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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Signature inversion in odd-odd {sup 114}Rh: First identification of high-spin states in very neutron-rich {sup 114}Rh and application of the triaxial projected shell model

High-spin excited states in the very neutron-rich nucleus {sup 114}Rh have been studied by examining the prompt {gamma} rays emitted in the spontaneous fission of {sup 252}Cf with the Gammasphere detector array. A high-spin level scheme of {sup 114}Rh has been established for the first time with 13 new levels. The level scheme is proposed to be built on a 7{sup -} state. The existence of a relatively large signature splitting and an yrare band show features which may indicate triaxial deformation. The phenomenon of signature inversion has been observed in {sup 114}Rh at I=12 ({h_bar}/2{pi}). The observed signature inversion of {sup 114}Rh is interpreted successfully in terms of the triaxial projected shell model. Theoretical calculations suggest that the negative-parity, yrast band of {sup 114}Rh has the two-quasi-particle configuration of {pi}g{sub 9/2} x {nu}h{sub 11/2}, consistent with the systematics of odd-odd Rh isotopes. The signature inversion at spin 12 ({h_bar}/2{pi}) may be attributed to the change of rotational mode, from quasi-particle aligned rotation at low spins to collective rotation at high spins.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Application of the Principle of Maximum Conformality to Top-Pair Production

A major contribution to the uncertainty of finite-order perturbative QCD predictions is the perceived ambiguity in setting the renormalization scale {mu}{sub r}. For example, by using the conventional way of setting {mu}{sub r} {element_of} [m{sub t}/2, 2m{sub t}], one obtains the total t{bar t} production cross-section {sigma}{sub t{bar t}} with the uncertainty {Delta}{sigma}{sub t{bar t}}/{sigma}{sub t{bar t}} {approx} (+3%/-4%) at the Tevatron and LHC even for the present NNLO level. The Principle of Maximum Conformality (PMC) eliminates the renormalization scale ambiguity in precision tests of Abelian QED and non-Abelian QCD theories. By using the PMC, all nonconformal {l_brace}{beta}{sub i}{r_brace}-terms in the perturbative expansion series are summed into the running coupling constant, and the resulting scale-fixed predictions are independent of the renormalization scheme. The correct scale-displacement between the arguments of different renormalization schemes is automatically set, and the number of active flavors n{sub f} in the {l_brace}{beta}{sub i}{r_brace}-function is correctly determined. The PMC is consistent with the renormalization group property that a physical result is independent of the renormalization scheme and the choice of the initial renormalization scale {mu}{sub r}{sup init}. The PMC scale {mu}{sub r}{sup PMC} is unambiguous at finite order. Any residual dependence on {mu}{sub r}{sup init} for a finite-order calculation will be highly suppressed since the unknown higher-order {l_brace}{beta}{sub i}{r_brace}-terms will be absorbed into the PMC scales higher-order perturbative terms. We find that such renormalization group invariance can be satisfied to high accuracy for {sigma}{sub t{bar t}} at the NNLO level. In this paper we apply PMC scale-setting to predict the t{bar t} cross-section {sigma}{sub t{bar t}} at the Tevatron and LHC colliders. It is found that {sigma}{sub t{bar t}} remains almost unchanged by varying {mu}{sub r}{sup init} within the region of [m{sub t}/4, 4m{sub t}]. The convergence of the expansion series is greatly improved. For the (q{bar q})-channel, which is dominant at the Tevatron, its NLO PMC scale is much smaller than the top-quark mass in the small x-region, and thus its NLO cross-section is increased by about a factor of two. In the case of the (gg)-channel, which is dominant at the LHC, its NLO PMC scale slightly increases with the subprocess collision energy {radical}s, but it is still smaller than m{sub t} for {radical} {approx}< 1 TeV, and the resulting NLO cross-section is increased by {approx}20%. As a result, a larger {sigma}{sub t{bar t}} is obtained in comparison to the conventional scale-setting method, which agrees well with the present Tevatron and LHC data. More explicitly, by setting m{sub t} = 172.9 {+-} 1.1 GeV, we predict {sigma}{sub Tevatron, 1.96 TeV} = 7.626{sub -0.257}{sup +0.265} pb, {sigma}{sub LHC, 7 TeV} = 171.8{sub -5.6}{sup +5.8} pb and {sigma}{sub LHC, 14 TeV} = 941.3{sub -26.5}{sup +28.4} pb.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Light-front holographic distribution amplitudes of pseudoscalar mesons and their application to B -meson decays

In this article the dynamical spin effects of the light-front holographic wave functions for light pseudoscalar mesons are studied. These improved wave functions are then confronted with a number of hadronic observables: the decay constants of π and K mesons, their ξ -moments, the pion-to-photon transition form factor, and the pure annihilation $\bar{B}_s$ → π + π - and $\bar{B}_d$ → K + K - decays. Taking f π , fK , and their ratio fK / f π as constraints, we perform a χ 2 analysis for the holographic parameters, including the mass scale parameter $\sqrtλ$ and the effective quark masses, and find that the fitted results are quite consistent with the ones obtained from the light-quark hadronic Regge trajectories. In addition, we also show that the end point divergence appearing in the pure annihilation $\bar{B}_s$ → π + π - and $\bar{B}_d$ → K + K - decays can be controlled well by using these improved light-front holographic distribution amplitudes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Ab-initio coupled-cluster effective interactions for the shell model: Application to neutron-rich oxygen and carbon isotopes

We derive and compute effective valence-space shell-model interactions from ab initio coupled-cluster theory and apply them to open-shell and neutron-rich oxygen and carbon isotopes. Our shell-model interactions are based on nucleon-nucleon and three-nucleon forces from chiral effective-field theory. We compute the energies of ground and low-lying states, and find good agreement with experiment. In particular, our computed 2 + states are consistent with N=14,16 shell closures in 22,24 O, and a weaker N=14 shell closure in 20 C. We find good agreement between our coupled-cluster effective-interaction results with those obtained from standard single-reference coupled-cluster calculations for up to eight valence neutrons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Spinon Fermi Surface in a Cluster Mott Insulator Model on a Triangular Lattice and Possible Application to 1 T –TaS 2

1T-TaS 2 is a cluster Mott insulator on the triangular lattice with 13 Ta atoms forming a star of David cluster as the unit cell. We derive a two-dimensional XXZ spin-1/2 model with a four-spin ring exchange term to describe the effective low energy physics of a monolayer 1T-TaS 2 , where the effective spin-1/2 degrees of freedom arises from the Kramers degenerate spin-orbital states on each star of David. Here, a large scale density matrix renormalization group simulation is further performed on this effective model and we find a gapless spin liquid phase with a spinon Fermi surface at a moderate to large strength region of the four-spin ring exchange term. All peaks in the static spin structure factor are found to be located on the “2k F ” surface of a half-filled spinon on the triangular lattice. Experiments to detect the spinon Fermi surface phase in 1T-TaS 2 are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Evaluating transition metal oxides within DFT-SCAN and SCAN + U frameworks for solar thermochemical applications

Using the strongly constrained and appropriately normed (SCAN) and SCAN+U approximations for describing electron exchange-correlation (XC) within density functional theory, we investigate the oxidation energetics, lattice constants, and electronic structure of binary Ce-, Mn-, and Fe-oxides, which are crucial ingredients for generating renewable fuels using two-step, oxide-based, solar thermochemical reactors. Unlike other common XC functionals, we find that SCAN does not over-bind the O 2 molecule, based on direct calculations of its bond energy and robust agreement between calculated formation enthalpies of main group oxides versus experiments. However, in the case of transition-metal oxides (TMOs), SCAN systematically overestimates (i.e., yields too negative) oxidation enthalpies due to remaining self-interaction errors in the description of their ground-state electronic structure. Adding a Hubbard U term to the transition-metal centers, where the magnitude of U is determined from experimental oxidation enthalpies, significantly improves the qualitative agreement and marginally improves the quantitative agreement of SCAN+U-calculated electronic structure and lattice parameters, respectively, with experiments. Importantly, SCAN predicts the wrong ground-state structure for a few oxides, namely, Ce 2 O 3 , Mn 2 O 3 , and Fe 3 O 4 , while SCAN+U predicts the right polymorph for all systems considered in this work. Furthermore, the SCAN+U framework, with an appropriately determined U, will be required to accurately describe ground-state properties and yield qualitatively consistent electronic properties for most transition-metal and rare earth oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗