Response to comment on `Hydrogen bonds in crystalline D-alanine: diffraction and spectroscopic evidence for differences between enantiomers'
No abstract provided.
36 MATERIALS SCIENCE↗
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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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Socioeconomic Effects of Pension Spending: Evidence from Spain
The purpose of this study is to provide broader understanding of the significant role that the pension system has in the Spanish economy by estimating the sectoral production, employment and income sustained by pensioners' consumption. Based on input-output tables by the World Input-Output Database and consumption data from the Household Budget Survey by the Spanish Statistical Office, a demoeconomic model is applied to quantify the direct impacts, indirect impacts from interindustry links and induced impacts from income-consumption connections over a nine-year period (2006–2014). Then, the factors driving the evolution of total output, employment and value added during such period have been examined by using structural decomposition analysis. The growing participation of consumption by pensioner households in final demand had proven crucial during the 2008 crisis to alleviate the negative trend in production and employment derived from the collapse in consumption suffered by the rest of households. Determining the underlying factors driving changes in both employment and income during the 2008 crisis can be of interest in political decision-making on the sustainability of the Spanish pension system. The results of estimating both the employment and income supported by pensioners' consumption reveal the significant stabilizing effect of the public spending on pensions, particularly during the 2008 crisis. The current Spanish approach of attaining the pension system sustainability by merely reducing social protection costs ignores the adverse consequences of a lower pensioners' demand. This paper addresses an alternative view in which pension spending is not considered a burden on economic growth but rather a means of improving the level of production and employment.
employment↗
User Role Identification in Software Vulnerability Discussions over Social Networks
Understanding and early awareness of software vulnerabilities is vital for preventing and mitigating potential impacts from cybersecurity events. One step toward early characterization of software vulnerabilities may involve analyzing discussion and spread of information in online social networks. Prior work has used information from such discussions over multiple online forums to develop dynamic networks among users followed by analysis of structure, spread, and information evolution. In this work, we advance the state-of-the-art by focusing on data-driven learning of types, roles, and transition of roles exhibited by users over time. In social networks, users take on particular roles based on their actions and structure of the network. Identifying “meaningful” roles can help separate potential users of interest from the larger community, and identify patterns in a network. We will identify and compare roles found in online forums (e.g., Twitter) using techniques such as feature-based Non-negative Matrix Factorization coupled with topological and influence-based measures of centrality. Since users’ activities change over time, we also analyze role evolution in dynamic networks.
Jones, Rebecca D.↗
Probing Plasticity and Strain-Rate Effects of Indium Submicron Pillars Using Synchrotron Laue X-ray Microdiffraction
We present that mechanical behaviors and especially the strain-rate responses at the nanoscales of low melting temperature metals, such as indium have not been much studied. Indium is one of the key materials or alloy-components in advanced microelectronics and nanotechnology industry, and understanding their mechanical behaviors at nanoscales becomes increasingly important to ensure lifetime reliability of their applications in novel nanoscale devices or advanced systems (for packaging at the nanoscales, for instance). Synchrotron X-ray microdiffraction has been utilized to examine defect structures of nanoscale materials as well as their strain-rate responses. Nanoscale or advanced microelectronics packaging, for instance, require acceptable levels of drop test results. For these low melting temperature materials especially, this technique offers a unique advantage as conventional methods such as TEM and EBSD will expose the structure to high energy electron beams that may significantly alter the microstructure and defect structure during analysis. Using this approach, we found interesting differences in term of X-ray peak broadening after deformation with different strain rates, which could indicate differences in plasticity mechanisms in the submicron pillars of indium, which could be important for its applications in nanodevices. Finally, understanding these differences could lead to better control of mechanical properties of low melting temperature metals at the nanoscales and thus have important implications for nanodevice reliability.
36 MATERIALS SCIENCE↗
The P aracoccus denitrificans N ar K ‐like nitrate and nitrite transporters—probing nitrate uptake and nitrate/nitrite exchange mechanisms
Summary Nitrate and nitrite transport across biological membranes is often facilitated by protein transporters that are members of the major facilitator superfamily. Paracoccus denitrificans contains an unusual arrangement whereby two of these transporters, NarK1 and NarK2, are fused into a single protein, NarK, which delivers nitrate to the respiratory nitrate reductase and transfers the product, nitrite, to the periplasm. Our complementation studies, using a mutant lacking the nitrate/proton symporter NasA from the assimilatory nitrate reductase pathway, support that NarK1 functions as a nitrate/proton symporter while NarK2 is a nitrate/nitrite antiporter. Through the same experimental system, we find that Escherichia coli NarK and NarU can complement deletions in both narK and nasA in P. denitrificans , suggesting that, while these proteins are most likely nitrate/nitrite antiporters, they can also act in the net uptake of nitrate. Finally, we argue that primary sequence analysis and structural modelling do not readily explain why NasA, NarK1 and NarK2, as well as other transporters from this protein family, have such different functions, ranging from net nitrate uptake to nitrate/nitrite exchange.
59 BASIC BIOLOGICAL SCIENCES↗
Consideration of Thermal Embrittlement in Alloy 316H for Advanced Non-Light Water Reactor Applications
To construct advanced non-light water reactors (ANLWRs) operating in the temperature range above that for the traditional light water reactors (LWRs), Alloy 316H is one of the candidate materials because of its inexpensiveness, significant service experience, and qualification for nuclear applications by the American Society of Mechanical Engineers (ASME). However, during the life span at temperatures expected for the ANLWRs, the alloy is likely to experience thermal embrittlement that has not been a concern for the traditional LWRs. To prepare for the development, the possibility of adverse thermal embrittlement effects on Alloy 316H performance in the ANLWRs must be evaluated and a technical basis regarding thermal embrittlement, if necessary, must be established for structural integrity analysis to provide reasonable assurance of adequate nuclear safety protection.In this paper, current technical basis for nuclear applications of Alloy 316H deterioration from thermal aging is briefly introduced. The likelihood of adverse thermal embrittlement effects on Alloy 316H performance is evaluated through historical data on microstructural and mechanical property evolution. Characterization of thermal embrittlement is then discussed, followed by a review of predictive models and trend curves for alloy embrittlement. Based on the review and evaluation, technical gaps for addressing thermal embrittlement issues are identified and gap-filling actions are recommended for establishing a technical basis to enable adequate consideration of thermal embrittlement in Alloy 316H applications to the ANLWRs.
Ren, Weiju↗
Improvement in detection limit for time-of-flight SIMS analysis of dopants in GaN structures
Not Available
Klump, Andrew↗
SU-F-J-85: Evaluation of the Velocity Deformable Image Registration Algorithm
Purpose: To perform validation and commissioning of a commercial deformable image registration (DIR) algorithm (Velocity, Varian Medical Systems) for numerous clinical sites using single and multi-modality images. Methods: In this retrospective study, the DIR algorithm was evaluated for 10 patients in each of the following body sites: head and neck (HN), prostate, liver, and gynecological (GYN). HN DIRs were evaluated from planning (p)CT to re-pCT and pCTs to daily CBCTs using dice similarity coefficients (DSC) of corresponding anatomical structures. Prostate DIRs were evaluated from pCT to CBCTs using DSC and target registration error (TRE) of implanted RF beacons within the prostate. Liver DIRs were evaluated from pMR to pCT using DSC and TRE of vessel bifurcations. GYN DIRs were evaluated between fractionated brachytherapy MRIs using DSC of corresponding anatomical structures. Results: Analysis to date has given average DSCs for HN pCT-to-(re)pCT DIR for the brainstem, cochleas, constrictors, spinal canal, cord, esophagus, larynx, parotids, and submandibular glands as 0.88, 0.65, 0.67, 0.91, 0.77, 0.69, 0.77, 0.87, and 0.71, respectively. Average DSCs for HN pCT-to-CBCT DIR for the constrictors, spinal canal, esophagus, larynx, parotids, and submandibular glands were 0.64, 0.90, 0.62, 0.82, 0.75, and 0.69, respectively. For prostate pCT-to-CBCT DIR the DSC for the bladder, femoral heads, prostate, and rectum were 0.71, 0.82, 0.69, and 0.61, respectively. Average TRE using implanted beacons was 3.35 mm. For liver pCT-to-pMR, the average liver DSC was 0.94 and TRE was 5.26 mm. For GYN MR-to-MR DIR the DSC for the bladder, sigmoid colon, GTV, and rectum were 0.79, 0.58, 0.67, and 0.76, respectively. Conclusion: The Velocity DIR algorithm has been evaluated over a number of anatomical sites. This work functions to document the uncertainties in the DIR in the commissioning process so that these can be accounted for in the development of downstream clinical processes. This work was supported in part by a co-development agreement with Varian Medical Systems.
60 APPLIED LIFE SCIENCES↗
Experimental realization of neutron helical waves
Methods of preparation and analysis of structured waves of light, electrons, and atoms have been advancing rapidly. Despite the proven power of neutrons for material characterization and studies of fundamental physics, neutron science has not been able to fully integrate these techniques because of small transverse coherence lengths, the relatively poor resolution of spatial detectors, and low fluence rates. Here, we demonstrate methods that are practical with the existing technologies and show the experimental achievement of neutron helical wavefronts that carry well-defined orbital angular momentum values. We discuss possible applications and extensions to spin-orbit correlations and material characterization techniques.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Structural architecture of TolQ-TolR inner membrane protein complex from opportunistic pathogen Acinetobacter baumannii
Gram-negative bacteria harness the proton motive force (PMF) within their inner membrane (IM) to uphold cell envelope integrity, an indispensable aspect for both division and survival. The IM TolQ-TolR complex is the essential part of the Tol-Pal system, serving as a conduit for PMF energy transfer to the outer membrane. Here we present cryo–electron microscopy reconstructions ofAcinetobacter baumanniiTolQ in apo and TolR-bound forms at atomic resolution. The apo TolQ configuration manifests as a symmetric pentameric pore, featuring a transmembrane funnel leading toward a cytoplasmic chamber. In contrast, the TolQ-TolR complex assumes a proton nonpermeable stance, characterized by the TolQ pentamer’s flexure to accommodate the TolR dimer, where two protomers undergo a translation-based relationship. Our structure-guided analysis and simulations support the rotor-stator mechanism of action, wherein the rotation of the TolQ pentamer harmonizes with the TolR protomers’ interplay. These findings broaden our mechanistic comprehension of molecular stator units empowering critical functions within the Gram-negative bacterial cell envelope.
Science & Technology - Other Topics↗
The direct and indirect drivers shaping RNA viral communities in grassland soils
ABSTRACT Recent studies have revealed diverse RNA viral communities in soils. Yet, how environmental factors influence soil RNA viruses remains largely unknown. Here, we recovered RNA viral communities from bulk metatranscriptomes sequenced from grassland soils managed for 5 years under multiple environmental conditions including water content, plant presence, cultivar type, and soil depth. More than half of the unique RNA viral contigs (64.6%) were assigned with putative hosts. About 74.7% of these classified RNA viral contigs are known as eukaryotic RNA viruses suggesting eukaryotic RNA viruses may outnumber prokaryotic RNA viruses by nearly three times in this grassland. Of the identified eukaryotic RNA viruses and the associated eukaryotic species, the most dominant taxa were Mitoviridae with an average relative abundance of 72.4%, and their natural hosts, Fungi with an average relative abundance of 56.6%. Network analysis and structural equation modeling support that soil water content, plant presence, and type of cultivar individually demonstrate a significant positive impact on eukaryotic RNA viral richness directly as well as indirectly on eukaryotic RNA viral abundance via influencing the co-existing eukaryotic members. A significant negative influence of soil depth on soil eukaryotic richness and abundance indirectly impacts soil eukaryotic RNA viral communities. These results provide new insights into the collective influence of multiple environmental and community factors that shape soil RNA viral communities and offer a structured perspective of how RNA virus diversity and ecology respond to environmental changes. IMPORTANCE Climate change has been reshaping the soil environment as well as the residing microbiome. This study provides field-relevant information on how environmental and community factors collectively shape soil RNA communities and contribute to ecological understanding of RNA viral survival under various environmental conditions and virus-host interactions in soil. This knowledge is critical for predicting the viral responses to climate change and the potential emergence of biothreats.
59 BASIC BIOLOGICAL SCIENCES↗
Structural features and the microscopic dynamics of the three-component Zr{sub 47}Cu{sub 46}Al{sub 7} system: Equilibrium melt, supercooled melt, and amorphous alloy
The structural and dynamic properties of the three-component Zr{sub 47}Cu{sub 46}Al{sub 7} system are subjected to a molecular dynamics simulation in the temperature range T = 250–3000 K at a pressure p = 1.0 bar. The temperature dependences of the Wendt–Abraham parameter and the translation order parameter are used to determine the glass transition temperature in the Zr{sub 47}Cu{sub 46}Al{sub 7} system, which is found to be T{sub c} ≈ 750 K. It is found that the bulk amorphous Zr{sub 47}Cu{sub 46}Al{sub 7} alloy contains localized regions with an ordered atomic structures. Cluster analysis of configuration simulation data reveals the existence of quasi-icosahedral clusters in amorphous metallic Zr–Cu–Al alloys. The spectral densities of time radial distribution functions of the longitudinal (C̃{sub L}(k, ω)) and transverse (C̃{sub T}(k, ω)) fluxes are calculated in a wide wavenumber range in order to study the mechanisms of formation of atomic collective excitations in the Zr{sub 47}Cu{sub 46}Al{sub 7} system. It was found that a linear combination of three Gaussian functions is sufficient to reproduce the (C̃{sub L}(k, ω)) spectra, whereas at least four Gaussian contributions are necessary to exactly describe the (C̃{sub T}(k, ω)) spectra of the supercooled melt and the amorphous metallic alloy. It is shown that the collective atomic excitations in the equilibrium melt at T = 3000 K and in the amorphous metallic alloy at T = 250 K are characterized by two dispersion acoustic-like branches related with longitudinal and transverse polarizations.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Analysis of the exchange magnetic structure in Pb{sub 3}Mn{sub 7}O{sub 15}
The indirect-coupling model is used to analyze the exchange magnetic structure of Pb{sub 3}Mn{sub 7}O{sub 15} in the hexagonal setting. The ratios of manganese ions Mn{sup 4+}/Mn{sup 3+} in each nonequivalent position are determined. Pb{sub 3}(Mn{sub 0.95}Ge{sub 0.05}){sub 7}O{sub 15} and Pb{sub 3}(Mn{sub 0.95}Ga{sub 0.05}){sub 7}O{sub 15} single crystals are grown by the solution–melt method in order to test the validity of the proposed model. The structural and magnetic properties of the single crystals are studied. The magnetic properties of the grown single crystals are compared with those of nominally pure Pb{sub 3}Mn{sub 7}O{sub 15}.
36 MATERIALS SCIENCE↗
Polarization Effects in Optical Second Harmonic Generation from Chiral Nanostructures
The main experimental results that have been recently obtained for the linear and nonlinear optical responses of ordered two-dimensional arrays of planar chiral metallic nanostructures are considered. These experimental results demonstrate that the polarization state of the linear and nonlinear optical responses of metasurfaces are substantially determined by the chirality of a single nanoelement and the related spatial distribution of the optical second harmonic generation intensity. As a result, circular dichroism effects appear in the linear and nonlinear optical responses of a chiral metasurface. The anisotropy of the second harmonic is experimentally shown to play a substantial role in the effects of extrinsic chirality, which is determined by the spatial symmetry of an array of nanoelements. The main properties of circular dichroism in the quadratic optical response are supported by numerical calculations and symmetry analysis of structures.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Elucidating Cathode Degradation Mechanisms in LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811)/Graphite Cells Under Fast Charge Rates Using Operando Synchrotron Characterization
Li-ion batteries capable of extreme fast charging (XFC) are in demand to facilitate widespread electric vehicle (EV) adoption. While the impact of fast charge on the negative electrode has been studied, degradation of state-of-the-art NMC811 under XFC conditions has not been studied in detail. Herein, cathode degradation is probed in NMC811/graphite batteries by analysis of structural and chemical changes for recovered samples previously cycled under XFC conditions and during typical cycling. NMC surface reconstruction, as determined by soft X-ray absorption, was not detected for recovered electrodes. Furthermore, bulk redox activity from X-ray absorption near edge structure measurements showed more change in the oxidation state of Ni and Co under the 1C charge rate compared to the 4C rate consistent with the electrochemistry. Increased unit cell volume contraction under the 1C rate as determined by operando X-ray diffraction suggests that higher charge rates may provide a protective effect on the cathode by reducing structural distortion due to less delithiation.
25 ENERGY STORAGE↗
Core–skin debonding detection in honeycomb sandwich structures through guided wave wavefield analysis
Not provided.
Materials Science↗
Utah FORGE: Final Topical Report 2018
This is the final topical report for the Phase 2B Utah FORGE project, which is located near Roosevelt Hot Springs, Utah. This PDF format report details results associated with the conceptual geologic model, deep well 58-32, rock geomechanics, reservoir temperatures, seismic surveys, seismic monitoring, certainty, and NEPA. The report also provides an overview of all of the deliverables which were used to produce the results and full appendices.
15 GEOTHERMAL ENERGY↗