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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

Here, we study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U , as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that the self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Enhanced surface exchange activity and electrode performance of (La 2–2x Sr 2x )(Ni 1–x Mn x )O 4+δ cathode for intermediate temperature solid oxide fuel cells

Surface exchange kinetics of Ruddlesden-Popper (R-P) phase lanthanum nickelates upon Mn doping as an intermediate temperature solid oxide fuel cells (IT-SOFCs) cathode is investigated for the first time in this communication. To promote the exchange rate in oxygen reduction reaction (ORR) on nickelates, Mn is partially substituted for Ni. The oxygen exchange resistance is accurately measured by electrochemical impedance spectroscopy (EIS) with dense thin layer cathode. It is found that Mn substantially promotes the surface kinetics; a surface exchange coefficient (k) of 1.57 × 10 –6 cm/s is obtained at 700 °C for La 1.8 Sr 0.2 Ni 0.9 Mn 0.1 O 4+δ (Sr20Mn10), ~80% higher than that of the undoped La 2 NiO 4+δ (LNO). To our best knowledge, such coefficient is the highest values among the currently available R-P phase IT-SOFC cathodes. The corresponding polarization resistances (R p ) are evaluated on porous electrodes. R p for LNO is 0.74 Ωcm 2 at 750 °C, but decreases significantly to 0.42 Ωcm 2 for Sr20Mn10 which is remarkably improved compared to the reported values in the literature for La 2 MO 4+δ materials (M = transition metal). In conclusion, those promising results demonstrate that Mn-doped LNO is a new excellent cathode material for IT-SOFC.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Simultaneous Integrated Boost Volumetric Modulated Arc Therapy in the Postoperative Treatment of High-Risk to Intermediate-Risk Endometrial Cancer: Results of ADA II Phase 1-2 Trial

Purpose: A prospective phase 1-2 clinical trial aimed at determining the recommended postoperative dose of simultaneous integrated boost volumetric modulated arc therapy (SIB-VMAT) in a large series of patients with high-risk and intermediate-risk endometrial cancer (HIR-EC) is presented. The study also evaluated the association between rate and severity of toxicity and comorbidities and the clinical outcomes. Methods and Materials: Two SIB-VMAT dose levels were investigated for boost to the vaginal vault, whereas the pelvic lymph nodes were always treated with 45 Gy. The first cohort received a SIB-VMAT dose of 55 Gy in 25 consecutive 2.2-Gy fractions, and the subsequent cohort received higher doses (60 Gy in 2.4-Gy fractions). Results: Seventy consecutive HIR-EC patients, roughly half of whom were obese (47.1%) or overweight (37.1%), with Charlson Age-Comorbidity Index >2 (48.5%), were enrolled. Thirty-one patients (44.3%) were administered adjuvant chemotherapy before starting radiation therapy. All patients (n=35 per dose level) completed irradiation without any dose-limiting toxicity. Proctitis (any grade) was associated with radiation therapy dose (P=.001); not so enterocolitis. Grade ≥2 gastrointestinal (GI) and genitourinary (GU) toxicity were recorded in 17 (24.3%) and 14 patients (20.0%), respectively, and were not associated with radiation dose. As for late toxicity, none of patients experienced late grade ≥3 GI or grade ≥2 GU toxicity. The 3-year late grade ≥2 GI and GU toxicity–free survival were 92.8% and 100%, respectively, with no difference between the 2 dose levels. With a median follow-up period of 25 months (range, 4-60 months), relapse/progression of disease was observed in 10 of 70 patients (14.2%). The 3-year cumulative incidence of recurrence was 1.5% (95% confidence interval (CI): 0.2-10.7), whereas the 3-year disease-free survival was 81.3% (95% CI: 65.0-90.0). Conclusions: This clinical study showed the feasibility of this technique and its good profile in terms of acute and late toxicity at the recommended doses even in aged and frail patients.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Chiral spin liquid with spinon Fermi surfaces in the spin-$\frac{1}{2}$ triangular Heisenberg model

Here, we study the interplay of competing interactions in spin-$\frac{1}{2}$ triangular Heisenberg model through tuning the first- ($J_1$), second- ($J_2$), and third-neighbor ($J_ 3$) couplings. Based on a large-scale density-matrix renormalization group calculation, we identify a quantum phase diagram of the system and discover a gapless chiral spin-liquid (CSL) phase in the intermediate $J_2$ and $J_ 3$ regime. This CSL state spontaneously breaks time-reversal symmetry with finite scalar chiral order, and it has gapless excitations implied by a vanishing spin triplet gap and a finite central charge on the cylinder. Moreover, the central charge grows rapidly with the cylinder circumference, indicating emergent spinon Fermi surfaces. To understand the numerical results we propose a parton mean-field spin-liquid state, the U (1) staggered flux state, which breaks time-reversal symmetry with chiral edge modes by adding a Chern insulator mass to Dirac spinons in the U (1) Dirac spin liquid. This state also breaks lattice rotational symmetries and possesses two spinon Fermi surfaces driven by nonzero $J_2$ and $J_3$, which naturally explains the numerical results. This realizes an example of a gapless CSL state with coexisting spinon Fermi surfaces and chiral edge states, demonstrating the rich family of interesting quantum phases emergent from competing interactions in triangular-lattice magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

A reexamination of early numerical simulations of planetary accretion

The intermediate stage of protoplanetary accretion, where sub-km sized bodies accrete in 500-1000 km diameter bodies, is critical in determining the character of subsequent evolution. Greenberg et al. discovered that, at least through the formation of 500 km planetary embryos, the small particle dominate the population and control the velocity distribution, keeping velocities much smaller and setting up the possibility of runaway accretion, where the largest body is able to accumulate quickly a much greater mass and separate itself from the continuum of the size distribution. However, some controversy remains as to the exact methods used by Greenberg et al. I reviewed that planet formation model in detail to address these criticisms and better explain the algorithm used in the study. In particular, the algorithms for mutual velocity stirring among planetesimals and mass shifting between adjacent diameter bins are rederived in detail. I also examined the likelihood of artificial acceleration of the runaway growth phase of the intermediate stage of planetesimal formation.

Kolvoord, R. A.↗
DOE OSTI2016

New insights on the formation of supersaturated Cu-Nb solid solution prepared by mechanical alloying

The deformation-driven alloying mechanisms in the immiscible Cu-Nb system during mechanical alloying (MA) process have been studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) observations. It is found that the dominating alloying mechanism changes at the different stages of milling. Initially, the alloying process is mainly governed by interfaces and dislocations, which supply fast diffusion channels between phases. In the intermediate stage, Nb particles with sizes below 8 nm undergo a bcc to fcc allotropic transformation, and the interdiffusion between fcc-Nb and fcc-Cu is promoted due to the similarity of lattice structures. Further milling generates disclination defects, which contribute to the formation of fragments or subgrains with sizes below 5 nm. The introduction of such defects and fragments benefits the formation of a complete Cu-Nb solid solution. The formation kinetics of solid solution is analyzed by Johnson-Mehl-Avrami equation, which suggests that the speed of the diffusion of Nb atoms into Cu is very slow. - Highlights: •The bcc to fcc transformation in Nb nanoparticles promotes diffusion process. •The formation of fragments with sizes below 5 nm is attributed to the disclination defects. •Defect-assisted diffusion is responsible for the alloying process.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Solvent Determines the Formation Pathway in Sol–Gel Synthesized Disordered Rock Salt Material for Lithium Ion Battery Application

The increasing demand for lithium-ion batteries with high capacity and cycling stability, in combination with the scarcity of cobalt and nickel, has led to significant efforts to develop new cathode materials based on earth-abundant transition metals. Mn- and Ti-based disordered rock salt (DRX) cathodes are promising candidates fulfilling these requirements. However, their large-scale fabrication can be energy- and time-intensive using traditional fabrication methods, e.g., solid-state synthesis. The present study showcases sol-gel synthesis as an alternative method with control over the crystallization pathway through solvent choice. Dimethylformamide (DMF) aids the homogenization of the transition metals during early crystallization stages and formation of Li2TiO3 and LiMn2O4 intermediates before the DRX phase is formed. In contrast, 2-methoxyethanol (2-ME) shows transition metal segregation and formation of an additional transition metal intermediate (Ti2MnO4) while not resulting in phase-pure DRX material after calcination. Coin cells prepared with DMF-material yield higher capacity and cycling stability compared with 2-ME material.

Kodalle, Tim↗
DOE OSTI2022

Amplitude analysis and branching fraction measurement of the decay $D_s^{+}$ → $π^+π^0π^0$

Using a data set corresponding to an integrated luminosity of 6.32 fb –1 recorded by the BESIII detector at center-of-mass energies between 4.178 and 4.226 GeV, an amplitude analysis of the decay $D_s^{+}$ → $π^+π^0π^0$ is performed, and the relative fractions and phases of different intermediate processes are determined. The absolute branching fraction of the decay $D_s^{+}$ → $π^+π^0π^0$ is measured to be (0.50 ± 0.04 stat ± 0.02 syst )%. The absolute branching fraction of the intermediate process $D_s^{+}$ → $f_o$(980)$π^+$, $f_o$(980) → $π^oπ^o$ is determined to be (0.28 ± 0.04 stat ± 0.04 syst )%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Amplitude analysis and branching fraction measurement of $D_s^+$ →$K^–K^+π^+π^+π^–$

Using $e^+e^–$ annihilation data corresponding to a total integrated luminosity of 6.32 fb –1 collected at the center-of-mass energies between 4.178 and 4.226 GeV with the BESIII detector, we perform an amplitude analysis of the decay $D_s^+$ →$K^–K^+π^+π^+π^–$ and determine the relative fractions and phases of different intermediate processes. Absolute branching fraction of $D_s^+$ →$K^–K^+π^+π^+π^–$ decay is measured to be (6.60 ± 0.47 stat. ± 0.38 syst. ) x 10 –3 . The dominant intermediate process is $D_s^+$ → $a_1$(1260) + $\phi, \phi$ → $K^–K^+ a_1$(1260) + → $ρπ^+$, $ρ → π^+π^–$, with a branching fraction of (5.15 ± 0.41 stat. ± 0.32 syst. ) x 10 –3 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Amplitude analysis and branching fraction measurement of the decay $\mathrm{D}_s^+$ → $\mathrm{K}^+π^+π^-π^0$

The singly Cabibbo-suppressed decay D$^+_s$ → K + π + π - π 0 is observed by using a data set corresponding to an integrated luminosity of 6.32 fb -1 recorded by the BESIII detector at the centre-of-mass energies between 4.178 and 4.226 GeV. The first amplitude analysis of D$^+_s$ → K + π + π - π 0 reveals the sub-structures in this decay and determines the fractions and relative phases of different intermediate processes. The dominant intermediate process is D$^+_s$ → K *0 ρ + , with a fit fraction of (40.5 ± 2.8 stat. ± 1.5 syst. )%. With the detection efficiency based on our amplitude analysis, the absolute branching fraction for D$^+_s$ → K + π + π - π 0 is measured to be (9.75 ± 0.54 stat. ± 0.17 syst. ) x 10 -3 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Amplitude analysis and branching fraction measurement of the decay D+ → ${\textrm{K}}_{\textrm{S}}^0$π + π 0 π 0

Using 2.93 fb-1 of e+e- collision data collected with the BESIII detector at the center-of-mass energy 3.773 GeV, we perform the first amplitude analysis of the decay D+ → ${K}^0_S$π + π 0 π 0 and determine the relative magnitudes and phases of different intermediate processes. The absolute branching fraction of D+ → ${K}^0_S$π + π 0 π 0 is measured to be (2.888 ± 0.058 stat. ± 0.069 syst. )%. The dominant intermediate processes are D+ → ${K}^0_S$a 1 (1260) + (→ ρ + π 0 ) and D+ → $\overline{K}$*0 ρ +, with branching fractions of (8.66 ± 1.04 stat. ± 1.39 syst. ) × 10 -3 and (9.70 ± 0.81 stat. ± 0.53 syst. ) × 10 -3 , respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Strong and fragile topological Dirac semimetals with higher-order Fermi arcs

Abstract Dirac and Weyl semimetals both exhibit arc-like surface states. However, whereas the surface Fermi arcs in Weyl semimetals are topological consequences of the Weyl points themselves, the surface Fermi arcs in Dirac semimetals are not directly related to the bulk Dirac points, raising the question of whether there exists a topological bulk-boundary correspondence for Dirac semimetals. In this work, we discover that strong and fragile topological Dirac semimetals exhibit one-dimensional (1D) higher-order hinge Fermi arcs (HOFAs) as universal, direct consequences of their bulk 3D Dirac points. To predict HOFAs coexisting with topological surface states in solid-state Dirac semimetals, we introduce and layer a spinful model of an s – d -hybridized quadrupole insulator (QI). We develop a rigorous nested Jackiw–Rebbi formulation of QIs and HOFA states. Employing ab initio calculations, we demonstrate HOFAs in both the room- ( α ) and intermediate-temperature ( α ″ ) phases of Cd 3 As 2 , KMgBi, and rutile-structure ( $$ \beta ^{\prime} $$ β ′ -) PtO 2 .

Science & Technology - Other Topics↗
DOE OSTI2020

Vortex guidance and transport in channeled pinning arrays

Here, we numerically examine vortices interacting with pinning arrays where a portion of the pinning sites have been removed in order to create coexisting regions of strong and weak pinning. The region without pinning sites acts as an easy-flow channel. For driving in different directions with respect to the channel, we observe distinct types of vortex flow. When the drive is parallel to the channel, the flow first occurs in the pin free region followed by a secondary depinning transition in the pinned region. At high vortex densities there is also an intermediate plastic flow phase due to the coupling between the weak and strong pinning regions. For driving applied perpendicular to the channel, we observe a jammed phase in which vortices accumulate on the boundary of the pinned region due to the vortex-vortex repulsion, while at higher drives the vortices begin to flow through the pinning array. For driving at an angle to the channel, depending on the filling we observe a drive-induced reentrant pinning effect as well as negative differential mobility which occurs when vortices move from the unpinned to the pinned portion of the sample.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Emergent moments in a Hund's impurity

Here, motivated by the relevance of Hund's coupling in the context of multiorbital superconductors, we revisit the problem of a multiorbital Kondo impurity with Hund's interaction. Using dynamical large-N techniques, we propose an efficient approach that retains the essential physics at play, while providing a pathway to scalable quantum impurity solvers. We are able to follow the ground state, dynamic, and thermodynamic properties of this system over many decades of temperature. Our approach captures the emergence of large moments and follows the stretched evolution of the physics down to their exponentially suppressed Kondo temperature. We focus our analysis on the intermediate finite temperature phase which presents an alternate paramagnetic state due to the emergent moment and discuss the relevance of this regime to Hund's metals.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Doping-driven resistive collapse of the Mott insulator in a minimal model for VO 2

Here we study the resistive collapse of the Mott insulator state in the dimer Hubbard model. This minimal model has been used to describe the physics of VO 2 , and should be relevant to other strongly correlated materials. It incorporates the physics of correlated dimers and the explicit competition between on-site Coulomb repulsion and magnetic exchange interactions. Our results unveil that between the Mott insulator at half filling and the Fermi liquid metal at high doping there is an intermediate bad metallic phase with exotic features such as a pseudogap, orbital selectivity, and a first-order metal-metal transition. The model is solved within dynamical mean field theory by means of quantum Monte Carlo, which provides the numerically exact solution of the model in the limit of large lattice dimensionality. This model can be considered as a minimal one that captures exotic phenomena associated to the physics of a doped Mott insulator, shading light on their basic physical mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Spin-reorientation transitions in the Cairo pentagonal magnet Bi 4 Fe 5 O 13 F

Here, we show that interlayer spins play a dual role in the Cairo pentagonal magnet Bi 4 Fe 5 O 13 F, on one hand mediating the three-dimensional magnetic order, and on the other driving spin-reorientation transitions both within and between the planes. The corresponding sequence of magnetic orders unraveled by neutron diffraction and Mössbauer spectroscopy features two orthogonal magnetic structures described by opposite local vector chiralities, and an intermediate, partly disordered phase with nearly collinear spins. A similar collinear phase has been predicted theoretically to be stabilized by quantum fluctuations, but Bi 4 Fe 5 O 13 F is very far from the relevant parameter regime. While the observed in-plane reorientation cannot be explained by any standard frustration mechanism, our ab initio band-structure calculations reveal strong single-ion anisotropy of the interlayer Fe 3+ spins that turns out to be instrumental in controlling the local vector chirality and the associated interlayer order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Magnetic field induced antiferromagnetic cone structure in multiferroic BiFeO 3

Neutron diffraction measurements were performed under high magnetic fields up to 17 T in a multiferroic BiFeO 3 single crystal, in which an intermediate magnetic (IM) phase has been found between the cycloid and canted antiferromagnetic phases [S. Kawachi et al., Phys. Rev. Mater. 1, 024408 (2017)]. We clearly found that the incommensurate magnetic peaks, which split perpendicular to the magnetic field in the cycloid phase, rotate by 90 deg to align parallel to the field in the IM phase. The magnetic structure in the IM phase can be best described by an antiferromagnetic cone (AF cone) structure. The transition from the cycloid to AF cone is of first order and the direction of the magnetic wave vector and the easy plane of the cycloidal component are rotated by 90 deg without changing the cycloidal modulation period, whereas the transition from the AF cone to canted antiferromagnetic phase is gradual and the cone angle becomes smaller gradually without changing the modulation period. Interestingly, the cycloidal component as well as the cone angle in the IM phase shows a large hysteresis between the field increasing and decreasing processes. Finally, this result, combined with the magnetostriction with a large hysteresis previously reported in the IM phase, suggests a strong magnetoelastic coupling.

36 MATERIALS SCIENCE↗