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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 793 records · Page 44

Strain-Driven Evolution of Structural and Carrier Recombination Dynamics in Germanium

Strain engineering in group-IV semiconductors, in particular germanium (Ge), offers a promising route for advancing next-generation optoelectronic device performance. High minority carrier lifetime serves as a direct indicator of superior material quality and device efficiency. Several factors govern the minority carrier lifetime in both strained Ge and strained GeSn, such as strain level, epilayer thickness, defects, surface roughness, and Sn alloying. In this study, the impact of biaxial strain on effective minority carrier lifetimes of tensile-strained Ge (0% ..epsilon..-Ge/Al?As, 0.78% ..epsilon..-Ge/In0.115?Ga0.885?As, and 0.93% ..epsilon..-Ge/In0.16?Ga0.84?As) and compressively strained GeSn (-0.53% c-Ge0.97?Sn0.03/Al?As) epilayers, grown by molecular beam epitaxy, was experimentally investigated via the microwave-reflection photoconductive decay (..mu..-PCD) technique as a simultaneous function of thickness and strain. The structural and strain-relaxation properties were analyzed by high-resolution x-ray diffraction and Raman spectroscopy, while surface morphology analysis using atomic force microscopy provided insights into the surface roughness of strained Ge-based epilayers. Defect characterization by cross-section transmission electron microscopy revealed superior crystalline quality of ..epsilon..-Ge in one epilayer, while twin boundary formation was observed in the other. We investigated the carrier recombination dynamics in epitaxially strained Ge by extracting the bulk recombination lifetime and surface recombination velocity using the thickness-dependent minority carrier lifetime. High effective minority carrier lifetimes of approximately 60-340 ns were achieved at high strain levels with minimal dependence on the thickness of the strained Ge-based epilayers by means of the ..mu..-PCD technique. Minority carrier lifetimes in Ge-based epilayers exhibit a quadratic dependence on the biaxial strain, ranging from -0.88% (compressive) to +1.6% (tensile). The analysis of the carrier recombination dynamics in strained Ge-based heterostructures offers a pathway to designing group-IV based optoelectronic devices.

36 MATERIALS SCIENCE↗

Commensuration Effects in Layered Nanoparticle Solids.

We have developed a hierarchical nanoparticle transport simulator (HINTS) and adapted it to study commensuration effects in two classes of nanoparticle (NP) solids: (1) a bilayer NP solid (BNS) with an energy offset and (2) a BNS as part of a field effect transistor (FET). HINTS integrates the ab initio characterization of single NPs with the phonon-assisted tunneling transition model of the NP-NP transitions into a kinetic Monte Carlo based simulation of the charge transport in NP solids. First, we studied a BNS with an interlayer energy offset Delta, possibly caused by a fixed electric field. Our results include the following. First, in the independent energy-offset model, we observed the emergence of commensuration effects when scanning the electron filling factor (FF) across integer values. These commensuration effects were profound as they reduced the mobility by several orders of magnitude. We analyzed these commensuration effects in a five-dimensional parameter space, as a function of the on-site charging energy E-C, energy offset Delta, disorder D, the electron FF, and temperature k(B)T. We demonstrated the complexity of our model by showing that at integer FFs commensuration effects are present in some regions of the parameter space, while they vanish in other regions, thus defining distinct dynamical phases of the model. We determined the phase boundaries between these dynamical phases. Second, using these results as a foundation, we shifted our focus to the experimentally much-studied NP-FETs. NP-FETs are also characterized by an interlayer energy offset Delta, which, in contrast to our first model, is set by the gate voltage V-G and thereby related to the electron FF. We repeated many of our simulations and again demonstrated the emergence of commensuration effects and distinct dynamical phases in these NP-FETs. Notably, the commensuration effects in the NP-FETs showed many similarities to those in the independent energy-offset BNS.

Qu, Luman↗

Establishing the Maximum Collectivity in Highly Deformed N = Z Nuclei

The lifetimes of the first excited 2 + states in the N = Z nuclei 80 Zr, 78 Y, and 76 Sr have been measured using the γ-ray line shape method following population via nucleon-knockout reactions from intermediate-energy rare-isotope beams. The extracted reduced electromagnetic transition strengths yield new information on where the collectivity is maximized and provide evidence for a significant, and as yet unexplained, odd-odd vs even-even staggering in the observed values. As a result, the experimental results are analyzed in the context of state-of-the-art nuclear density-functional model calculations.

59 ≤ A ≤ 89↗

Estimating the Effects of Module Area on Thin-Film Photovoltaic System Costs

We investigate the potential effects of module area on the cost and performance of photovoltaic systems. Applying a bottom-up methodology, we analyzed the costs associated with thin-film modules and systems as a function of module area. We calculate a potential for savings of up to 0.10/Wand0.13/W in module manufacturing costs for CdTe and CIGS respectively, with large area modules. We also find that an additional 0.04/W savings in balance-of-systems costs may be achieved. Sensitivity of the /W cost savings to module efficiency, manufacturing yield, and other parameters is presented. Lifetime energy yield must also be maintained to realize reductions in the levelized cost of energy; the effects of module size on energy yield for monolithic thin-film modules are not yet well understood. Finally, we discuss possible non-cost barriers to adoption of large area modules.

14 SOLAR ENERGY↗

Revealing minijet dynamics via centrality dependence of double parton interactions in proton–nucleus collisions

One of the main challenges hampering an accurate measurement of the double parton scattering (DPS) cross sections is the difficulty in separating the DPS from the leading twist (LT) contributions. We argue that such a separation can be achieved, and cross section of DPS measured, in proton–nucleus scattering by exploiting the different centrality dependence of DPS and LT processes. We developed a Monte Carlo implementation of the DPS processes which includes realistic nucleon–nucleon (NN) correlations in nuclei, an accurate description of transverse geometry of both hard and soft NN collisions as well as fluctuations of the strength of interaction of nucleon with nucleus (color fluctuation effects). Our method allows the calculation of probability distributions of single and double dijet events as a function of centrality, also distinguishing double hard scatterings originating from a single target nucleon and from two different nucleons. We present numerical results for the rate of DPS as a function of centrality, following the model developed by the ATLAS collaboration which relates the distribution over the number of wounded nucleons to the distribution over the sum of transverse energies of hadrons produced at large negative (along the nucleus direction) rapidities, which is experimentally measurable. We suggest a new quantity which allows to test the geometry of DPS and we argue that it is a universal function of centrality for different DPS processes. This quantity can be tested by analyzing existing LHC data. The method developed in this work can be extended to the search for triple parton interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nutrient and stress tolerance traits linked to fungal responses to global change: Four case studies

In this case study analysis, we identified fungal traits that were associated with the responses of taxa to 4 global change factors: elevated CO2, warming and drying, increased precipitation, and nitrogen (N) enrichment. We developed a trait-based framework predicting that as global change increases limitation of a given nutrient, fungal taxa with traits that target that nutrient will represent a larger proportion of the community (and vice versa). In addition, we expected that warming and drying and N enrichment would generate environmental stress for fungi and may select for stress tolerance traits. We tested the framework by analyzing fungal community data from previously published field manipulations and linking taxa to functional gene traits from the MycoCosm Fungal Portal. Altogether, fungal genera tended to respond similarly to 3 elements of global change: increased precipitation, N enrichment, and warming and drying. The genera that proliferated under these changes also tended to possess functional genes for stress tolerance, which suggests that these global changes—even increases in precipitation—could have caused environmental stress that selected for certain taxa. In addition, these genera did not exhibit a strong capacity for C breakdown or P acquisition, so soil C turnover may slow down or remain unchanged following shifts in fungal community composition under global change. Since we did not find strong evidence that changes in nutrient limitation select for taxa with traits that target the more limiting nutrient, we revised our trait-based framework. The new framework sorts fungal taxa into Stress Tolerating versus C and P Targeting groups, with the global change elements of increased precipitation, warming and drying, and N enrichment selecting for the stress tolerators.

59 BASIC BIOLOGICAL SCIENCES↗

SCALE 6.2.4 Validation: Radiation Shielding

For safe and reliable use of computer codes by the community, accuracy must be clearly evaluated. In particular, the nuclear reactor engineering and licensing field needs accurate tools for radiation shielding modeling. Monaco with Automated Variance Reduction using Importance Calculations (MAVRIC) is one such tool, with built-in variance reduction methods distributed within the SCALE code, and its validity is demonstrated in this report for the released version 6.2.4. Representative benchmarks corresponding to shielding analysis are selected for the validation study. Typical experimental results analyzed from those benchmarks include neutron fluxes, detector count rates, detector energy response functions, neutron and gamma doses, foil neutron activation rates and activities, neutron leakage fluxes, and skyshine dose rates. Thousands of points of comparison between experiment and calculation are presented in this work. Other than rare outliers typically explained by either a lack of information or large uncertainties in the experiment conditions, material, or dimensions, MAVRIC agrees well with the experiment results. MAVRIC is also compared to Monte Carlo N-Particle (MCNP) calculations when available, and both codes generally produce good agreements within estimated uncertainties. The selected benchmarks are obtained from reliable sources such as the International Criticality Safety Benchmark Evaluation Project Handbook (ICSBEP Handbook), the Shielding Integral Benchmark Archive & Database (SINBAD), and other shielding validation work found in the literature. Additional datapoints and benchmarks will be added to future versions of this report to incrementally expand the shielding validation suite incrementally.

61 RADIATION PROTECTION AND DOSIMETRY↗

SCALE 6.3 Validation: Radiation Shielding

Safe and reliable use of scientific and engineering computer codes requires validation for the types of applications in which they will be used. An example in the nuclear reactor engineering and licensing field is radiation transport employed in shielding analyses. The validity of computer codes for shielding applications is demonstrated in this report for SCALE version 6.3.0. Representative benchmarks corresponding to shielding analyses are selected for the validation study. Typical measurement results analyzed from these benchmarks include neutron fluxes, detector count rates, detector energy response functions, neutron and gamma dose rates, neutron activation rates and activities, neutron leakage fluxes, and skyshine dose rates. Thousands of points of comparison between measurement and calculation are presented in this work. Other than rare outliers typically explained by either a lack of information or large uncertainties in the experiment conditions, material, or dimensions, the Monaco with Automated Variance Reduction using Importance Calculations (MAVRIC) radiation transport computer code with built-in variance reduction methods distributed with the SCALE computer code system agrees well with the measurement results. In selected benchmarks, MAVRIC is also compared to Monte Carlo N- Particle® (MCNP® ) 1 calculations. Both computer codes generally agree well within the estimated uncertainties. With the release of SCALE 6.3.0, Shift was integrated as an alternative transport solver in MAVRIC, denoted MAVRIC-Shift. Although the traditional MAVRIC using Monaco was used primarily in this validation study, many results have also been generated using MAVRIC-Shift. Agreement between MAVRIC-Monaco and MAVRIC-Shift is generally very good. The benchmarks presented in this report were obtained from reliable sources such as the International Criticality Safety Benchmark Evaluation Project Handbook, the Shielding Integral Benchmark Archive & Database, and other shielding validation work found in the literature. Additional datapoints and benchmarks will be added to future versions of this report to expand the shielding validation suite.

61 RADIATION PROTECTION AND DOSIMETRY↗

Fuel Cycle Performance of Fast Spectrum Molten Salt Reactor Designs

In the search for new ways to generate low-carbon, reliable base-load power, a resurgence of interest in advanced nuclear energy technologies, including Molten Salt Reactors (MSRs), has produced multiple new conceptual MSRs including fast neutron spectrum designs. The fuel cycle performance of four historical fast MSR designs is analyzed using a recently developed SCALE/TRITON 6.2.4 Alpha with a continuous online reprocessing functionality. The fast spectrum and continuous feed and removal of material enable these concepts to have remarkable fuel cycle metrics: (1) resource utilization is approximately 18 times better than for a typical low-enriched thermal spectrum once-through fuel cycle (i.e., from approximately 180 t/GWe-year to 1 t/GWe-year); (2) fast MSRs generate approximately 25 times less nuclear waste than the current once-through fuel cycle. These metrics are consistent with the Evaluation and Screening Study, which produced a technology-agnostic quantification of the characteristic performance of alternate fuel cycles. Additionally, full-core and unit cell transport models were created and compared to verify the viability of using simplified unit cell geometries for long-term depletion simulation. The unit cell approximation provided a speedup of 20 times relative to the full-core simulation, with depleted mass relative error for major isotopes of less than 2%. Additional fast MSRs design and analysis challenges associated with different fuel cycles and the use of MSR technology are addressed and discussed.

Rykhlevskii, Andrei↗

The mutation atlas of giant kelp (Macrocystis pyrifera): a mutation database resource for natural knockouts

Giant kelp (Macrocystis pyrifera) is a paramount species of immense ecological and economic importance. It forms dense underwater forests, providing crucial habitat and serving as a foundation species for diverse marine ecosystems. Understanding the genetics of giant kelp is essential for conservation and sustainable farming, safeguarding these valuable ecosystems and their benefits. By analyzing mutations based on their impact, we can gain insights into the potential functional consequences and implications for the organism, helping to identify critical genes or regions that may play a significant role in adaptation, development, and environmental response. To achieve this, we annotated the effects and impact of spontaneous mutations in 559 giant kelp individuals from four different populations. We found over 15.9 million mutations in genes of giant kelp, and classified them into modifier, low, moderate, and high impact depending on their predicted effects. The creation of this mutation effect database, attached to the seedbank of these individuals, offers several applications, including enhancing breeding programs, aiding genetic engineering with naturally occurring mutations, and developing strategies to mitigate the impact of environmental changes.

Plant Sciences↗

The Information Length Concept Applied to Plasma Turbulence

A methodology to study statistical properties of anomalous transport in fusion plasma is investigated. Three time traces generated by the full-f gyrokinetic code GKNET are analyzed for this purpose. The time traces consist of heat flux as a function of the radial position, which is studied in a novel manner using statistical methods. The simulation data exhibit transport processes with both medium and long correlation length along the radius. A typical example of a phenomenon with long correlation length is avalanches. In order to investigate the evolution of the turbulent state, two basic configurations are studied, one flux-driven and one gradient-driven with decaying turbulence. The information length concept in tandem with Boltzmann–Gibbs and Tsallis entropy is used in the investigation. It is found that the dynamical states in both flux-driven and gradient-driven cases are surprisingly similar, but the Tsallis entropy reveals differences between them. This indicates that the types of probability distribution function are nevertheless quite different since the higher moments are significantly different.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Pyrolytic Behavior of Major Biomass Components in Waste Biomass

The pyrolytic behavior of several biomass components including cellulose, hemicellulose, lignin, and tannin, from two sources of waste biomass (i.e., pine bark and pine residues) were examined. Compared to the two aromatic-based components in the biomass, carbohydrates produced much less char but more gas. Surprisingly, tannin produced a significant amount of water-soluble products; further analysis indicated that tannin could produce a large amount of catechols. The first reported NMR chemical shift databases for tannin and hemicellulose pyrolysis oils were created to facilitate the HSQC analysis. Various C–H functional groups (>30 different C–H bonds) in the pyrolysis oils could be analyzed by employing HSQC-NMR. The results indicated that most of the aromatic C–H and aliphatic C–H bonds in the pyrolysis oils produced from pine bark and pine residues resulted from the lignin and tannin components. A preliminary study for a quantitative application of HSQC-NMR on the characterization of pyrolysis oil was also done in this study. Nevertheless, the concepts established in this work open up new methods to fully characterize the whole portion of pyrolysis oils produced from various biomass components, which can provide valuable information on the thermochemical mechanisms.

09 BIOMASS FUELS↗

PlantCV v2: Image analysis software for high-throughput plant phenotyping

Systems for collecting image data in conjunction with computer vision techniques are a powerful tool for increasing the temporal resolution at which plant phenotypes can be measured non-destructively. Computational tools that are flexible and extendable are needed to address the diversity of plant phenotyping problems. We previously described the Plant Computer Vision (PlantCV) software package, which is an image processing toolkit for plant phenotyping analysis. The goal of the PlantCV project is to develop a set of modular, reusable, and repurposable tools for plant image analysis that are open-source and community-developed. Here in this paper we present the details and rationale for major developments in the second major release of PlantCV. In addition to overall improvements in the organization of the PlantCV project, new functionality includes a set of new image processing and normalization tools, support for analyzing images that include multiple plants, leaf segmentation, landmark identification tools for morphometrics, and modules for machine learning.

59 BASIC BIOLOGICAL SCIENCES↗

Estimating the Effects of Module Area on Thin-Film Photovoltaic System Costs: Preprint

We investigate the potential effects of module area on the cost and performance of photovoltaic systems. Applying a bottom-up methodology, we analyzed the costs associated with thin-film modules and systems as a function of module area. We calculate a potential for savings of up to 0.10 dollars/W and 0.13 dollars/W in module manufacturing costs for CdTe and CIGS respectively, with large area modules. We also find that an additional 0.04 dollars/W savings in balance-of-systems costs may be achieved. Sensitivity of the dollar/W cost savings to module efficiency, manufacturing yield, and other parameters is presented. Lifetime energy yield must also be maintained to realize reductions in the levelized cost of energy; the effects of module size on energy yield for monolithic thin-film modules are not yet well understood. Finally, we discuss possible non-cost barriers to adoption of large area modules.

14 SOLAR ENERGY↗

Real-Time Ice Nuclei Measurements at Oliktok Point Field Campaign Report

The ability of atmospheric particles (aerosols) to serve as heterogeneous ice nuclei (IN) for formation of ice and mixed-phase clouds is one of the least understood microphysical processes resulting in large uncertainties in climate modeling. As stated in the Intergovernmental Panel on Climate Change 2007 report, “The effects of aerosol particles on heterogeneous ice formation are currently insufficiently understood and present another level of challenge for both observations and modeling.” IN can strongly affect cloud radiative properties and precipitation formation. Only a small fraction (often less than 1%) of all aerosol particles act as atmospheric IN. Therefore, it becomes important to identify the active fraction of aerosol particles under a variety of environmental conditions. Proposed IN measurement techniques provide IN concentrations as a function of temperature and humidity conditions, and this unique data set can be analyzed to develop or constrain IN parameterizations that models rely on to calculate primary ice formation. Currently, the processes of ice formation within models are poorly represented, such that climate models often inaccurately partition cloud water between liquid and solid ice. Model studies have shown that uncertainties in cloud phase partitioning induce large uncertainties in the impact of mixedphase clouds on climate change. Arctic clouds composed of ice particles and supercooled liquid droplets at temperatures warmer than -37°C are important for the Arctic’s climate because of their extensive horizontal coverage over long periods, and their impact on the surface radiative balance and thus ice sheet coverage. The complexity of microphysical processes within these clouds and the sensitivity of precipitation to the details of microphysics are not fully understood. In addition, representation of these processes in a variety of cloud models continues to be challenging. Arctic clouds provide unique conditions to understand heterogeneous ice nucleation mechanisms, particularly immersion freezing, and will be the initial focus of the ice nucleation group. The U.S. Department of Energy Atmospheric Radiation Measurement (ARM)-North Slope of Alaska (NSA) site is well equipped with other aerosol measurement (number concentration, size) instruments, and a relationship among long-term IN measurements and aerosol physical and chemical properties under different environmental conditions can be identified and established. The long-term IN measurements will be critical for understanding the ice nucleation process in response to the seasonal variations of aerosol and developing robust ice nucleation parameterizations for cloud and climate models. In the future, IN measurements could also be made at other ARM-NSA sites, specifically, Oliktok Point.

Arctic processes (meteorology), Oliktok Point, aer↗

Analysis of PNAR Spent Fuel Safeguards Measurements using the ORIGEN Data Analysis Module

This paper summarizes the analysis of the Passive Neutron Albedo Reactivity (PNAR) measurements using the ORIGEN data analysis module for 23 boiling water reactor spent fuel assemblies that were performed in Finland under an international collaboration on spent fuel safeguards verification methods. PNAR is part of the proposed integrated nondestructive system to be used for safeguards verifications at the planned Finnish encapsulation facility. Besides measuring passive neutron and gamma emission rates from an assembly like a Fork detector, PNAR also measures the PNAR ratio, which is expected to correlate with the fissile content in the assembly. The emission rates and PNAR ratio can be used to verify the operator declarations and the fissile content of an assembly, respectively. The analysis was performed using the ORIGEN Data Analysis Module, which was originally developed for predicting Fork detector neutron and gamma signals for spent fuel measurements and has been integrated into the Integrated Review and Analysis Package developed by Euratom and the IAEA. The Module includes the ORIGEN burnup analysis code and integrates detector response functions pre-generated using MCNP to predict detector signals in several seconds per assembly. In this study, new response functions specific to PNAR measurements were generated for ORIGEN Module. The study also analyzes impacts of using detailed fuel design and operation information vs. standard safeguards information on results calculated by ORIGEN Module. Using detailed information reduced the standard deviation of relative differences between calculated and measured neutron count rates among the 23 assemblies from ~10% to ~4%. The results obtained using standard safeguards information for these PNAR measurements were similar to those obtained for the Fork detector. A clear trend was found between the calculated net neutron multiplications and the measured PNAR ratios of the 23 assemblies. This paper describes how ORIGEN Module calculates the expected PNAR neutron and gamma signals and PNAR ratio and how they compare with corresponding measured values.

Ilas, Germina↗

Engineering in Cyber Resilience with Cyber-Informed Engineering

Engineers have super powers to provide cybersecurity resilience with deterministic engineering solutions and to protect systems from the most catastrophic consequences that a cyber saboteur could cause. Come to this session to learn how to use engineering risk management skills to harden your engineered systems from cyberattacks. Objective 1 Identify what system functions could be digitally induced to cause undesired high-impact consequences. Objective 2 Analyze how loss or instability of digital controls in a subsystem could lead to high-impact consequences. Objective 3 Analyze how loss or instability in the digital connectivity between systems could lead to high-impact consequences. Objective 4 Identify engineering controls which could build resilience by eliminating digital loss or instability pathways or reduce the impact of digital loss or instability. This presentation will introduce Cyber-Informed Engineering, described below, and walk participants through specific engineering use cases to show how engineers can consider the potential for cyber sabotage in their existing system designs and enact deterministic engineering-based controls which eliminate pathways for attack or mitigate specific consequences. A wide variety of application use cases will be considered so that audience members can align the material with familiar engineering applications. CIE is an engineering approach that integrates cyber resilience into the conception, design, build, and operation of any physical system that has digital connectivity, sensors, monitoring, or control. CIE offers the opportunity to use engineering to eliminate or mitigate avenues for cyber attack—starting from the earliest stage of design and continuing throughout the system’s lifecycle. Today, engineers and industrial control system (ICS) technicians build engineered systems with specific goals for safety, reliability, and functionality. While systems engineering includes considerable safety and failure mode analysis, cybersecurity risks are often not specifically addressed—particularly the risks of intentional cyber compromise, exploitation, and misuse. Cyber-Informed Engineering pairs well with traditional cyber defenses and offers an extra designed-in protection to eliminate the most catastrophic consequences which can be realized by an adversary should traditional cyber defenses fail.

42 ENGINEERING↗

A Combined Wave Function and Density Functional Approach for K-Edge X-ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions

The prediction of X-ray absorption spectra (XAS) of transition metal complexes has important and broad application areas in chemistry and biology. In this letter, we have investigated the predictive ability of multiconfiguration pair-density functional theory (MC-PDFT) for X-ray absorption spectra by calculating the metal K pre-edge features of aquated 3d transition metal ions in common oxidation states. MC-PDFT results were compared with experimentally measured spectra as well as analyzed against results from restricted active-space second-order perturbation theory (RASPT2) and time-dependent density functional theory (TDDFT). As expected, TDDFT performs well for excited states that can be accurately represented by singly excited configurations but fails for excited states where higher order excitations become important. On the other hand, both RASPT2 and MC-PDFT provide quantitatively accurate results for all excited states irrespective of their character. While core-level spectroscopy with RASPT2 is accurate, it is computationally expensive. Finally, our results show that MC-PDFT performs equally well with significantly lower computational cost and is an encouraging alternate approach for X-ray spectroscopies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗