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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Enhanced photocatalytic degradation of methylene blue dye under UV-sunlight irradiation by cesium doped chromium oxide thin films

Highlights: • Cs doped thin films has been prepared by the low- cost spray pyrolysis technique. • Enhanced photocatalytic activity of Cr2O3 thin films for MB photogegradation(MB) dye was achieved through Cs doping. • 6 % Cs doped Cr{sub 2}O{sub 3} thin film photocatalyst with the merits of low band gap and more oxygen vacancies, exhibits the highest sun-light photocatalytic activity. • High photostability and recyclability was achieved under sun-light irradiation. - Abstract: The present contribution highlights the photocatalytic degradation of methylene blue dye over chromium oxide Cr{sub 2}O{sub 3} thin films based photocatalysts illuminated by ultraviolet and sunlight. Cr{sub 2}O{sub 3} photocatalyst was synthesized as thin film by the spray pyrolysis method on glass substrate at temperature of 350 °C. The physical properties of the thin films were studied by X-ray diffraction, scanning electron microscopy (SEM), infrared spectroscopy (IR), Raman spectroscopy, photoluminescence (PL) probing and UV–vis spectroscopy. XRD results showed that all samples were well crystallized with rhomoboedric curudum structure. Emissions of all films have been observed in visible region at 325 nm excitation. UV–vis-NIR spectrophotometry analysis showed that the band gap energy value of chromium oxide is shortened with cesium doping. Results indicate that both the cesium doping and the introduction of oxygen vacancies promote good photocatalytic activity of Cs doped Cr{sub 2}O{sub 3} thin films under sunlight for MB degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Room temperature giant magnetostriction in single-crystal nickel nanowires

Magnetostriction is the emergence of a mechanical deformation induced by an external magnetic field. The conversion of magnetic energy into mechanical energy via magnetostriction at the nanoscale is the basis of many electromechanical systems such as sensors, transducers, actuators, and energy harvesters. However, cryogenic temperatures and large magnetic fields are often required to drive the magnetostriction in such systems, rendering this approach energetically inefficient and impractical for room-temperature device applications. Here, we report the experimental observation of giant magnetostriction in single-crystal nickel nanowires at room temperature. We determined the average values of the magnetostrictive constants of a Ni nanowire from the shifts of the measured diffraction patterns using the 002 and 111 Bragg reflections. At an applied magnetic field of 600 Oe, the magnetostrictive constants have values of λ 100 = -0.161% and λ 111 = -0.067%, two orders of magnitude larger than those in bulk nickel. Using Bragg coherent diffraction imaging (BCDI), we obtained the three-dimensional strain distribution inside the Ni nanowire, revealing nucleation of local strain fields at two different values of the external magnetic field. Our analysis indicates that the enhancement of the magnetostriction coefficients is mainly due to the increases in the shape, surface-induced, and stress-induced anisotropies, which facilitate magnetization along the nanowire axis and increase the total magnetoelastic energy of the system.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters

Converting biomass-based feedstocks into polymers not only reduces our reliance on fossil fuels, but also furnishes multiple opportunities to design biorenewable polymers with targeted properties and functionalities. Here we report a series of high glass transition temperature (T g up to 184°C) polyesters derived from sugar-based furan derivatives as well as a joint experimental and theoretical study of substituent effects on their thermal properties. Surprisingly, we find that polymers with moderate steric hindrance exhibit the highest T g values. Through a detailed Ramachandran-type analysis of the rotational flexibility of the polymer backbone, we find that additional steric hindrance does not necessarily increase chain stiffness in these polyesters. We attribute this interesting structure-property relationship to a complex interplay between methyl-induced steric strain and the concerted rotations along the polymer backbone. We believe that our findings provide key insight into the relationship between structure and thermal properties across a range of synthetic polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Revealing quantum effects in highly conductive δ-layer systems

Abstract Thin, high-density layers of dopants in semiconductors, known as δ -layer systems, have recently attracted attention as a platform for exploration of the future quantum and classical computing when patterned in plane with atomic precision. However, there are many aspects of the conductive properties of these systems that are still unknown. Here we present an open-system quantum transport treatment to investigate the local density of electron states and the conductive properties of the δ -layer systems. A successful application of this treatment to phosphorous δ -layer in silicon both explains the origin of recently-observed shallow sub-bands and reproduces the sheet resistance values measured by different experimental groups. Further analysis reveals two main quantum-mechanical effects: 1) the existence of spatially distinct layers of free electrons with different average energies; 2) significant dependence of sheet resistance on the δ -layer thickness for a fixed sheet charge density.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Unique reactivity of B in B[Ge 9 Y 3 ] 3 (Y = H, CH 3 , BO, CN): formation of a Lewis base

Boron compounds usually exhibit Lewis acidity at the boron center due to the presence of vacant p-orbitals. We show that this chemistry can be altered by an appropriate choice of ligands to decorate the boron center. To elucidate this effect, we studied the interactions of boron with two classes of ligands, one based on penta-substituted phenyl species (C 6 X 5 , X = F, BO, CN) and the other based on Zintl-ion-based groups (Ge 9 Y 3 , Y = H, CH 3 , BO, CN). An in-depth analysis of the charges and Fukui function values at the local atomic sites of the substituted boron derivatives B(C 6 X 5 ) 3 and B[Ge 9 Y 3 ] 3 shows that the B-center in the former is electrophilic, while it is nucleophilic in the latter. The chemical stability of the B[Ge 9 Y 3 ] 3 species is shown to be due to the presence of strong 2c-2e bonds between the B and Ge centers. Thus, the general notion of the Lewis acid nature of a boron center depends upon the choice of the ligand.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Convective mixing in vertically-layered porous media: The linear regime and the onset of convection

In this paper, we study the effect of permeability heterogeneity on the stability of gravitationally unstable, transient, diffusive boundary layers in porous media. Permeability is taken to vary periodically in the horizontal plane normal to the direction of gravity. In contrast to the situation for vertical permeability variation, the horizontal perturbation structures are multimodal. We therefore use a two-dimensional quasi-steady eigenvalue analysis as well as a complementary initial value problem to investigate the stability behavior in the linear regime, until the onset of convection. We find that thick permeability layers enhance instability compared with thin layers when heterogeneity is increased. On the contrary, for thin layers the instability is weakened progressively with increasing heterogeneity to the extent that the corresponding homogeneous case is more unstable. For high levels of heterogeneity, we find that a small change in the permeability field results in large variations in the onset time of convection, similar to the instability event in the linear regime. However, this trend does not persist unconditionally because of the reorientation of vorticity pairs due to the interaction of evolving perturbation structures with heterogeneity. Consequently, an earlier onset of instability does not necessarily imply an earlier onset of convection. A resonant amplification of instability is observed within the linear regime when the dominant perturbation mode is equal to half the wavenumber of permeability variation. On the other hand, a substantial damping occurs when the perturbation mode is equal to the harmonic and sub-harmonic components of the permeability wavenumber. Finally, the phenomenon of such harmonic interactions influences both the onset of instability as well as the onset of convection.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Evaluation of emission contributions from charge-exchange between the excited states of deuterium with He + during diagnostic of thermal helium gas beam injection and laser-induced fluorescence

Emission contributions from charge-exchange of excited deuterium ( n = 2, 3) with He + are evaluated in a1-D kinetic collisional radiative model in order to analyze their effects on the Thermal Helium Beam (THB) line-ratio diagnostic on ASDEX Upgrade and Laser Induced Fluorescence (LIF) He I density measurements in ITER. Recent charge-exchange calculations show that cross sections from excited deuterium ( n = 2, 3) with He + are over 4-orders of magnitude higher than those from the ground state ( n = 1) and occur at very low energies where they are more likely to interact with the thermal He + ions introduced by ionization of the diagnostic helium gas-puff injection. Higher densities of excited deuterium are typically present in the Scrape-Off Layer (SOL), divertor, and edge regions of tokamaks, where the LIF and THB helium diagnostics are typically used for n HeI and simultaneous determination of electron temperatures and densities and where contributions from charge-exchange emission may offset these values if not taken into account. The analysis presented in this work shows that due to the higher density of deuterium in the ground rather than in excited states and the divergent behavior of deuterium and He + density profiles along the SOL and edge regions, the deuterium-He + charge-exchange contributions to the helium puff emission are 3-orders of magnitude lower than those from electron-impact excitation. Similar plasma conditions are expected in the ITER divertor, with the exception that in the area near the strike-points and targets, the electron temperature is not high enough to excite from the ground state but deuterium, electron, and He + densities are high enough to dominate the emission from charge-exchange and recombination. These findings strengthen the assumption made in the present line-ratio model that helium emission from gas-puff into plasma is mainly dominated by electron-excitation. It is also shown that, in general, charge-exchange helium emission is 2-orders of magnitude higher than the emission due to recombination. Finally, these findings suggest the importance of including charge-exchange processes as a source of neutrals in ionic fractional abundance calculations in plasmas and helium-ash transport modeling in fusion reactors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Low- n global ideal MHD instabilities in the CFETR baseline scenario

This article reports an evaluation on the linear ideal magnetohydrodynamic (MHD) stability of the China Fusion Engineering Test Reactor (CFETR) baseline scenario for various first-wall locations. The initial-value code NIMROD and eigen-value code AEGIS are employed in this analysis. Despite the distinctly different approaches in modeling the scrape off layer region, the dominant growth in each of the low-n (n=1–10) modes are consistent between the two codes. We report the higher-n modes are dominated by ballooning modes and localized in the pedestal region, while the lower-n modes have more prominent external kink components and broader mode profiles. The influence of the plasma-vacuum profile and wall shape are also examined using NIMROD. In the presence of a resistive wall, the low-n ideal MHD instabilities are further studied using AEGIS. For the designed first-wall location, the n=1 resistive wall mode is found to be unstable, which could be fully stabilized by uniform toroidal rotation above the 2.9% core Alfven speed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Simple inhomogeneous cosmological (toy) models

Based on the Lemaître-Tolman-Bondi (LTB) metric we consider two flat inhomogeneous big-bang models. We aim at clarifying, as far as possible analytically, basic features of the dynamics of the simplest inhomogeneous models and to point out the potential usefulness of exact inhomogeneous solutions as generalizations of the homogeneous configurations of the cosmological standard model. We discuss explicitly partial successes but also potential pitfalls of these simplest models. Although primarily seen as toy models, the relevant free parameters are fixed by best-fit values using the Joint Light-curve Analysis (JLA)-sample data. On the basis of a likelihood analysis we find that a local hump with an extension of almost 2 Gpc provides a better description of the observations than a local void for which we obtain a best-fit scale of about 30 Mpc. Future redshift-drift measurements are discussed as a promising tool to discriminate between inhomogeneous configurations and the ΛCDM model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Statistical properties of filaments in the cosmic web

ABSTRACT In the context of the cosmological and constrained Exploring the Local Universe with the reConstructed Initial Density field (ELUCID) simulation, this study explores the statistical characteristics of filaments within the cosmic web, focussing on aspects such as the distribution of filament lengths and their radial density profiles. Using the classification of the cosmic web environment through the Hessian matrix of the density field, our primary focus is on how cosmic structures react to the two variables $R_{\rm s}$ and $\lambda _{\rm th}$. The findings show that the volume fractions of knots, filaments, sheets, and voids are highly influenced by the threshold parameter $\lambda _{\rm th}$, with only a slight influence from the smoothing length $R_{\rm s}$. The central axis of the cylindrical filament is pinpointed using the medial-axis thinning algorithm of the COsmic Web Skeleton (COWS) method. It is observed that median filament lengths tend to increase as the smoothing lengths increase. Analysis of filament length functions at different values of $R_{\rm s}$ indicates a reduction in shorter filaments and an increase in longer filaments as $R_{\rm s}$ increases, peaking around $2.5R_{\rm s}$. The study also shows that the radial density profiles of filaments are markedly affected by the parameters $R_{\rm s}$ and $\lambda _{\rm th}$, showing a valley at approximately $2R_{\rm s}$, with increases in the threshold leading to higher amplitudes of the density profile. Moreover, shorter filaments tend to have denser profiles than their longer counterparts.

Zhang, Youcai (ORCID:0000000319674091)↗
DOE OSTI2022

Electronic and topological properties of the van der Waals layered superconductor PtTe

We report the crystal growth and structural and electronic properties of superconducting, van der Waals layered PtTe. Easily cleavable crystals with a platelike morphology consistent with the layered structure were grown from a platinum-rich flux. A consistent determination of T c = 0.57 K is made from the onset of diamagnetism, the zero of resistivity, and the midpoint of the heat-capacity jump. The observed behavior is consistent with type-II superconductivity, with upper critical field at T = 0 estimated using the Werthamer-Helfand-Hohenberg theory to be 143 and 65 Oe for fields out of and in the plane, respectively. The heat-capacity discontinuity is close to the weak-coupling BCS value. Density-functional theory calculations and analysis of the electronic structure finds that PtTe is a topological semimetal with numerous surface states but suggests that the superconducting state itself may be topologically trivial. Additionally, angle-resolved photoemission spectroscopy reveals a normal-state Fermi surface in remarkable agreement with theory and confirms the overall topological nature of the material by experimental identification of the surface bands. Together, these findings identify PtTe as an interesting example of a cleavable, topological, and superconducting material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Benchmark study of the two-dimensional Hubbard model with auxiliary-field quantum Monte Carlo method

Ground-state properties of the Hubbard model on a two-dimensional square lattice are studied by the auxiliary-field quantum Monte Carlo method. Accurate results for energy, double occupancy, effective hopping, magnetization, and momentum distribution are calculated for interaction strengths of U/t from 2 to 8, for a range of densities including half-filling and n = 0.3,0.5,0.6, 0.75, and 0.875. At half-filling, the results are numerically exact. Away from half-filling, the constrained path Monte Carlo method is employed to control the sign problem. Our results are obtained with several advances in the computational algorithm, which are described in this paper in detail. We discuss the advantages of generalized Hartree-Fock trial wave functions and its connection to pairing wave functions, as well as the interplay with different forms of Hubbard-Stratonovich decompositions. We study the use of different twist angle sets when applying the twist averaged boundary conditions. We propose the use of quasirandom sequences, which improves the convergence to the thermodynamic limit over pseudorandom and other sequences. With it and a careful finite size scaling analysis, we are able to obtain accurate values of ground-state properties in the thermodynamic limit. Detailed results for finite-sized systems up to 16 × 16 are also provided for benchmark purposes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Decay spectroscopy of the blocked fission product 130 $\mathrm{I}$

We report numerous applications rely on the identification and quantification of fission products with the activation technique, where γ-rays emitted in the decay are used to estimate the initial activity of the radionuclide of interest. 130 I is a so-called blocked fission product, which can be produced only directly through fission, a property that makes it particularly attractive for nuclear forensics. A source of 130 I was produced using a (p,n) reaction on enriched 130 Te at the Brookhaven Tandem Van de Graaff and its decay was studied with Gammasphere at Argonne National Laboratory. Two new levels were identified, and over 25 transitions were added, removed or re-placed in the level scheme, with intensity measurements made down to I γ = 0.00066 per 100 decays. The uncertainty on the intensities of the strongest transitions, those that are commonly used to quantify the activity of the radionuclide, was improved by a factor of 2 compared to the previous best assessment and discrepancies in the literature values were resolved. A detailed angular correlation analysis further permitted the determination of a number of spin assignments for excited levels and mixing ratios for γ-ray transitions

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Magnetic moment and lifetime measurements of Coulomb-excited states in Cd 106

The Cd isotopes are well studied, but experimental data for the rare isotopes are sparse. At energies above the Coulomb barrier, higher states become accessible. Remeasure and supplement existing lifetimes and magnetic moments of low-lying states in 106 Cd. Methods: In an inverse kinematics reaction, a 106 Cd beam impinging on a 12 C target was used to Coulomb excite the projectiles. The high recoil velocities provide a unique opportunity to measure g factors with the transient-field technique and to determine lifetimes from lineshapes by using the Doppler-shift-attenuation method. Large-scale shell-model calculations were carried out for 106 Cd. As a result, the g factors of the 2 + 1 and 4 + 1 states in 106 Cd were measured to be g(2 + 1 ) = +0.398(22) and g(4 + 1 ) = +0.23(5). A lineshape analysis yielded lifetimes in disagreement with published values. The new results are τ( 106 Cd; 2 + 1 ) = 7.0(3) ps and τ( 106 Cd; 4 + 1 ) = 2.5(2) ps. The mean life τ( 106 Cd; 2 + 2 ) = 0.28(2) ps was determined from the fully-Doppler-shifted γ line. Mean lives of τ( 106 Cd; 4 + 3 ) = 1.1(1) ps and τ( 106 Cd; 3 – 1 ) = 0.16(1) ps were determined for the first time. In conclusion, the newly measured g(4 + 1 ) of 106 Cd is found to be only 59% of the g(2 + 1 ). This difference cannot be explained by either shell-model or collective-model calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Search for the nonresonant production of Higgs boson pairs via gluon fusion and vector-boson fusion in the $b\bar{b}$τ + τ – final state in proton-proton collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for the nonresonant production of Higgs boson pairs in the HH → $b\overline{b}$$\tau^{+}\tau^{-}$ channel is performed using 140 fb -1 of proton-proton collisions at a center-of-mass energy of 13 TeV recorded by the ATLAS detector at the CERN Large Hadron Collider. The analysis strategy is optimized to probe anomalous values of the Higgs boson self-coupling modifier $\kappa_{\tau}$ and of the quartic HHVV (v = W,Z) coupling modifier $\kappa$ 2⁢V . No significant excess above the expected background from Standard Model processes is observed. An observed (expected) upper limit μ HH < 5.9⁢(3.3) is set at 95% confidence-level on the Higgs boson pair production cross section normalized to its Standard Model prediction. The coupling modifiers are constrained to an observed (expected) 95% confidence interval of -3.1 <$\kappa_{\tau}$ < 9.0 (-2.5 < $\kappa_{\tau}$ < 9.3) and -0.5 <$\kappa$ 2⁢V < 2.7 (-0.2 <$\kappa$ 2⁢V < 2.4), assuming all other Higgs boson couplings are fixed to the Standard Model prediction. The results are also interpreted in the context of effective field theories via constraints on anomalous Higgs boson couplings and Higgs boson pair production cross sections assuming different kinematic benchmark scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Modeling Reference Cell Performance Using Measured and Modeled Spectral Data

The performance of several silicon-based reference cells is examined under clear skies on a horizontal and two-axis tracking surface during the winter of 2022. The ratio of the calculated reference cell output to the measured reference cell output is examined. For each reference cell, when using the measured spectral data, the ratio of the estimated to measured output varies by less than +/-0.6% at the P95 level. The analysis was also done using modeled spectral values obtained from the Bird spectrl2 model. The ratio between the estimated reference cell output using the modeled spectral values to the measured reference cell output varies by +/-1.1% at the P95 level.

angle of incidence↗
DOE OSTI2019

A Polytropic Approximation of Compressible Flow in Pipes With Friction

This paper demonstrates the usefulness of treating subsonic Fanno flow (adiabatic flow, with friction, of a perfect gas in a constant-area pipe) as a polytropic process. It is shown that the polytropic model allows an explicit equation for mass flow rate to be developed. The concept of the energy transfer ratio is used to develop a close approximation to the polytropic index. Explicit equations for mass flow rate and net expansion factor in terms of upstream properties and pressure ratio are developed for Fanno and isothermal flows. An approximation for choked flow is also presented. Here, the deviation of the results of this polytropic approximation from the values obtained from a traditional gas dynamics analysis of subsonic Fanno flow is quantified and discussed, and a typical design engineering problem is analyzed using the new method.

42 ENGINEERING↗
DOE OSTI2016

SU-F-T-250: What Does It Take to Correctly Assess the High Failure Modes of an Advanced Radiotherapy Procedure Such as Stereotactic Body Radiation Therapy?

Purpose: Assess the correct implementation of risk-based methodology of TG 100 to optimize quality management and patient safety procedures for Stereotactic Body Radiation Therapy. Methods: A detailed process map of SBRT treatment procedure was generated by a team of three physicists with varying clinical experience at our institution to assess the potential high-risk failure modes. The probabilities of occurrence (O), severity (S) and detectability (D) for potential failure mode in each step of the process map were assigned by these individuals independently on the scale from1 to 10. The risk priority numbers (RPN) were computed and analyzed. The highest 30 potential modes from each physicist’s analysis were then compared. Results: The RPN values assessed by the three physicists ranged from 30 to 300. The magnitudes of the RPN values from each physicist were different, and there was no concordance in the highest RPN values recorded by three physicists independently. The 10 highest RPN values belonged to sub steps of CT simulation, contouring and delivery in the SBRT process map. For these 10 highest RPN values, at least two physicists, irrespective of their length of experience had concordance but no general conclusions emerged. Conclusion: This study clearly shows that the risk-based assessment of a clinical process map requires great deal of preparation, group discussions, and participation by all stakeholders. One group albeit physicists cannot effectively implement risk-based methodology proposed by TG100. It should be a team effort in which the physicists can certainly play the leading role. This also corroborates TG100 recommendation that risk-based assessment of clinical processes is a multidisciplinary team effort.

60 APPLIED LIFE SCIENCES↗