructing the bulk matter transition matrix on A ∪ I, from a fine-grained state on A. The bulk transition matrix is given by a thermofield double state with a projection by the initial state. We also provide an AdS/BCFT model by considering EOW branes with corners. We also find the exponential hardness of such reconstruction task using a generalization of Python’s lunch conjecture to pseudo generalized entropy.

2D gravity↗

DOE OSTI2021

Intrinsic anharmonicity and thermal properties of ultralow thermal conductivity Ba 6 Sn 6 Se 13

Ultralow thermal conductivity materials continue to be of great interest for technologically important applications such as thermal insulators and thermoelectrics. Often, such materials possess constituents with extensive dynamic disorder, or “rattlers,” or structural disorder such as metallic glasses. Nevertheless, targeted crystalline bonding order and anharmonicity can provide effective means for the scattering of the phonons in certain materials. Our combined experimental and theoretical investigation of Ba 6 Sn 6 Se 13 reveals such a material, with ultralow thermal conductivity measured over a large temperature range. Optic phonon modes hybridize with acoustic modes at relatively low energies resulting in strong acoustic-optic scattering and limited phonon lifetimes. Moreover, our investigations reveal various avoided crossings at low energies that contribute to phonon scattering. These are derived from chiral phase symmetries and may result in nontrivial topological behaviors for phonon band crossings in this chiral material. This work contributes to the ongoing research on low thermal conductivity materials and the underlying mechanisms that affect their thermal behaviors. Manipulation of these effects may provide pathways for enhancement of material properties for targeted thermal applications using similar materials.

36 MATERIALS SCIENCE↗

NASA NTRS1978

Large space structures fabrication experiment

The fabrication machine used for the rolltrusion and on-orbit forming of graphite thermoplastic (CTP) strip material into structural sections is described. The basic process was analytically developed parallel with, and integrated into the conceptual design of, a flight experiment machine for producing a continuous triangular cross section truss. The machine and its associated ancillary equipment are mounted on a Space Lab pallet. Power, thermal control, and instrumentation connections are made during ground installation. Observation, monitoring, caution and warning, and control panels and displays are installed at the payload specialist station in the orbiter. The machine is primed before flight by initiation of beam forming, to include attachment of the first set of cross members and anchoring of the diagonal cords. Control of the experiment will be from the orbiter mission specialist station. Normal operation is by automatic processing control software. Machine operating data are displayed and recorded on the ground. Data is processed and formatted to show progress of the major experiment parameters including stable operation, physical symmetry, joint integrity, and structural properties.

Source record↗