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At least 289 records · Page 16

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DOE OSTI2011

Transient photoconductivity in polymer bulk heterojunction solar cells. Competition between sweep-out and recombination

Transient photoconductivity measurements carried out on bulk heterojunction (BHJ) solar cells demonstrate the competition between carrier sweep-out by the internal field and the loss of photogenerated carriers by recombination. The transient photoconductance data imply the existence of a well-defined internal field; carrier sweep-out is proportional to the magnitude of the internal field and limited by the carrier mobility. At external voltages near open circuit where the internal field approaches zero, the photocurrent decays because of the recombination of photogenerated mobile carriers. Mobility and recombination lifetimes are evaluated for carriers in poly[3-hexylthiophene] (P3HT): [6,6]-phenyl-C 61 -butyric acid methyl ester (PC 60 BM) and poly[N -9''-hepta-decanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT): [6,6]-phenyl-C 71 -butyric acid methyl ester (PC 71 BM) solar cells.

14 SOLAR ENERGY↗

DOE OSTI2011

Core excitation contributions to the breakup of the one-neutron halo nucleus {sup 11}Be on a proton

The effect of the core excitation in the breakup of a one-neutron halo nucleus is studied within two different reaction formalisms, namely, the core excited model and the single-scattering approximation of the three-body Faddeev-Alt-Grassberger-Sandhas equations with target-core potential allowing for the core excitation. As an example, we consider the breakup of {sup 11}Be on a proton target at 63.7 MeV/nucleon incident energy and calculate the semi-inclusive cross section in the excitation energy interval E{sub x}=3.0-5.5 MeV (E{sub rel}=2.5-5 MeV) containing the 3/2{sup +} resonance with dominant contribution of the {sup 10}Be(2{sup +}) core excited state. The effect of the core excitation to the breakup cross section integrated around this resonance is found to be very significant. Moreover, when resonant and nonresonant contributions are added, the resulting semi-inclusive cross section is in reasonable agreement with the existing data, demonstrating the relevance of the core excitation mechanism for this observable. The present calculations also show the importance of incorporating the energy dependence of the core-target transition operators in the reaction formalism.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2011

Resonant breakup of {sup 19}C on a proton target

The resonant breakup of {sup 19}C on a proton target at 70 MeV/nucleon is analyzed using Faddeev-Alt, Grassberger, Sandhas (Faddeev-AGS) and continuum-discretized coupled-channels (CDCC) reaction frameworks, where in both cases a three-body model ({sup 18}C+n+p) for the reaction is considered. Taking a {sup 18}C + p potential from a global nucleon-nucleus parametrization and a L-independent Gaussian proton-neutron potential, both methods provide very similar results for the calculated observables. However, when this simplified proton-neutron potential is replaced by the more realistic CD-Bonn potential, the breakup cross section, calculated with the Faddeev AGS formalism, decreases by almost one order of magnitude, largely underestimating the experimental data. From this calculation, we conclude that, within a core + valence neutron model, the single-particle mechanism gives a negligible contribution to the calculated resonant breakup and therefore core-excitation mechanisms should be taken into account.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

Theory of two-meson photo- and electroproduction off the nucleon

Using the reaction γN → ππN as the paradigmatic topological framework, a field-theoretical description of the electromagnetic production of two pseudoscalar mesons off the nucleon is derived and applied to photo- and electroproduction processes, assuming only one-photon exchange for the latter. The dynamics of all explicit three-point interaction mechanisms of the ππN system is accounted for by the Faddeev-type ordering structure of the Alt-Grassberger-Sandhas equations. The modifications necessary for incorporating n-meson vertices for n ≥ 4 are discussed. The formulation is valid for hadronic two-point and three-point functions dressed by arbitrary (even nonlinear) internal mechanisms provided all associated electromagnetic currents are constructed to satisfy their respective (generalized) Ward-Takahashi identities. Coupling the photon to the Faddeev structure of the underlying hadronic two-pion production mechanisms results in a natural expansion of the full two-pion photoproduction current $M$$^{μ}_{ππ}$ in terms of multiple dressed loops involving two-body subsystem scattering amplitudes of the ππN system that preserves gauge invariance as a matter of course order by order in the number of (dressed) loops. A closed-form expression is presented for the entire gauge-invariant current $M$$^{μ}_{ππ}$ with complete three-body dynamics. Individually gauge-invariant truncations of the full dynamics most relevant for practical applications at the no-loop, one-loop, and two-loop levels are discussed in detail. An approximation scheme to the full two-meson amplitude for calculational purposes is also presented. It approximates, systematically, the full amplitude to any desired order of expansion in the underlying hadronic two-body amplitude. Furthermore, it allows for the approximate incorporation of all neglected higher-order mechanisms in terms of a locally gauge-invariant phenomenological remainder current.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2017

Determination of active layer morphology in all-polymer photovoltaic cells

This paper investigates the structure of films spin-coated from blends of the semiconducting polymers poly(3-hexylthiophene-2,5-diyl) (P3HT) and poly{2,6-[4,4-bis-(2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b']dithiophene]-alt-4,7(2,1,3-benzothiadiazole)} (PCPDTBT). Such blends are of potential use in all-polymer solar cells in which both the acceptor and the donor material generate excitons to contribute to the photocurrent. Prompted by threefold performance gains seen in polymer/fullerene and polymer blend solar cells upon addition of pristine graphene, devices are prepared from P3HT/PCPDTBT blends both with and without graphene. This report focuses on the morphology of the active layer since this is of critical importance in determining performance. Small-angle neutron scattering (SANS) is utilized to study this polymer blend with deuterated P3HT to provide contrast and permit the investigation of buried structure in neat and graphene-doped films. SANS reveals the presence of P3HT crystallites dispersed in an amorphous blend matrix of P3HT and PCPDTBT. The crystallites are approximately disc shaped and do not show any evidence of higher-order structure or aggregation. While the structure of the films does not change with the addition of graphene, there is a perceptible effect on the electronic properties and energy conversion efficiency in solar cells made from such films. Finally, determination of the active layer morphology yields crucial insight into structure–property relationships in organic photovoltaic devices.

14 SOLAR ENERGY↗

DOE OSTI2024

Establishing reference ranges for circulating biomarkers of drug‐induced liver injury in healthy human volunteers 1

Aims The potential of mechanistic biomarkers to improve prediction of drug‐induced liver injury (DILI) and hepatic regeneration is widely acknowledged. We sought to determine reference intervals for new biomarkers of DILI and regeneration, as well as to characterize their natural variability and impact of diurnal variation. Methods Serum samples from 227 healthy volunteers were recruited as part of a cross‐sectional study; of these, 25 subjects had weekly serial sampling over 3 weeks, while 23 had intensive blood sampling over a 24h period. Alanine aminotransferase (ALT), MicroRNA‐122 (miR‐122), High Mobility Group Box‐1 (HMGB1), total Keratin‐18 (K18), caspase‐cleaved Keratin‐18 (ccK18), Glutamate Dehydrogenase (GLDH) and Macrophage Colony‐Stimulating Factor‐1 (CSF‐1) were assayed. Results Reference intervals were established for each biomarker based on the 97.5% quantile (90% CI) following the assessment of fixed effects in univariate and multivariable models. Intra‐individual variability was found to be non‐significant, and there was no significant impact of diurnal variation. Conclusion Reference intervals for novel DILI biomarkers have been described. An upper limit of a reference range might represent the most appropriate mechanism to utilize these data. These data can now be used to interpret data from exploratory clinical DILI studies and to assist their further qualification as required by regulatory authorities.

Jorgensen, Andrea L. [Department of Health Data Sc↗

DOE OSTI2022

Clinical practice gaps and challenges in non‐alcoholic steatohepatitis care: An international physician needs assessment

Abstract Background and aims Even as several pharmacological treatments for non‐alcoholic steatohepatitis (NASH) are in development, the incidence of NASH is increasing on an international scale. We aim to assess clinical practice gaps and challenges of hepatologists and endocrinologists when managing patients with NASH in four countries (Germany/Italy/United Kingdom/United States) to inform educational interventions. Methods A sequential mixed‐method design was used: qualitative semi‐structured interviews followed by quantitative online surveys. Participants were hepatologists and endocrinologists practising in one of the targeted countries. Interview data underwent thematic analysis and survey data were analysed with chi‐square and Kruskal‐Wallis tests. Results Most interviewees ( n = 24) and surveyed participants (89% of n = 224) agreed that primary care must be involved in screening for NASH, yet many faced challenges involving and collaborating with them. Endocrinologists reported low knowledge of which blood markers to use when suspecting NASH (56%), when to order an MRI (65%) or ultrasound/FibroScan® (46%), and reported sub‐optimal skills interpreting alanine aminotransferase (ALT, 37%) and aspartate aminotransferase (AST, 38%) blood marker test results, causing difficulty during diagnosis. Participants believed that more evidence is needed for upcoming therapeutic agents; yet, they reported sub‐optimal knowledge of eligibility criteria for clinical trials. Knowledge and skill gaps when managing comorbidities, as well as skill gaps facilitating patient lifestyle changes were reported. Conclusions Educational interventions are needed to address the knowledge and skill gaps identified and to develop strategies to optimize patient care, which include implementing relevant care pathways, encouraging referrals and testing, and multidisciplinary collaboration, as suggested by the recent Global Consensus statement on NAFLD.

Lazure, Patrice↗

DOE OSTI2013

Solid-state lighting life prediction using extended Kalman filter

Solid-state lighting (SSL) luminaires containing light emitting diodes (LEDs) have the potential of seeing excessive temperatures when being transported across country or being stored in non-climate controlled warehouses. They are also being used in outdoor applications in desert environments that see little or no humidity but will experience extremely high temperatures during the day. This makes it important to increase our understanding of what effects high temperature exposure for a prolonged period of time will have on the usability and survivability of these devices. The U.S. Department of Energy has made a long term commitment to advance the efficiency, understanding and development of solid-state lighting (SSL) and is making a strong push for the acceptance and use of SSL products to reduce overall energy consumption attributable to lighting. Traditional light sources “burn out” at end-of-life. For an incandescent bulb, the lamp life is defined by B50 life. However, the LEDs have no filament to “burn”. The LEDs continually degrade and the light output decreases eventually below useful levels causing failure. Presently, the TM-21 test standard is used to predict the L70 life of SSL Luminaires from LM-80 test data. The TM-21 model uses an Arrhenius Equation with an Activation Energy, Pre-decay factor and Decay Rates. Several failure mechanisms may be active in a luminaire at a single time causing lumen depreciation. The underlying TM-21 Arrhenius Model may not capture the failure physics in presence of multiple failure mechanisms. Correlation of lumen maintenance with underlying physics of degradation at system-level is needed. In this paper, a Kalman Filter and Extended Kalman Filters have been used to develop a 70% Lumen Maintenance Life Prediction Model for a LEDs used in SSL luminaires. This model can be used to calculate acceleration factors, evaluate failure-probability and identify ALT methodologies for reducing test time. Ten-thousand hour LM-80 test data for various LEDs have been used for model development. System state has been described in state space form using the measurement of the feature vector, velocity of feature vector change and the acceleration of the feature vector change. System state at each future time has been computed based on the state space at preceding time step, system dynamics matrix, control vector, control matrix, measurement matrix, measured vector, process noise and measurement noise. The future state of the lumen depreciation has been estimated based on a second order Kalman Filter model and a Bayesian Framework. The measured state variable has been related to the underlying damage using physics-based models. Life prediction of L70 life for the LEDs used in SSL luminaires from KF and EKF based models have been compared with the TM-21 model predictions and experimental data.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Improved power conversion efficiency for bulk heterojunction solar cells incorporating CdTe-CdSe nanoheterostructure acceptors and a conjugated polymer donor

In this paper, we report photovoltaic devices based on composites of a branched nanoheterostructure containing a CdTe core and CdSe arms, CdTe(c)-CdSe(a), combined with either poly(3-hexylthiophene), P3HT, or poly[2,6-(4,4-bis-(2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b']dithiophene)-alt-4,7-(2,1,3-benzothiadiazole)], PCPDTBT, with solar power conversion efficiencies of 1.2% and 1.8%, respectively. Finally, a comparison with previously reported composite devices of a related branched nanoheterostructure: CdSe(c)-CdTe(a) reveals an improved device performance that is attributed to a better electron percolation pathway provided by the dominant, higher electron affinity CdSe arms of the nanoheterostructures.

14 SOLAR ENERGY↗

DOE OSTI2018

Solvent effects and charge transfer states in organic photovoltaics: a time-dependent density functional theory study on the PCPDTBT:PCBM low band gap system

Long-range corrected time-dependent density functional theory has been used to study the solvent effect on excited state properties of PCPDTBT:PCBM (Poly[2,6-(4,4-dimethyl-4H-cyclopenta[2,1-b:3,4-b']-dithiophene)-alt-4,7-(2,1,3-benzothiadiazole)]:[6,6]-Phenyl-C61-butyric acid methyl ester) molecular system. A polarizable continuum model has been applied within the linear response (LR) and state-specific (SS) approaches to account for the dielectric environment. Here, the results show that the influence of the solvent depends on the nature of the excitations. For neutral excitonic states that are essentially localized on a single molecule, the solvent has little or no effects on the excitation energies according to both solvent schemes. On the other hand, for states with a significant amount of charge transfer (CT), the SS approach predicts a sufficient decline in the excitation energy as the dielectric constant increases so that the CT state can be stabilized to the lowest excited state, whereas the LR counterpart shows almost no change. The comparison of two solvent approaches is discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2016

A mouse radiation-induced liver disease model for stereotactic body radiation therapy validated in patients with hepatocellular carcinoma

Purpose: Lower radiation tolerance of the whole liver hinders dose escalations of stereotactic body radiation therapy (SBRT) in hepatocellular carcinoma (HCC) treatment. This study was conducted to define the exact doses that result in radiation-induced liver disease (RILD) as well as to determine dose constraints for the critical organs at risk (OARs) in mice; these parameters are still undefined in HCC SBRT. Methods: This study consisted of two phases. In the primary phase, mice treated with helical tomotherapy-based SBRT were stratified according to escalating radiation doses to the livers. The pathological differences, signs [such as mouse performance status (MPS)], and serum aspartate aminotransferase (AST)/alanine aminotransferase (ALT)/albumin levels were observed. Radiation-induced disease severities of the OARs were scored using systematic evaluation standards. In the validation phase in humans, 13 patients with HCC who had undergone radiotherapy before hepatectomy were enrolled to validate RILD pathological changes in a mouse study. Results: The evaluation criteria of the mouse liver radiotherapy-related signs were as follows: MPS ≥ 2.0 ± 0.52, AST/ALT ≥ 589.2 ± 118.5/137.4 ± 15.3 U/L, serum albumin ≤ 16.8 ± 2.29 g/L. The preliminary dose constraints of the OARs were also obtained, such as those for the liver (average dose ≤ 26.36 ± 1.71 Gy) and gastrointestinal tract (maximum dose ≤ 22.63 Gy). Mouse RILD models were able to be developed when the livers were irradiated with average doses of ≥31.76 ± 1.94 Gy (single fraction). RILD pathological changes in mice have also been validated in HCC patients. Conclusions: Mouse RILD models could be developed with SBRT based on the dose constraints for the OARs and evaluation criteria of mouse liver radiotherapy-related signs, and the authors’ results favor the study of further approaches to treat HCC with SBRT.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Concurrent colonization of rodent kidneys with multiple species and serogroups of pathogenic Leptospira

ABSTRACT Rodents are important reservoir hosts of pathogenic leptospires in the US Virgin Islands. Our previous work determined that trapped rodents were colonized withLeptospira borgpeterseniiserogroup Ballum (n= 48) and/orLeptospira kirschneriserogroup Icterohaemorrhagiae (n= 3). In addition, nine rodents appeared to be colonized with a mixed population comprising more than one species/serogroup. The aim of this study was to validate this finding by characterizing clonal isolates derived from cultures of mixed species. Cultures of presumptive mixed species (designated LR1, LR5, LR37, LR57, LR60, LR61, LR68, LR70, and LR72) were propagated in different media including Hornsby-Alt-Nally (HAN) media, incubated at both 29℃ and 37℃, and T80/40/LH incubated at 29℃. Polyclonal reference antisera specific for serogroup Ballum and Icterohaemorrhagiae were used to enrich for different serogroups followed by subculture on agar plates. Individual colonies were then selected for genotyping and serotyping. Of the nine cultures of mixed species/serogroups, a single clonal isolate was separated in five of them:L. borgpeterseniiserogroup Ballum in LR1, LR5, and LR37, andL. kirschneriserogroup Icterohaemorrhagiae in LR60 and LR72. In four of the cultures with mixed species (LR57, LR61, LR68, and LR70), clonal isolates of bothL. borgpeterseniiserogroup Ballum andL. kirschneriserogroup Icterohaemorrhagiae were recovered. Our results definitively establish that rodents can be colonized with more than one species/serogroup ofLeptospiraconcurrently. The identification and characterization of multiple species/serogroups ofLeptospirafrom individual reservoir hosts of infection are essential to understand the epidemiology and transmission of disease to both human and domestic animal populations. IMPORTANCE PathogenicLeptospira, the causative agent of human and animal leptospirosis, comprise a diverse genus of species/serogroups which are inherently difficult to isolate from mammalian hosts due to fastidious growth requirements. Molecular evidence has indicated that reservoir hosts ofLeptospiramay shed multiple species concurrently. However, evidence of this phenomena by culture has been lacking. Culture is definitive and is essential for comprehensive characterization of recovered isolates by high-resolution genome sequencing and serotyping. In this work, a protocol using recently developed novel media formulations, in conjunction with reference antisera, was developed and validated to demonstrate the recovery of multiple species/serogroups of pathogenicLeptospirafrom the same host. The identification and characterization of multiple species/serogroups ofLeptospirafrom individual reservoir hosts of infection are essential to understand the epidemiology and transmission of disease to both human and domestic animal populations.

Biotechnology & Applied Microbiology↗

DOE OSTI2015

Structure of the spatial periphery of the isotopes {sup 9,11}Li

The cross sections for the (t, p) reactions on the lithium isotopes {sup 9,11}Li were calculated within a theoretical approach based on employing integral equations of the four-body problem in the Alt—Grassberger-Sandhas formalism and the multiparticle shell model. This made it possible to determine the wave functions for the relative motion of various clusters and the nuclear core and to calculate, on their basis, the root-mean-square radii of nuclei of the isotopes {sup 9,11}Li and the spatial structure of their neutron periphery. It is shown that the {sup 9}Li nucleus has virtually no neutron halo. The {sup 11}Li nucleus is a Borromean halo nucleus. The two-neutron periphery of this nucleus manifests itself in both spatial configurations, a dineutron and a cigar one, the respective root-mean-square radii being large (about 6.5 to 6.9 fm)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2012

Mechanisms of sequential particle transfer and characteristics of light neutron-excess and oriented nuclei

The procedure for evaluating the second-order corrections to the matrix elements of the reaction A(x, y)B, which are obtained using the method of distorted waves with a finite radius of intercluster interaction (DWBAFR), is developed. It is based on the assumption of a virtual cluster structure of light nuclei and uses integral equations for a four-body problem in the Alt-Grassberger-Sandhas formalism. These corrections are related with the mechanisms of sequential particles transfer. The latter are represented by the quadrangle diagrams. Their matrix elements are summed up coherently with those given by the pole and triangle diagrams which were calculated by using DWBAFR. The computer code QUADRO is written for the numerical implementation of the method proposed. The statistical tensors of nucleus B formed in the reaction A(x, y)B at incident particle energies of about 10 MeV/nucleon in the center of mass frame are determined. Specific calculations allowed for description of both the experimental cross sections (0-rank statistical tensors) of various reactions (including those where nucleus B has some excess neutrons) and polarized characteristics of nucleus B* (in the case of the latter produced in the exited state). A two-neutron periphery of nuclei {sup 6}He, {sup 10}Be, {sup 12}B (both in dineutron and cigarlike configurations) is restored by analyzing the differential cross sections of elastic alpha-6He-scattering and {sup 9}Be(d, p){sup 10}Be and {sup 10}B(t, p){sup 12}B reactions. It is shown that the structure of neutron peripheries is fundamentally different for these nuclei and its feature depends on the way those neutron-excess nuclei are formed: in {sup 6}He both configurations contribute to a two-neutron halo, while in {sup 10}Be there is a barely noticeable one-neutron halo, and in {sup 12}B there is a “dineutron skin”. Orientation characteristics of nuclei B* are calculated. Their comparison with experimental data made it possible to draw important conclusions about a contribution to the statistical tensors of nucleus B* coming from the two-step mechanisms and its impact on the properties of oriented light nuclei, including their polarization. Finally, a simplified method for calculating the matrix elements of mechanisms, which take into account sequential particle transfer, is proposed. It is demonstrated to be correct by evaluating a contribution of the corresponding corrections to the total amplitude of the reaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2014

Spin effects in the dd → {sup 3}He n reaction at intermediate energies

The dd → {sup 3}He n reaction is considered at the energies between 200 and 520 MeV. The calculations are performed within relativistic multiple scattering model based on the Alt-Grassberger-Sandhas equations. The angular dependences of the differential cross section and vector and tensor analyzing powers are given in comparison with the experimental data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Agricultural Baseline (BL0) scenario of the 2016 Billion-Ton Report

Scientific reason for data generation: to serve as the reference case for the BT16 volume 1 agricultural scenarios. The agricultural baseline runs from 2015 through 2040; a starting year of 2014 is used. Date the data set was last modified: 02/12/2016 How each parameter was produced (methods), format, and relationship to other data in the data set: simulation was developed without offering a farmgate price to energy crops or residues (i.e., building on both the USDA 2015 baseline and the agricultural census data (USDA NASS 2014). Data generated are .txt output files by year, simulation identifier, county code (1-3109). Instruments used: POLYSYS (version POLYS2015_V10_alt_JAN22B) supplied by the University of Tennessee APAC The quality assurance and quality control that have been applied: • Check for negative planted area, harvested area, production, yield and cost values. • Check if harvested area exceeds planted area for annuals. • Check FIPS codes.

09 BIOMASS FUELS↗

DOE OSTI2016

Agricultural Baseline (BL0) scenario

09 BIOMASS FUELS↗

DOE OSTI2016

Base-Case 1% Yield Increase (BC1), All Energy Crops scenario of the 2016 Billion Ton Report

Scientific reason for data generation: to serve as the base-case scenario for the BT16 volume 1 agricultural scenarios to compare these projections of potential biomass supplies against a reference case (agricultural baseline 10.11578/1337885). The simulation runs from 2015 through 2040; a starting year of 2014 is used but not reported. How each parameter was produced (methods), format, and relationship to other data in the data set: This exogenous price simulations (also referred to as “specified-price” simulations) introduces a farmgate price, and POLYSYS solves for biomass supplies that may be brought to market in response to these prices. In specified-price scenarios, a specified farmgate price is offered constantly in all counties over all years of the simulation. This simulation begins in 2015 with an offered farmgate price for primary crop residues only between 2015 and 2018 and long-term contracts for dedicated crops beginning in 2019. Expected mature energy crop yield grows at a compounding rate of 1% beginning in 2016. The yield growth assumptions are fixed after crops are planted such that yield gains do not apply to crops already planted, but new plantings do take advantage of the gains in expected yield growth. Instruments used: Policy Analysis System –POLYSYS (version POLYS2015_V10_alt_JAN22B), an agricultural policy modeling system of U.S. agriculture (crops and livestock), supplied by the University of Tennessee Institute of Agriculture, Agricultural Policy Analysis Center.

09 BIOMASS FUELS↗