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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Residual position errors of lymph node surrogates in breast cancer adjuvant radiotherapy: Comparison of two arm fixation devices and the effect of arm position correction

Residual position errors of the lymph node (LN) surrogates and humeral head (HH) were determined for 2 different arm fixation devices in radiotherapy (RT) of breast cancer: a standard wrist-hold (WH) and a house-made rod-hold (RH). The effect of arm position correction (APC) based on setup images was also investigated. A total of 113 consecutive patients with early-stage breast cancer with LN irradiation were retrospectively analyzed (53 and 60 using the WH and RH, respectively). Residual position errors of the LN surrogates (Th1-2 and clavicle) and the HH were investigated to compare the 2 fixation devices. The position errors and setup margins were determined before and after the APC to investigate the efficacy of the APC in the treatment situation. A threshold of 5 mm was used for the residual errors of the clavicle and Th1-2 to perform the APC, and a threshold of 7 mm was used for the HH. The setup margins were calculated with the van Herk formula. Irradiated volumes of the HH were determined from RT treatment plans. With the WH and the RH, setup margins up to 8.1 and 6.7 mm should be used for the LN surrogates, and margins up to 4.6 and 3.6 mm should be used to spare the HH, respectively, without the APC. After the APC, the margins of the LN surrogates were equal to or less than 7.5/6.0 mm with the WH/RH, but margins up to 4.2/2.9 mm were required for the HH. The APC was needed at least once with both the devices for approximately 60% of the patients. With the RH, irradiated volume of the HH was approximately 2 times more than with the WH, without any dose constraints. Use of the RH together with the APC resulted in minimal residual position errors and setup margins for all the investigated bony landmarks. Based on the obtained results, we prefer the house-made RH. However, more attention should be given to minimize the irradiation of the HH with the RH than with the WH.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2026

Resonance contributions to radiative corrections in charged-current elastic (anti)neutrino-nucleon scattering at GeV energies

We present the first evaluation of virtual resonance contributions to the charged-current elastic (anti)neutrino-nucleon scattering at GeV energies, focusing on the dominant Δ(1232) resonance. We approximate the vector part of the N → Δ transition by the leading magnetic dipole term. Our results for the cross-section corrections at fixed neutrino energy indicate the permille-level contribution of resonance intermediate states to the elastic and radiative scattering cross sections. This calculation exhibits the expected infrared behavior of the invariant amplitudes and unpolarized cross sections. Our findings provide important insights into inelastic excitations in the charged-current elastic (anti)neutrino-nucleon scattering at GeV energies.

Electroweak interaction↗
DOE OSTI2026

Improved nuclear-structure corrections to the hyperfine splitting of electronic and muonic deuterium

We calculate the nuclear-structure correction to the hyperfine splitting in both electronic and muonic deuterium using interactions from chiral effective field theory. We explore the sensitivity to different parameterizations of the nucleon-nucleon force, study the convergence pattern in the order-by-order chiral expansion, and estimate remaining uncertainties. Our results are consistent with earlier calculations from pionless effective field theory, offering new insights for a robust uncertainty quantification. Thanks to the order-of-magnitude reduction in uncertainty achieved with chiral effective field theory, the two-photon exchange contribution in electronic deuterium agrees with experimental extractions within 0.5σ, in contrast to the 2.6σ discrepancy observed in muonic deuterium. This study lays the groundwork for extending TPE calculations to HFS in heavier atomic systems.

Chiral effective field theory↗
DOE OSTI2020

Scattering of electron from a disk in 2D electron gas: Full cross section, transport cross section, and the interaction correction

It is known that the presence of the Fermi sea modifies the scattering of an electron from a point-like impurity. This is due to the Friedel oscillations of the electron density around the impurity. These oscillations create an additional scattering potential for incident electrons. The closer the energy of the incident electron to the Fermi level, the stronger the additional scattering. Here, we study this effect for the case when the impurity is not point-like but rather a hard disk, with a radius much bigger than the de Broglie wavelength. We start with a careful examination of the full and transport cross sections from an extended target. Both cross sections approach their limiting values upon increasing the wave vector of the incident electron. We establish that the transport cross section saturates much faster than the full cross section. With regard to the interaction correction, we establish that it vanishes for the full cross section, while for the transport cross section, it is enhanced compared to the case of a point-like scatterer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Correcting nonlinear drift distortion of scanning probe and scanning transmission electron microscopies from image pairs with orthogonal scan directions

Unwanted motion of the probe with respect to the sample is a ubiquitous problem in scanning probe and scanning transmission electron microscopies, causing both linear and nonlinear artifacts in experimental images. We have designed a procedure to correct these artifacts by using orthogonal scan pairs to align each measurement line-by-line along the slow scan direction, by fitting contrast variation along the lines. We demonstrate the accuracy of our algorithm on both synthetic and experimental data and provide an implementation of our method.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Author Correction: Signatures of the topological s+- superconducting order parameter in the type-II Weyl semimetal Td-MoTe2

The original version of this article omitted the following from the Acknowledgements: “CAM and AL were supported by the NSF MRSEC program through Columbia in the Center for Precision Assembly of Superstratic and Superatomic Solids (DMR-1420634). Additionally, this research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under ‘Contract No. DE-AC02-05CH11231’.” This has now been corrected in both the PDF and HTML versions of the article.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2013

Self-interaction corrected density functional calculations of molecular Rydberg states

A method is presented for calculating the wave function and energy of Rydberg excited states of molecules. A good estimate of the Rydberg state orbital is obtained using ground state density functional theory including Perdew-Zunger self-interaction correction and an optimized effective potential. The total energy of the excited molecule is obtained using the Delta Self-Consistent Field method where an electron is removed from the highest occupied orbital and placed in the Rydberg orbital. Results are presented for the first few Rydberg states of NH{sub 3}, H{sub 2}O, H{sub 2}CO, C{sub 2}H{sub 4}, and N(CH{sub 3}){sub 3}. The mean absolute error in the energy of the 33 molecular Rydberg states presented here is 0.18 eV. The orbitals are represented on a real space grid, avoiding the dependence on diffuse atomic basis sets. As in standard density functional theory calculations, the computational effort scales as NM{sup 2} where N is the number of orbitals and M is the number of grid points included in the calculation. Due to the slow scaling of the computational effort with system size and the high level of parallelism in the real space grid approach, the method presented here makes it possible to estimate Rydberg electron binding energy in large molecules.

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

Quantum corrections to temperature dependent electrical conductivity of ZnO thin films degenerately doped with Si

ZnO thin films degenerately doped with Si (Si{sub x}Zn{sub 1−x}O) in the concentrations range of ∼0.5% to 5.8% were grown by sequential pulsed laser deposition on sapphire substrates at 400 °C. The temperature dependent resistivity measurements in the range from 300 to 4.2 K revealed negative temperature coefficient of resistivity (TCR) for the 0.5%, 3.8%, and 5.8% doped Si{sub x}Zn{sub 1−x}O films in the entire temperature range. On the contrary, the Si{sub x}Zn{sub 1−x}O films with Si concentrations of 1.0%, 1.7%, and 2.0% showed a transition from negative to positive TCR with increasing temperature. These observations were explained using weak localization based quantum corrections to conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The adsorption of h-BN monolayer on the Ni(111) surface studied by density functional theory calculations with a semiempirical long-range dispersion correction

The geometric and spin-resolved electronic structure of a h-BN adsorbed Ni(111) surface has been investigated by density functional theory calculations. Two energy minima (physisorption and chemisorption) are obtained when the dispersive van der Waals correction is included. The geometry of N atom on top site and B atom on fcc site is the most energetically favorable. Strong hybridization with the ferromagnetic Ni substrate induces considerable gap states in the h-BN monolayer. The induced π* states are spin-polarized.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effects, determination, and correction of count rate nonlinearity in multi-channel analog electron detectors

Detector counting rate nonlinearity, though a known problem, is commonly ignored in the analysis of angle resolved photoemission spectroscopy where modern multichannel electron detection schemes using analog intensity scales are used. We focus on a nearly ubiquitous “inverse saturation” nonlinearity that makes the spectra falsely sharp and beautiful. These artificially enhanced spectra limit accurate quantitative analysis of the data, leading to mistaken spectral weights, Fermi energies, and peak widths. We present a method to rapidly detect and correct for this nonlinearity. This algorithm could be applicable for a wide range of nonlinear systems, beyond photoemission spectroscopy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Region of validity of the finite–temperature Thomas–Fermi model with respect to quantum and exchange corrections

We determine the region of applicability of the finite–temperature Thomas–Fermi model and its thermal part with respect to quantum and exchange corrections. Very high accuracy of computations has been achieved by using a special approach for the solution of the boundary problem and numerical integration. We show that the thermal part of the model can be applied at lower temperatures than the full model. Also we offer simple approximations of the boundaries of validity for practical applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

The importance of matched poloidal spectra to error field correction in DIII-D

Optimal error field correction (EFC) is thought to be achieved when coupling to the least-stable “dominant” mode of the plasma is nulled at each toroidal mode number (n). The limit of this picture is tested in the DIII-D tokamak by applying superpositions of in- and ex-vessel coil set n = 1 fields calculated to be fully orthogonal to the n = 1 dominant mode. In co-rotating H-mode and low-density Ohmic scenarios, the plasma is found to be, respectively, 7× and 20× less sensitive to the orthogonal field as compared to the in-vessel coil set field. For the scenarios investigated, any geometry of EFC coil can thus recover a strong majority of the detrimental effect introduced by the n = 1 error field. Despite low sensitivity to the orthogonal field, its optimization in H-mode is shown to be consistent with minimizing the neoclassical toroidal viscosity torque and not the higher-order n = 1 mode coupling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

In situ observation on hydrogenation of Mg-Ni films using environmental transmission electron microscope with aberration correction

In situ transmission electron microscopy (TEM) was performed to observe the hydrogenation of Mg-Ni films in a hydrogen atmosphere of 80–100 Pa. An aberration-corrected environmental TEM with a differential pumping system allows us to reveal the Angstrom-scale structure of the films in the initial stage of hydrogenation: first, nucleation and growth of Mg{sub 2}NiH{sub 4} crystals with a lattice spacing of 0.22 nm in an Mg-rich amorphous matrix of the film occurs within 20 s after the start of the high-resolution observation, then crystallization of MgH{sub 2} with a smaller spacing of 0.15 nm happens after approximately 1 min. Our in situ TEM method is also applicable to the analysis of other hydrogen-related materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Toward accurate thermochemistry of the {sup 24}MgH, {sup 25}MgH, and {sup 26}MgH molecules at elevated temperatures: Corrections due to unbound states

The total partition functions Q(T) and their first two moments Q{sup ′}(T) and Q{sup ″}(T), together with the isobaric heat capacities C{sub p}(T), are computed a priori for three major MgH isotopologues on the temperature range of T = 100–3000 K using the recent highly accurate potential energy curve, spin-rotation, and non-adiabatic correction functions of Henderson et al. [J. Phys. Chem. A 117, 13373 (2013)]. Nuclear motion computations are carried out on the ground electronic state to determine the (ro)vibrational energy levels and the scattering phase shifts. The effect of resonance states is found to be significant above about 1000 K and it increases with temperature. Even very short-lived states, due to their relatively large number, have significant contributions to Q(T) at elevated temperatures. The contribution of scattering states is around one fourth of that of resonance states but opposite in sign. Uncertainty estimates are given for the possible error sources, suggesting that all computed thermochemical properties have an accuracy better than 0.005% up to 1200 K. Between 1200 and 2500 K, the uncertainties can rise to around 0.1%, while between 2500 K and 3000 K, a further increase to 0.5% might be observed for Q{sup ″}(T) and C{sub p}(T), principally due to the neglect of excited electronic states. The accurate thermochemical data determined are presented in the supplementary material for the three isotopologues of {sup 24}MgH, {sup 25}MgH, and {sup 26}MgH at 1 K increments. These data, which differ significantly from older standard data, should prove useful for astronomical models incorporating thermodynamic properties of these species.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: Theory, implementation, and examples

We propose a new elegant strategy to implement third order triples correction in the light of many-body perturbation theory to the Fock space multi-reference coupled cluster method for the ionization problem. The computational scaling as well as the storage requirement is of key concerns in any many-body calculations. Our proposed approach scales as N{sup 6} does not require the storage of triples amplitudes and gives superior agreement over all the previous attempts made. This approach is capable of calculating multiple roots in a single calculation in contrast to the inclusion of perturbative triples in the equation of motion variant of the coupled cluster theory, where each root needs to be computed in a state-specific way and requires both the left and right state vectors together. The performance of the newly implemented scheme is tested by applying to methylene, boron nitride (B{sub 2}N) anion, nitrogen, water, carbon monoxide, acetylene, formaldehyde, and thymine monomer, a DNA base.

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

Relativistic corrections to the Moyal-Weyl spacetime

We use the framework of quantum field theory to obtain by deformation the Moyal-Weyl spacetime. This idea is extracted from recent progress in deformation theory concerning the emergence of the quantum plane of the Landau-quantization. The quantum field theoretical emerging spacetime is not equal to the standard Moyal-Weyl plane, but terms resembling relativistic corrections occur.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Correction of steel casing effect for density log using numerical and experimental methods in the slim borehole

Density log is widely applied for a variety of fields such as the petroleum exploration, mineral exploration, and geotechnical survey. The logging condition of density log is normally open holes but there are frequently cased boreholes. The primary calibration curve by slim hole logging manufacturer is normally the calibration curves for the variation of borehole diameter. In this study, we have performed the correction of steel casing effects using numerical and experimental methods. We have performed numerical modeling using the Monte Carlo N-Particle (MCNP) code based on Monte Carlo method, and field experimental method from open and cased hole log. In this study, we used the FDGS (Formation Density Gamma Sonde) for slim borehole with a 100 mCi 137Cs source, three inch borehole and steel casing. The casing effect between numerical and experimental method is well matched.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗