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At least 649 records · Page 36

Optoelectronic and excitonic properties of oligoacenes and one-dimensional nanostructures.

The optoelectronic and excitonic properties in a series of linear acenes are investigated using range-separated methods within time-dependent density functional theory (TDDFT). In these highly-conjugated systems, we find that the range-separated formalism provides a substantially improved description of excitation energies compared to conventional hybrid functionals, which surprisingly fail for the various low-lying valence transitions. Moreover, we find that even if the percentage of Hartree-Fock exchange in conventional hybrids is re-optimized to match wavefunction-based CC2 benchmark calculations, they still yield serious errors in excitation energy trends. Based on an analysis of electron-hole transition density matrices, we also show that conventional hybrid functionals overdelocalize excitons and underestimate quasiparticle energy gaps in the acene systems. The results of the present study emphasize the importance of a range-separated and asymptotically-correct contribution of exchange in TDDFT for investigating optoelectronic and excitonic properties, even for these simple valence excitations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Solvent hold tank sample results for MCU-14-1172-1173: December 2014 monthly sample

SRNL received one set of SHT samples (MCU-14-1172-1173 pulled on 12/30/2014) for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-14-1172- 1173 indicated low concentrations of the suppressor (TiDG), of the extractant (MaxCalix), and of the modifier (CS-7SB) in the solvent relative to their nominal values. This analysis confirms a downward trend of these components. No impurities were found in this solvent. The laboratory will continue to monitor the quality of the solvent in particular for any new impurity or degradation of the solvent components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solvent Hold Tank Sample Results for MCU-15-129-130-131: January 2015 Monthly Sample

SRNL received one set of Solvent Hold Tank (SHT) samples (MCU-15-129, MCU-15-130, and MCU-15-131), pulled on 01/25/2015 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-15-129-130-131 indicated low concentrations of the suppressor (TiDG), of the extractant (MaxCalix), and of the modifier (CS-7SB) in the solvent relative to their nominal values. This analysis confirms a downward trend of these components. No impurities were found in this solvent. The laboratory will continue to monitor the quality of the solvent in particular for any new impurity or degradation of the solvent components.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

2017 Building Technologies Office Peer Review Report

The 2017 Building Technologies Office Peer Review Report summarizes the feedback submitted by reviewers for the 109 Building Technologies Office (BTO) projects presented at the 2017 BTO Peer Review. The report presents an overview of the goals and activities under each technology program area, a summary of project scores for each program, and a brief analysis of general evaluation trends within each program area or its constituent subprograms.

99 GENERAL AND MISCELLANEOUS↗

2016 Building Technologies Office Peer Review Report

The 2016 Building Technologies Office Peer Review Report summarizes the feedback submitted by reviewers of the 67 BTO projects presented at the 2016 BTO Peer Review. The report presents an overview of the goals and activities under each technology program area, a summary of project scores for each program, and a brief analysis of general evaluation trends within each program area or its constituent subprograms.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Annual Supply Chain for Photovoltaics (ASC-PV) in the United States: 2024 in Review

This report analyzes U.S. PV and BESS supply chains and costs in 2024, for PV module and battery technologies, structural and electrical balance of system (BOS) components, as well as PV recycling. The report concludes with an analysis of technology installation trends, government support for domestic manufacturing, manufacturing jobs, and the domestic content of PV systems installed in the United States in 2024.

14 SOLAR ENERGY↗

Genesis Mission-Enabled Secure AI to Fortify Energy Process Safety (Genesis-SAFE)

Argonne National Laboratory is supporting the U.S. Department of Transportation’s (USDOT’s) Bureau of Transportation Statistics (BTS) with collaborative research on development and application of privacy preserving AI frameworks that leverage unmatched AI expertise and secure computing resources made available through the U.S. Genesis Mission1 . This research advances U.S. energy security goals by supporting a safe offshore energy industry with secure, domain-specific AI tools to analyze confidential industry datasets collected by BTS to rapidly improve identification of hazards, precursors, and systemic safety risks in high-risk operational environments. The staged, security-first approach begins with development and testing of Argonne’s Genesis Mission-enabled Secure AI to Fortify Energy Process Safety (Genesis-SAFE) framework within Argonne’s accredited secure computing enclave (ABLE) leveraging Argonne’s AI scientific assistant substrate (AISAC). Methods to build synthetic datasets were developed together with BTS for use in preparing synthetic datasets that can be used to validate data containment, governance, and security controls in the ABLE environment. Future research directions would focus on applying the Genesis-SAFE framework to CIPSEA-protected datasets entirely within ABLE to support confidentiality-preserving analysis of safety risks, trends, and contributing factors.

Kim, Hyekyung [Argonne National Laboratory (ANL), ↗

U.S. Hydropower Development Pipeline Data, 2026

The U.S. Hydropower Development Pipeline dataset provides a comprehensive, regularly updated view of proposed and potential hydropower projects across the United States. This resource compiles information from federal agencies and other public sources to track non-powered dams considered for electrification, proposed hydropower facilities at stream reaches with no existing dams, conduit exemptions, and emerging pumped storage hydropower proposals. The dataset includes project characteristics such as location, development status, technology type, ownership category, and other attributes that support analysis of future hydropower trends. It is designed to help researchers, planners, policymakers, and stakeholders assess national‑scale development patterns, understand the evolving hydropower landscape, and explore opportunities and challenges associated with new hydropower deployment. The dataset is updated annually to reflect changes in project status, new proposals entering the pipeline, and projects that are cancelled, completed, or otherwise removed from active consideration. Note: Capacity additions to existing hydropower plants are not included in this database due to reliance on a proprietary data source.

Johnson, Megan [ORNL] (ORCID:0000000290141741)↗

A historical analysis of the co-evolution of gasoline octane number and spark-ignition engines

In our work, the authors reviewed engine, vehicle, and fuel data since 1925 to examine the historical and recent coupling of compression ratio and fuel antiknock properties (i.e., octane number) in the U.S. light-duty vehicle market. The analysis identified historical timeframes, trends, and illustrated how three factors: consumer preferences, technical capabilities, and regulatory legislation, affect personal mobility. Data showed that throughout history these three factors have a complex and time sensitive interplay. Long term trends in the data were identified where interaction and evolution between all three factors was observed. Transportation efficiency per unit power (gal/ton-mi/hp) was found to be a good metric to integrate technical, societal, and regulatory effects into the evolutional pathway of personal mobility. From this framework, discussions of future evolutionary changes to personal mobility are also presented.

33 ADVANCED PROPULSION SYSTEMS↗

Revisiting the Energy Budget of WASP-43b: Enhanced Day–Night Heat Transport

The large day–night temperature contrast of WASP-43b has so far eluded explanation. We revisit the energy budget of this planet by considering the impact of reflected light on dayside measurements and the physicality of implied nightside temperatures. Previous analyses of the infrared eclipses of WASP-43b have assumed reflected light from the planet is negligible and can be ignored. We develop a phenomenological eclipse model including reflected light, thermal emission, and water absorption, and we use it to fit published Hubble and Spitzer eclipse data. We infer a near-infrared geometric albedo of 24% ± 1% and a cooler dayside temperature of 1483 ± 10 K. Additionally, we perform light curve inversion on the three published orbital phase curves of WASP-43b and find that each suggests unphysical, negative flux on the nightside. By requiring non-negative brightnesses at all longitudes, we correct the unphysical parts of the maps and obtain a much hotter nightside effective temperature of 1076 ± 11 K. The cooler dayside and hotter nightside suggest a heat recirculation efficiency of 51% for WASP-43b, essentially the same as for HD 209458b, another hot Jupiter with nearly the same temperature. Our analysis therefore reaffirms the trend that planets with lower irradiation temperatures have more efficient day–night heat transport. Moreover, we note that (1) reflected light may be significant for many near-IR eclipse measurements of hot Jupiters, and (2) phase curves should be fit with physically possible longitudinal brightness profiles—it is insufficient to only require that the disk-integrated light curve be non-negative.

79 ASTRONOMY AND ASTROPHYSICS↗

Utilization of Skylab EREP system for appraising changes in continental migratory bird habitat

The author has identified the following significant results. Surface water statistics using data obtained by supporting aircraft were generated. Signature extraction and refinement preliminary to wetland and associated upland vegetation recognition were accomplished, using a selected portion of the aircraft data. Final classification mapping and analysis of surface water trends will be accomplished.

Gilmer, D. S.↗

Preferential concentration of certain elements in smaller aerosols emitted from aircraft engines

Aerosols from aircraft engines were collected with an eight-stage cascade sampler for a period of 24 h. The aerosol samples from each stage were analyzed for their elemental composition using the proton-induced X-ray emission (PIXE) technique. Seventeen elements (Si, P, S, Cl, K, Ca, Ti, V, Fe, Ni, Cu, Zn, Br, Sr, Nb, Sn, and Pb) were positively identified and quantitated at each stage. Six elements (S, Ca, Fe, Zn, Sn, and Pb) showed a fractional concentration increase with decreasing aerosol size. Similar, but less well-defined, trends were also observed for V and Ni. Silicon and chlorine, on the other hand, showed an opposite trend. Neutron-activation analysis of bulk aerosol samples collected every 2 h over the same period showed a correlation between concentration of Si, Ca, V, Ti, Zn, Br, and Sn and the density of air traffic at the airport. Analysis of the aviation-fuel samples by PIXE indicates that major fractions of Pb, Sn, Br, Zn, Ni, Fe, V, Ca, and S observed in these aerosol studies come from the aircraft engine exhaust.

Jolly, R. K.↗

Mean velocity and decay characteristics of the guidevane and stator blade wake of an axial flow compressor

Pure tone noise, blade row vibrations, and aerodynamic losses are phenomena which are influenced by stator and IGV (inlet guide vane) blade wake production, decay, and interaction in an axial-flow compressor. The objective of this investigation is to develop a better understanding of the nature of stator and IGV blade wakes that are influenced by the presence of centrifugal forces due to flow curvature. A single sensor hot wire probe was employed to determine the three mean velocity components of stator and IGV wakes of a single stage compressor. These wake profiles indicated a varying decay rate of the tangential and axial wake velocity components and a wake profile similarity. An analysis, which predicts this trend, has been developed. The radial velocities are found to be appreciable in both IGV and the stator wakes.

Lakshminarayana, B.↗

Landsat in the search for Appalachian hydrocarbons

A study has been conducted to determine the applicability of enhanced Landsat imagery for oil and gas exploration in Appalachia. Attention was given to the feasibility to employ lineaments identified on Landsat imagery as a tool in petroleum exploration. Lineaments, as defined in this connection, are linear or sublinear traces seen on Landsat imagery. They frequently reflect subsurface geological structures. The investigation was conducted in two stages. The first was designed to identify the specific Landsat imagery enhancement best suited for displaying lineaments. The second stage consisted of plotting lineaments and conducting an analysis of the lineament trends with regard to both local geological structure and regional tectonics. A close relationship was observed between lineaments identified on Landsat imagery and known oil and gas reservoirs. This result suggests that lineaments can be related to the structural control of oil and gas reservoirs throughout Appalachia.

Blodget, H. W.↗

Coupled rotor/airframe vibration analysis

A coupled rotor/airframe vibration analysis developed as a design tool for predicting helicopter vibrations and a research tool to quantify the effects of structural properties, aerodynamic interactions, and vibration reduction devices on vehicle vibration levels is described. The analysis consists of a base program utilizing an impedance matching technique to represent the coupled rotor/airframe dynamics of the system supported by inputs from several external programs supplying sophisticated rotor and airframe aerodynamic and structural dynamic representation. The theoretical background, computer program capabilities and limited correlation results are presented in this report. Correlation results using scale model wind tunnel results show that the analysis can adequately predict trends of vibration variations with airspeed and higher harmonic control effects. Predictions of absolute values of vibration levels were found to be very sensitive to modal characteristics and results were not representative of measured values.

Sopher, R.↗

Discrimination of a major stratospheric warming event in February-March 1984 from earlier minor warmings

As part of its responsibility for stratospheric monitoring, the Climate Analysis Center derives time trends of various dynamic parameters from NMC stratospheric analyses. Selected figures from this stratospheric monitoring data base are published in Climate Diagnostics Bulletin in March and October, after each hemispheric winter. During the Northern Hemisphere winter of December 1983-February 1984 several warming events may be seen in the plot of 60 deg. N zonal mean temperatures for 10 mb. Minor warmings may be noted in early December, late December, mid January and early February. A major warming with the 60 deg. N zonal mean temperatures reaching -40C is observed in late February, associated with a circulation reversal. In all of the minor warming episodes, there is a polarward movement of the Aleutian anticyclone; however, at 10 mb the North Pole remains in the cyclonic circulation of the stratospheric vortex which is not displaced far from its usual position. In the case of the later February major warming, the 10 mb circulation pattern over the North Pole is anticyclonic, and the cyclonic circulation has moved to the south and east with a considerable elongation. Cross sections of heat transport and momentum transport are not dramatically different for the minor and major warming episodes.

Johnson, K. W.↗

Volatile fractionation and tektite source material

The arguments used by Love and Woronow (1988) to assess the role played in the origin of bediasites by extensive volatile fractionation are critically examined. Using the ratios of 'refractory' oxides, CaO, Al2O3, and MgO, to the 'volatile' oxides, Na2O and K2O, these authors concluded that vapor fractionation did not play a significant role. In this paper, experimental evidence is presented that shows that the assumption of volatility for the alkali elements (as least with respect to silica) to be not valid under the conditions under which tektites formed. It is shown that the results of vapor fractionation in experiments on glasses of tektite composition are approximately parallel the trends seen in bediasite analysis.

Walter, Louis S.↗

Extreme value statistics analysis of fracture strengths of a sintered silicon nitride failing from pores

Statistical analysis and correlation between pore-size distribution and fracture strength distribution using the theory of extreme-value statistics is presented for a sintered silicon nitride. The pore-size distribution on a polished surface of this material was characterized, using an automatic optical image analyzer. The distribution measured on the two-dimensional plane surface was transformed to a population (volume) distribution, using the Schwartz-Saltykov diameter method. The population pore-size distribution and the distribution of the pore size at the fracture origin were correllated by extreme-value statistics. Fracture strength distribution was then predicted from the extreme-value pore-size distribution, usin a linear elastic fracture mechanics model of annular crack around pore and the fracture toughness of the ceramic. The predicted strength distribution was in good agreement with strength measurements in bending. In particular, the extreme-value statistics analysis explained the nonlinear trend in the linearized Weibull plot of measured strengths without postulating a lower-bound strength.

Chao, Luen-Yuan↗