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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method

A framework for quantum state-to-state integral and differential cross sections of triatomic reactive scattering using the Multi-Configuration Time-Dependent Hartree (MCTDH) method is introduced, where a modified version of the Heidelberg MCTDH package is applied. Parity of the system is adopted using only non-negative helicity quantum numbers, which reduces the basis set size of the single particle functions in angular degree of freedom almost by half. The initial wave packet is constructed in the space-fixed frame, which can accurately account for the centrifugal potential. By using the reactant-coordinate-based method, the product state-resolved information can be accurately extracted. Test calculations are presented for the H + H{sub 2} reactive scattering. This work demonstrates the capability of the MCTDH method for extracting accurate state-to-state integral and differential cross sections. As an efficient scheme for high-dimensional problems, the MCTDH method may be promising for the study of product state-resolved cross sections for polyatomic reactive systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Seesaw theories at LHC and warm dark matter

Explaining the origin of neutrino masses clearly requires new physics beyond the Standard Model. I focus on the Seesaw paradigm and discuss a few simplest extensions of the SM that give Majorana masses to the active neutrinos. If realized at TeV scale, seesaw theories could manifest themselves in lepton number violating signatures at both low-energy processes and high-energy collider experiments. I summarize the constraints on the seesaw scales using the current LHC data. The left-right symmetric model connects the seesaw mechanism with the origin of parity symmetry breaking, and provides a unified framework for the simplest seesaw types. With new right-handed charged-current interactions, a TeV such model offers a plethora of new particles and exotic signatures at the LHC, and also accommodates a dark matter candidate, the lightest right-handed neutrino. A challenging question is the dark matter relic density which is typically over-produced in the early universe. The late decays of two heavier right-handed neutrinos can produce entropy and dilute the dark matter number. The key observation for this picture to work is the interplay between the freeze temperature of TeV right-handed gauge interaction and the QCD phase transition. The resulting dark matter mass is predicted to be around keV which makes the left-right model also a theory of warm dark matter. I will also comment on the fate of cosmic baryon asymmetry in this scenario.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Chirality-related interactions and a mirror symmetry violation in handed nano structures

Hindering of inversion transitions and a violation of mirror symmetry of the right- and left-handed configurations of diazabizyclooctane (dabco, N{sub 2}C{sub 6}H{sub 12}) enantiomers has been studied with low-temperature adiabatic calorimetry. The dabco molecules were sandwiched in a high-porous layered structure of a metal organic framework (MOF) compound. We show from the data of low-temperature adiabatic calorimetry and {sup 1}H NMR spin relaxation method that hindering of inversion transitions of dabco molecules cannot be associated with the influence of the intracrystalline self-consistent molecular field as a continuously monitoring environment within the quantum Zeno effect. In addition, lack of another manifestation of this effect associated with the collisional suppression of the inversion transitions in MOF samples impregnated by helium has been shown. These results lead to the conclusion that chiral polarization is related to the fundamental effect of parity nonconservation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Strain induced Z{sub 2} topological insulating state of β-As{sub 2}Te{sub 3}

Topological insulators are non-trivial quantum states of matter which exhibit a gap in the electronic structure of their bulk form, but a gapless metallic electronic spectrum at the surface. Here, we predict a uniaxial strain induced electronic topological transition (ETT) from a band to topological insulating state in the rhombohedral phase (space group: R3{sup ¯}m) of As{sub 2}Te{sub 3} (β-As{sub 2}Te{sub 3}) through first-principles calculations including spin-orbit coupling within density functional theory. The ETT in β-As{sub 2}Te{sub 3} is shown to occur at the uniaxial strain ϵ{sub zz} = −0.05 (σ{sub zz} = 1.77 GPa), passing through a Weyl metallic state with a single Dirac cone in its electronic structure at the Γ point. We demonstrate the ETT through band inversion and reversal of parity of the top of the valence and bottom of the conduction bands leading to change in the ℤ{sub 2} topological invariant ν{sub 0} from 0 to 1 across the transition. Based on its electronic structure and phonon dispersion, we propose ultra-thin films of As{sub 2}Te{sub 3} to be promising for use in ultra-thin stress sensors, charge pumps, and thermoelectrics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Large spin Seebeck effects in zigzag-edge silicene nanoribbons

Using the first-principles methods, we investigate the thermospin properties of a two-probe model based on zigzag-edge silicene nanoribbons (ZSiNRs). Compared with the odd-width ZSiNRs, the spin Seebeck coefficient of the even-width ZSiNRs is obviously enhanced at room temperature. This fact is attributed to a nearly perfect symmetry of the linear conductance gap with the different spin index with respect to the Fermi level induced by the different parity of the wave functions. More interestingly, the corresponding charge Seebeck coefficient is near zero. Therefore, when a thermal bias is presented in the even-width ZSiNRs, a nearly pure spin current is achieved. Meanwhile, the spin polarization of the current approaches infinite.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Transitional nuclei near shell closures

High spin states in Bismuth and Thallium nuclei near the Z = 82 shell closure and Cesium nuclei near the N = 82 shell closure in A = 190 and A = 130 regions, respectively, have been experimentally investigated using heavy-ion fusion evaporation reaction and by detecting the gamma rays using the Indian National Gamma Array (INGA). Interesting shape properties in these transitional nuclei have been observed. The results were compared with the neighboring nuclei in these two regions. The total Routhian surface (TRS) calculations have been performed for a better understanding of the observed properties. In mass region A = 190, a change in shape from spherical to deformed has been observd around neutron number N = 112 for the Bi (Z = 83) isotopes with proton number above the magic gap Z = 82, whereas, the shape of Tl (Z = 81) isotopes with proton number below the magic gap Z = 82 remains stable as a function of neutron number. An important transition from aplanar to planar configuration of angular momentum vectors leading to the occurance of nuclar chirality and magnetic rotation, respectively, has been proposed for the unique parity πh{sub 11/2}⊗νh{sub 11/2} configuration in Cs isotopes in the mass region A ∼ 130 around neutron number N = 79. These results are in commensurate with the TRS calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

High spin spectroscopy of near spherical nuclei: Role of intruder orbitals

High spin states of nuclei in the vicinity of neutron shell closure N = 82 and proton shell closure Z = 82 have been studied using the Clovere Ge detectors of Indian National Gamma Array. The shape driving effects of proton and neutron unique parity intruder orbitals for the structure of nuclei around the above shell closures have been investigated using light and heavy ion beams. Lifetime measurements of excited states in {sup 139}Pr have been done using pulsed-beam-γ coincidence technique. The prompt spectroscopy of {sup 207}Rn has been extended beyond the 181μs 13/2{sup +} isomer. Neutron-rich nuclei around {sup 132}Sn have been produced from proton induced fission of {sup 235}U and lifetime measurement of low-lying states of odd-odd {sup 132}I have been performed from offline decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Photon strength and the low-energy enhancement

Several measurements in medium mass nuclei have reported a low-energy enhancement in the photon strength function. Although, much effort has been invested in unraveling the mysteries of this effect, its physical origin is still not conclusively understood. Here, a completely model-independent experimental approach to investigate the existence of this enhancement is presented. The experiment was designed to study statistical feeding from the quasi-continuum (below the neutron separation energy) to individual low-lying discrete levels in {sup 95}Mo produced in the (d, p) reaction. A key aspect to successfully study gamma decay from the region of high-level density is the detection and extraction of correlated particle-gamma-gamma events which was accomplished using an array of Clover HPGe detectors and large area annular silicon detectors. The entrance channel excitation energy into the residual nucleus produced in the reaction was inferred from the detected proton energies in the silicon detectors. Gating on gamma-transitions originating from low-lying discrete levels specifies the state fed by statistical gamma-rays. Any particle-gamma-gamma event in combination with specific energy sum requirements ensures a clean and unambiguous determination of the initial and final state of the observed gamma rays. With these requirements the statistical feeding to individual discrete levels is extracted on an event-by-event basis. The results are presented and compared to {sup 95}Mo photon strength function data measured at the University of Oslo.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A cryogen-free ultralow-field superconducting quantum interference device magnetic resonance imaging system

Magnetic resonance imaging (MRI) at microtesla fields using superconducting quantum interference device (SQUID) detection has previously been demonstrated, and advantages have been noted. Although the ultralow-field SQUID MRI technique would not need the heavy superconducting magnet of conventional MRI systems, liquid helium required to cool the low-temperature detector still places a significant burden on its operation. We have built a prototype cryocooler-based SQUID MRI system that does not require a cryogen. The SQUID detector and the superconducting gradiometer were cooled down to 3.7 K and 4.3 K, respectively. We describe the prototype design, characterization, a phantom image, and areas of further improvements needed to bring the imaging performance to parity with conventional MRI systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Fully quantum state-resolved inelastic scattering of NO(X) + Kr: Differential cross sections and product rotational alignment

Fully quantum state selected and resolved inelastic scattering of NO(X) by krypton has been investigated. Initial Λ-doublet state selection is achieved using an inhomogeneous hexapole electric field. Differential cross sections and even-moment polarization dependent differential cross sections have been obtained at a collision energy of 514 cm{sup −1} for both spin-orbit and parity conserving and changing collisions. Experimental results are compared with those obtained from quantum scattering calculations and are shown to be in very good agreement. Hard shell quantum scattering calculations are also performed to determine the effects of the different parts of the potential on the scattering dynamics. Comparisons are also made with the NO(X) + Ar system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Nonlinear optical properties of bulk cuprous oxide using single beam Z-scan at 790 nm

The two-photon absorption (TPA) coefficient β and the nonlinear index of refraction n{sub 2} for bulk cuprous oxide (Cu{sub 2}O) direct gap semiconductor single crystal have been measured by using a balance-detection Z-scan single beam technique, with an excellent signal to noise ratio. Both coefficients were measured at 790 nm using a 65 fs laser pulse at a repetition rate of 90.9 MHz, generated by a Ti:Sapphire laser oscillator. The experimental values for β were explained by using a model that includes allowed-allowed, forbidden-allowed, and forbidden-forbidden transitions. It was found that the forbidden-forbidden transition is the dominant mechanism, which is consistent with the band structure of Cu{sub 2}O. The low value for β found in bulk, as compared with respect to thin film, is explained in terms of the structural change in thin films that result in opposite parities of the conduction and valence band. The n{sub 2} is also theoretically calculated by using the TPA dispersion curve and the Kramers-Kronig relations for nonlinear optics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Externally driven global Alfvén eigenmodes applied for effective mass number measurement on TCABR

The excitation and detection of Global Alfvén Eigenmodes on TCABR for diagnostic purposes are presented. The modes can be excited with one or two in-vessel antennae, with up to 15 A of current in each, in the frequency range from 2 to 4 MHz. This scheme allows the estimation of the effective mass number at the plasma center, which value is affected by impurity concentration in the core. An amplifier based on MOSFETs is used to excite the waves driven by low power, in order to not change the basic plasma parameters. The variation of the GAE with density is verified and the location of the mode resonance at the plasma center is confirmed by the sawtooth beating, so that the correspondingly beating phase inversion improves the precision on the resonant condition determination. The toroidal parity of the modes N = 1,2 is determined by use of two opposite located antennae with different phase of the RF current. Knowledge of toroidal mode number is important as it identifies GAE location and defines the estimated effective mass value. The estimated value for A{sub eff} is ∼1.4–1.5, corresponding to 5–7% of carbon impurity concentration. The measured value of A{sub eff} is used to estimate Z{sub eff}, which is compared to older TCA experiments and the value obtained by the Spitzer conductivity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

The ASACUSA Micromegas Tracker: A cylindrical, bulk Micromegas detector for antimatter research

The ASACUSA Micromegas Tracker (AMT; ASACUSA: Atomic Spectroscopy and Collisions Using Slow Antiprotons) was designed to be able to reconstruct antiproton-nucleon annihilation vertices in three dimensions. The goal of this device is to study antihydrogen formation processes in the ASACUSA cusp trap, which was designed to synthesise a spin-polarised antihydrogen beam for precise tests of Charge, Parity, and Time (CPT) symmetry invariance. This paper discusses the structure and technical details of an AMT detector built into such an environment, its data acquisition system and the first performance with cosmic rays.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Hyper-Rayleigh scattering in centrosymmetric systems

Hyper-Rayleigh scattering (HRS) is an incoherent mechanism for optical second harmonic generation. The frequency-doubled light that emerges from this mechanism is not emitted in a laser-like manner, in the forward direction; it is scattered in all directions. The underlying theory for this effect involves terms that are quadratic in the incident field and involves an even-order optical susceptibility (for a molecule, its associated hyperpolarizability). In consequence, HRS is often regarded as formally forbidden in centrosymmetric media. However, for the fundamental three-photon interaction, theory based on the standard electric dipole approximation, representable as E1{sup 3}, does not account for all experimental observations. The relevant results emerge upon extending the theory to include E1{sup 2}M1 and E1{sup 2}E2 contributions, incorporating one magnetic dipolar or electric quadrupolar interaction, respectively, to a consistent level of multipolar expansion. Both additional interactions require the deployment of higher orders in the multipole expansion, with the E1{sup 2}E2 interaction analogous in rank and parity to a four-wave susceptibility. To elicit the correct form of response from fluid or disordered media invites a tensor representation which does not oversimplify the molecular components, yet which can produce results to facilitate the interpretation of experimental observations. The detailed derivation in this work leads to results which are summarized for the following: perpendicular detection of polarization components both parallel and perpendicular to the pump radiation, leading to distinct polarization ratio results, as well as a reversal ratio for forward scattered circular polarizations. The results provide a route to handling data with direct physical interpretation, to enable the more sophisticated design of molecules with sought nonlinear optical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Women in physics in France

We present six associations and entities working in France on issues of women in physics: the Women and Physics Commission, French Physical Society; Women in Nuclear (WiN) France; Women and Science Association; Mission for the Place of Women at CNRS; Parity, Diversity, and Women Network, CEA; and the Network of University Equality-Diversity Representatives.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Bending self-collimated one-way light by using gyromagnetic photonic crystals

We theoretically demonstrate that electromagnetic waves can self-collimate and propagate unidirectionally in photonic crystals fabricated using semicylindrical ferrite rods in magnetized states. The parity and time-reversal symmetries of such photonic crystals are broken, resulting in a self-collimated one-way body wave within the photonic crystals. By applying the bias magnetic field in a complex configuration, the self-collimated one-way wave beam can be bent into arbitrary trajectories within the photonic crystal, providing an avenue for controlling wave beams.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Contribution of relativistic quantum chemistry to electron’s electric dipole moment for CP violation

The search for the electric dipole moment of the electron (eEDM) is important because it is a probe of Charge Conjugation-Parity (CP) violation. It can also shed light on new physics beyond the standard model. It is not possible to measure the eEDM directly. However, the interaction energy involving the effective electric field (E{sub eff}) acting on an electron in a molecule and the eEDM can be measured. This quantity can be combined with E{sub eff}, which is calculated by relativistic molecular orbital theory to determine eEDM. Previous calculations of E{sub eff} were not sufficiently accurate in the treatment of relativistic or electron correlation effects. We therefore developed a new method to calculate E{sub eff} based on a four-component relativistic coupled-cluster theory. We demonstrated our method for YbF molecule, one of the promising candidates for the eEDM search. Using very large basis set and without freezing any core orbitals, we obtain a value of 23.1 GV/cm for E{sub eff} in YbF with an estimated error of less than 10%. The error is assessed by comparison of our calculations and experiments for two properties relevant for E{sub eff}, permanent dipole moment and hyperfine coupling constant. Our method paves the way to calculate properties of various kinds of molecules which can be described by a single-reference wave function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Theoretical study of band structure of odd-mass {sup 115,117}I isotopes

By using the microscopic approach of Projected Shell Model (PSM), negative-parity band structures of odd mass neutron-rich {sup 115,117}I nuclei have been studied with the deformed single-particle states generated by the standard Nilsson potential. For these isotopes, the band structures have been analyzed in terms of quasi-particles configurations. The phenomenon of back bending in moment of inertia is also studied in the present work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗