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DOE OSTI2023

New insights into the natural history of bronchopulmonary dysplasia from proteomics and multiplexed immunohistochemistry

Bronchopulmonary dysplasia (BPD) is a disease of prematurity related to the arrest of normal lung development. The objective of this study was to better understand how proteome modulation and cell-type shifts are noted in BPD pathology. Pediatric human donors aged 1–3 yr were classified based on history of prematurity and histopathology consistent with “healed” BPD (hBPD, n = 3) and “established” BPD (eBPD, n = 3) compared with respective full-term born (n = 6) age-matched term controls. Proteins were quantified by tandem mass spectroscopy with selected Western blot validations. Multiplexed immunofluorescence (MxIF) microscopy was performed on lung sections to enumerate cell types. Protein abundances and MxIF cell frequencies were compared among groups using ANOVA. Cell type and ontology enrichment were performed using an in-house tool and/or EnrichR. Proteomics detected 5,746 unique proteins, 186 upregulated and 534 downregulated, in eBPD versus control with fewer proteins differentially abundant in hBPD as compared with age-matched term controls. Cell-type enrichment suggested a loss of alveolar type I, alveolar type II, endothelial/capillary, and lymphatics, and an increase in smooth muscle and fibroblasts consistent with MxIF. Histochemistry and Western analysis also supported predictions of upregulated ferroptosis in eBPD versus control. Finally, several extracellular matrix components mapping to angiogenesis signaling pathways were altered in eBPD. Despite clear parsing by protein abundance, comparative MxIF analysis confirms phenotypic variability in BPD. This work provides the first demonstration of tandem mass spectrometry and multiplexed molecular analysis of human lung tissue for critical elucidation of BPD trajectory-defining factors into early childhood.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Distinct Clinical Impact and Biological Function of Angiopoietin and Angiopoietin-like Proteins in Human Breast Cancer

Secreted angiopoietin/angiopoietin-like (ANGPT/ANGPTL) proteins are involved in many biological processes. However, the role of these proteins in human breast cancers (BCs) remains largely unclear. Here, we conducted integrated omics analyses to evaluate the clinical impact of ANGPT/ANGPTL proteins and to elucidate their biological functions. In BCs, we identified rare mutations in ANGPT/ANGPTL genes, frequent gains of ANGPT1, ANGPT4, and ANGPTL1, and frequent losses of ANGPT2, ANGPTL5, and ANGPTL7, but observed that ANGPTL1, 2, and 4 were robustly downregulated in multiple datasets. The expression levels of ANGPTL1, 5, and 8 were positively correlated with overall survival (OS), while the expression levels of ANGPTL4 were negatively correlated with OS. Additionally, the expression levels of ANGPTL1 and 7 were positively correlated with distant metastasis-free survival (DMFS), while the expression levels of ANGPT2 and ANGPTL4 were negatively correlated with DMFS. The prognostic impacts of ANGPT/ANGPTL genes depended on the molecular subtypes and on clinical factors. We discovered that various ANGPT/ANGPTL genes were co-expressed with various genes involved in different pathways. Finally, with the exception of ANGPTL3, the remaining genes showed significant correlations with cancer-associated fibroblasts, endothelial cells, and microenvironment score, whereas only ANGPTL6 was significantly correlated with immune score. Our findings provide strong evidence for the distinct clinical impact and biological function of ANGPT/ANGPTL proteins, but the question of whether some of them could be potential therapeutic targets still needs further investigation in BCs.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Projected land ice contributions to twenty-first-century sea level rise

The land ice contribution to global mean sea level rise has not yet been predicted using ice sheet and glacier models for the latest set of socio-economic scenarios, nor using coordinated exploration of uncertainties arising from the various computer models involved. Two recent international projects generated a large suite of projections using multiple models, but primarily used previous-generation scenarios and climate models, and could not fully explore known uncertainties. Here we estimate probability distributions for these projections under the new scenarios using statistical emulation of the ice sheet and glacier models. In this work, we find that limiting global warming to 1.5 degrees Celsius would halve the land ice contribution to twenty-first-century sea level rise, relative to current emissions pledges. The median decreases from 25 to 13 centimetres sea level equivalent (SLE) by 2100, with glaciers responsible for half the sea level contribution. The projected Antarctic contribution does not show a clear response to the emissions scenario, owing to uncertainties in the competing processes of increasing ice loss and snowfall accumulation in a warming climate. However, under risk-averse (pessimistic) assumptions, Antarctic ice loss could be five times higher, increasing the median land ice contribution to 42 centimetres SLE under current policies and pledges, with the 95th percentile projection exceeding half a metre even under 1.5 degrees Celsius warming. This would severely limit the possibility of mitigating future coastal flooding. Given this large range (between 13 centimetres SLE using the main projections under 1.5 degrees Celsius warming and 42 centimetres SLE using risk-averse projections under current pledges), adaptation planning for twenty-first-century sea level rise must account for a factor-of-three uncertainty in the land ice contribution until climate policies and the Antarctic response are further constrained.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

A phenomenological wobbling model for isolated pulsars and the braking index

ABSTRACT An isolated pulsar is a rotating neutron star possessing a very high magnetic dipole moment, thus providing a powerful radiating mechanism. These stars loose rotational energy E through various processes, including a plasma wind originating from a highly magnetized magnetosphere and the emission of magnetic dipole radiation (MDR). Such phenomena produce a time decreasing angular velocity Ω(t) of the pulsar that is usually quantified in terms of its braking index. Although these mechanisms are widely acknowledged as the primary drivers of the spin evolution of isolated pulsars, it is plausible that other contributing factors influencing this effect have yet to be comprehensively investigated. Most of young isolated pulsars present a braking index different from that given by the MDR and plasma wind processes. Working in the weak field (Newtonian) limit, we take in this work a step forward in describing the evolution of such a system by allowing the star’s shape to wobble around an ellipsoidal configuration as a backreaction effect produced by its rotational deceleration. It is assumed that an internal damping of the oscillations occurs, thus introducing another form of energy loss in the system, and this phenomenon may be related to the deviation of the braking index from the models based on $\dot{E} \sim -\Omega ^4$ predictions. Numerical calculations suggest that the average braking index for typical isolated pulsars can be thus explained by a simple phenomenological model.

Araujo, E. C. A. (ORCID:0000000213520879)↗

DOE OSTI2024

Monitoring of Photovoltaic (PV) Performance and Degradation: Integrated Renewable Energy Systems (IRES) - PV Monitoring Task

The Integrated Renewable Energy System (IRES) testbed demonstration at the Pacific Northwest National Laboratory (PNNL) Sequim campus includes development of a suite of capabilities for tracking the performance of photovoltaic (PV) renewable energy components located on a floating platform (floating PV) and on a shoreline building rooftop. The marine environment represents potentially harsh and corrosive conditions for PV modules. Compared to terrestrial PV, potential concerns for offshore PV arising from high humidity and occasional contact with saltwater, marine wildlife, and aquaculture. These environmental factors can reduce electricity generation efficiency and increase the risk of electrical faults, polymer insulation or jacketing degradation and hydrolysis of the PV cell encapsulant materials. Offshore PV modules may also be exposed to lower temperatures and buoyant and vibrating motions with a floating platform. It is not clear how the long-term performance of floating PV will be affected by these factors. To understand expected energy generation through solar cells on a floating platform, monitoring of the performance of PV modules in the marine environment is needed. This report outlines a plan for long-term testing of IRES PV components utilizing resources of the PNNL Material Aging and Detection (MAaD) Science team and the Marine and Coastal Research Laboratory (MCRL). Equipment applicable for onsite testing and real-time monitoring of the PV performance associated with environmental conditions including temperature, solar irradiance, shading and soiling is included. In case of performance loss, equipment for fault detection, failure analysis, material testing, and further troubleshooting are also available. Through establishment of this capabilities, the enabling IRES project sets the stage for future research to advance off-shore and near-shore energy options for businesses and communities.

14 SOLAR ENERGY↗

DOE OSTI2020

Corrosion of 304 stainless steel in static liquid lithium under high vacuum

To study the compatibility especially the corrosion characteristic of structural material stainless steel (SS) with liquid lithium (Li) is an important factor for the simultaneous application of liquid Li and SS as a blanket material or potential plasma facing material (PFM) in future fusion devices. Here, the corrosion behaviors of 304SS exposed to liquid Li at 700 K for 1320 hr under high vacuum were investigated. After exposure to liquid Li, 304SS produces non-uniform corrosion which includes corrosion products and grain boundary corrosion. Compared with the corrosion behaviors at 600 K and 640 K, temperature plays an important role in the corrosion behaviors of 304SS in static liquid Li. The weight loss, corrosion depth and corrosion products of 304SS specimens increase with the corrosion temperature. In general, the compatibility between 304SS and static liquid Li is relatively good under the experimental conditions. And besides, it is unexpectedly found that the compatibility of copper with Li is not good.

304SS↗

DOE OSTI2021

Al2O3 Atomic Layer Deposition on Nanostructured γ-Mg(BH4)2 for H2 Storage

In the context of the growing hydrogen (H 2 ) economy, the demand for H 2 storage materials is high, and metal borohydrides are of particular interest. Magnesium borohydride, Mg(BH 4 ) 2 , has one of the highest hydrogen capacities of all known metal hydrides (14.9 wt % H) but suffers from high operating temperatures, slow kinetics for (de)hydrogenation, and the loss of capacity upon cycling. Strategies to address these challenges include nanoencapsulation and the use of chemical additives. This work is the first to utilize these two strategies simultaneously by using atomic layer deposition (ALD). For this new approach to modify borohydrides, we chose the well-studied Al 2 O 3 ALD process using trimethylaluminum and water. Although there has been limited use of aluminum-based additives for Mg(BH 4 ) 2 , we demonstrate that the low-temperature H 2 capacity was doubled, desorption kinetics were increased by a factor of 3, and 100 cycles of Al 2 O 3 suppressed the release of diborane compared to the uncoated Mg(BH4)2. We identified that the use of trimethylaluminum and water in the ALD process affected the decomposition pathway and that the Al 2 O 3 film growth is dominated by infiltration due to the high porosity of the ..gamma..-phase Mg(BH 4 ) 2 . From these results, the potential of ALD as a method to functionalize solid-state H 2 storage materials is inferred, and recommendations for future ALD processes are presented.

08 HYDROGEN↗

DOE OSTI2022

Identification of therapeutic targets in a murine model of severe exertional heat stroke

Exertional heat stroke (EHS) is a potentially lethal condition resulting from high core body temperatures (T C ) in combination with a systemic inflammatory response syndrome (SIRS) with varying degrees of severity across victims, and limited understanding of the underlying mechanism(s). We established a mouse model of severe EHS to identify mechanisms of hyperthermia/inflammation that may be responsible for organ damage. Mice were forced to run on a motorized wheel in a 37.5°C chamber until loss of consciousness and were either removed immediately (exertional heat injury or EHI; T CMax = 42.4 ± 0.2°C) or remained in the chamber an additional 20 min (EHS; T CMax = 42.5 ± 0.4°C). Exercise control mice (ExC) experienced identical procedures to EHS at 25°C. At 3 h post-EHS, there was evidence for an immune/inflammatory response as elevated blood chemokine [interferon γ-induced protein 10 (IP-10), keratinocytes-derived chemokine (KC), macrophage inflammatory proteins (MIP-1α), MIP-1β, MIP-2] and cytokine [granulocyte colony-stimulating factor (G-CSF), interleukins (IL-10), IL-6] levels peaked and were highest in EHS mice compared with EHI and ExC mice. Immunoblotting of organs susceptible to EHS damage indicated that several kinases were sensitive to stress associated with heat/inflammation and exercise; specifically, phosphorylation of liver c-Jun NH 2 -terminal kinase (JNK) at threonine 183/tyrosine 185 immediately (0 h) postheating related to heat illness severity. We have established a mouse EHS model, and JNK [or its downstream target(s)] could underlie EHS symptomatology, allowing the identification of molecular pathways or countermeasure targets to mitigate heat illness severity, enable complete recovery, and decrease overall EHS-related fatalities.

Physiology↗

DOE OSTI2023

Rapid AI-based Dissection of Ashes using Raman and XRF Spectroscopy (RADAR-X)

Waste-to-energy (WTE) facilities incinerate ~35 million tons of municipal solid waste annually in the United States. The incineration process reduces the mass and the volume of the waste fraction by over 75 and 95%, respectively. The fraction left after incineration remains as ash residues and is referred to as WTE ash, compromising of bottom and fly ash. In the United States, ~10 million tons of WTE ashes are generated annually and predominantly landfilled because of the lack of secondary end-use pathways. This incurs a significant financial burden (landfilling costs) on U.S. WTE facilities and also results in the loss of materials to the landfill. The primary objective of this research is to understand better the elemental and mineralogical composition of WTE ashes from diverse origins and find composition dependent upcycling pathways for diverting these ashes from landfills. This primary objective was addressed through three research tasks –(Task I) An AI-led Multi-Modal Approach for Compositional Analysis, (Task II) Developing a Dissolution-Based Test for Real Time Analysis, and (Task III) Establishing composition-dependent end uses. The chemical composition of WTE ash is dependent on two factors, i.e., the input waste composition and the operational parameters of a WTE facility (combustion conditions). Amongst these two factors, the input waste composition will likely show spatial and temporal variation. As a result, the chemical composition of WTE ash will also fluctuate. To understand the spatial and temporal variation in WTE ash composition, in Task I, we collected 128 ash samples (62 bottom ash and 66 fly ash samples) from 11 WTE facilities located in 11 U.S. states and characterized them via X-ray Fluorescence, powder X-ray Diffraction, and Raman Spectroscopy. The findings from this extensive characterization work indicated that the key elements in WTE fly ashes are Ca, Cl (greater than 10 wt. %), Si, S, K, Zn ( between 1 and 10 wt. %), Mg, Al, P, Ti, Fe, Cu, Br, and Pb (between 0.1 and 1 wt. %). Similarly, the key elements in WTE bottom ash fraction finer than 45μm are Ca (greater than 10 wt. %), Mg, Al, Si, S, Cl, K, Ti, Fe, Zn (between 1 and 10 wt. %), P, V, Cr, Mn, Cu, Br, and Pb (between 0.1 and 1 wt. %). Here, we note that the dominant fraction of WTE bottom ash is the coarse fraction. The coarse WTE bottom ash fraction (rich in silicon) was not characterized in this study because of excessive grinding requirements and their unsuitability as a supplementary cementitious material due to their coarse nature. The elements in WTE bottom ashes are present as calcite, anhydrite, vaterite, hydroxyapatite, quartz, bassanite, gehlenite, akermanite, hydrocalumite, and portlandite. Similarly, the mineralogical species present in WTE fly ashes are calcium chloride hydroxide, halite, calcite, anhydrite, sylvite, hydrocalumite, vaterite, hannebachite, quartz, and bassanite. Temporal variation in ash composition may also result in significant fluctuations in chemical compositions. Therefore, a WTE facility may need to monitor the ash composition (elemental and mineralogical composition) in real time. In Task I, we evaluated the possibility of using a portable X-ray fluorescence (XRF) spectrometer to monitor the elemental composition in real-time. Specifically, we collected XRF data on identical specimens via a portable XRF spectrometer (low-end) and a lab-based benchtop XRF spectrometer (high-end). The collected data was used to train an A.I. algorithm (portable XRF data as an input and benchtop XRF data as an output) to predict accurate elemental composition using portable XRF data. Finally, we developed a 2-minute photobleaching protocol to monitor the mineralogical characteristics of WTE ashes via Raman spectroscopy. Overall, the activities in Task I improved our understanding of ash composition and developed techniques to monitor elemental and mineralogical composition in near real-time. Based on the findings of Task I, we find that WTE ashes exhibit wide variability in mineralogy. For ICP-based elemental analysis, all the mineralogical species in WTE ashes must be brought into solution. This is traditionally accomplished with acid digestion using a combination of multiple acids. However, acid digestion with multiple acids is time-consuming and often fails to ensure complete digestion of the ash matrix. To address this limitation, in Task II, we developed an alkali-fusion-based digestion protocol using a combination of lithium tetraborate, lithium metaborate, and their combinations as possible alkali fluxes for digesting WTE ashes entirely and rapidly. The validity of the developed method was evaluated on two standard ash specimens, i.e., SRM 1633c coal fly ash and BCR-176R incineration fly ash specimen. The findings suggest that the developed protocol can ensure complete digestion of elements such as Al, Ba, Ca, Cr, Cu, Mg, Mn, P, Sr, V, Zn, Be, K, and rare earth elements. The recent changes in the energy market towards renewables and increased metal recycling have resulted in reduced supplies of supplementary cementitious materials (coal fly ash and slag). Therefore, in Task III, we evaluated the possibility of employing WTE ashes as SCMs. As the chemical composition of WTE ashes varies temporally (on an hourly basis), there was also a need to develop tests that can evaluate the suitability of material to act as supplementary cementitious material rapidly, i.e., in a few minutes. Therefore, in Task II, we also developed a rapid test to assess the suitability of a material to act as an SCM in 5 minutes. This represents a significant advance over the state-of-the-art R 3 test, which takes ~144 hours. This test was initially validated on amorphous aluminosilicates, such as calcined clays, and could be extended to evaluate other industrial by-products, such as WTE ashes. In Task III, we evaluated the possibility of employing WTE ashes for two applications, i.e., as an SCM and a lime substitute for clay stabilization. The findings from Task I indicated that WTE ashes are enriched in chlorine and, therefore, cannot be used directly as an SCM due to corrosion-related risks and altered hydration kinetics. Accordingly, we developed an ash treatment protocol to reduce the solubility of chlorine-containing species in WTE ashes. The developed treatment protocol also immobilized lead in certain mineral forms. As a result of the treatment, WTE ashes can be used as SCMs without any corrosion or heavy metal leaching concerns. The second application examined in this study was clay stabilization. WTE ashes are calcium-rich and can be an adequate lime replacement for clay stabilization. Our findings reveal that the sum of the concentrations of Ca(OH) 2 and CaClOH controls the clay stabilization capability of WTE ashes. In summary, in this work, we evaluated the elemental and mineralogical characteristics of U.S. WTE ashes from diverse origins and developed tests to evaluate the chemical characteristics of these ashes in real time through a portable XRF and a benchtop Raman spectrometer. Based on the chemical characteristics of these ashes, we developed an ash treatment process to enable the use of WTE ashes as an SCM and also evaluated the possibility of employing these ashes for clay stabilization. Overall, the findings from this work enables the diversion of WTE ashes from landfills for multiple end-uses, i.e., as an SCM or a lime substitute for clay stabilization.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Going off topics to demix quark and gluon jets in α S extractions

Quantum chromodynamics is the theory of the strong interaction between quarks and gluons; the coupling strength of the interaction, α S , is the least precisely-known of all interactions in nature. An extraction of the strong coupling from the radiation pattern within jets would provide a complementary approach to conventional extractions from jet production rates and hadronic event shapes, and would be a key achievement of jet substructure at the Large Hadron Collider (LHC). Presently, the relative fraction of quark and gluon jets in a sample is the limiting factor in such extractions, as this fraction is degenerate with the value of αS for the most well-understood observables. To overcome this limitation, we apply recently proposed techniques to statistically demix multiple mixtures of jets and obtain purified quark and gluon distributions based on an operational definiton. We illustrate that studying quark and gluon jet substructure separately can significantly improve the sensitivity of such extractions of the strong coupling. We also discuss how using machine learning techniques or infrared- and collinear-unsafe information can improve the demixing performance without the loss of theoretical control. While theoretical research is required to connect the extract topics with the quark and gluon objects in cross section calculations, our study illustrates the potential of demixing to reduce the dominant uncertainty for the α S extraction from jet substructure at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Recent H - ion source research and development at the Oak Ridge National Laboratory

The U.S. Spallation Neutron Source (SNS) is a state-of-the-art neutron scattering facility delivering the world's most intense pulsed neutron beams to a wide array of instruments which are used to conduct investigations in many fields of science and engineering. Neutrons are produced from spallation of liquid Hg by bombardment of short (~1 μs), intense (~35 A) pulses of protons delivered at 60 Hz by a storage ring which is fed by a high-intensity, ~1 GeV H - LINAC. This facility has operated almost continuously since 2006, with ion source performance increasing over those years, and currently providing 50–60 mA of H - ions with a duty-factor of 6% for maintenance-free runs of several months with near 100% availability. Ion source research and development at ORNL has played a key role in enabling and supporting this success: this report provides an update on some of the ongoing ion source research and development efforts which have been undertaken since the previous Negative Ion Beams and Sources (NIBS) conference in 2020. These include significant improvements to H - beam current by extraction from a larger source outlet aperture and improvements to the electron dumping system which should eliminate the gradual loss of electrode voltage over the course of a run which has occasionally impacted SNS operations. Improvement and simplification of the plasma ignition system for the external antenna ion source, a long-standing problem, was also realized. Lastly, RF coupling efficiency was measured for both the SNS internal and external antenna ion sources.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Understanding GPU Memory Corruption at Extreme Scale: The Summit Case Study

GPU memory corruption and in particular double-bit errors (DBEs) remain one of the least understood aspects of HPC system reliability. Albeit rare, their occurrences always lead to job termination and can potentially cost thousands of node-hours, either from wasted computations or as the overhead from regular checkpointing needed to minimize the losses. As supercomputers and their components simultaneously grow in scale, density, failure rates, and environmental footprint, the efficiency of HPC operations becomes both an imperative and a challenge. We examine DBEs using system telemetry data and logs collected from the Summit supercomputer, equipped with 27,648 Tesla V100 GPUs with 2nd-generation high-bandwidth memory (HBM2). Using exploratory data analysis and statistical learning, we extract several insights about memory reliability in such GPUs. We find that GPUs with prior DBE occurrences are prone to experience them again due to otherwise harmless factors, correlate this phenomenon with GPU placement, and suggest manufacturing variability as a factor. On the general population of GPUs, we link DBEs to short- and long-term high power consumption modes while finding no significant correlation with higher temperatures. We also show that the workload type can be a factor in memory’s propensity to corruption.

Oles, Vlad↗

DOE OSTI2020

High-Temperature Heat Transfer Fluid Circulator for Concentrating Solar Power Systems

A high temperature Heat Transfer Fluid circulator compressor with wide turn down ratio aerodynamic performance was designed, fabricated and tested for application with high pressure super Critical CO2 fluid capable of temperatures and pressures to >750°C and 25 MPa respectively. The modular system decoupled the drive motor system from an independent compressor shaft to provide thermal isolation between the high temperature compressor shaft and the lower temperature capable motor elements. While the thermal management approach appears to be viable there are potential losses in the secondary cooling flows that need to be taken into account and fine-tuned during operation in order to achieve desired overall system efficiencies. The system was also shown to be viable and dynamically stable throughout the entire operating speed range, thereby validating the overall system configuration and structural design approach used. Finally, while it was not possible to achieve specific PTC-10 test points, the compressor performance tests provide sufficient data to indicate that the compressor has the ability to achieve the required performance in practice. The two key factors affecting compressor design and cost are the maximum expected temperature and pressure. The maximum allowable temperatures for current state-of-the-art (SOA) motor driven compressor technology is limited to of approximately 150-200°C, but inlet temperatures >750 °C may be encountered. While the optimal efficiency of compression is in the transcritical region, some concepts require inlet pressures to 225 bar.

14 SOLAR ENERGY↗

DOE OSTI2021

High-Temperature Heat Transfer Fluid Circulator for Concentrating Solar Power Systems How Mohawk and Velo3Dare Printing the Future of Energy

14 SOLAR ENERGY↗

DOE OSTI2024

Solar Photovoltaics and Land-Based Wind Technical Potential and Supply Curves for the Contiguous United States (2023 Edition)

Estimates of the potential of renewable energy are essential for understanding how we can decarbonize our electric grid and economy. They provide key data for policymakers, land managers, and energy modelers by defining the quantity, quality, and cost of renewable resources. However, estimating renewable energy potential is challenging and requires frequent updates because of rapid advances in technology, cost reductions, and uncertainty about developable land that are due to social, regulatory, and environmental factors. Additionally, the complex processes involved in renewable energy development require regular reviews of methods and assumptions, which can also impact our understanding of renewable potential. In this, the 2023 edition of this annual report, we present new estimates of the technical potential for land-based wind and solar photovoltaics (PV) for the contiguous United States (CONUS). We also provide cost estimates for the available resources, presenting representative supply curves that can be used in downstream modeling and analysis. Additionally, we introduce the new methodologies used to estimate wind capacity, wind energy losses, transmission cost and representation, updated technology cost and design, and scenarios of siting constraints designed to help bound the uncertainty of renewable potential.

14 SOLAR ENERGY↗

DOE OSTI2020

Atomic-Level Understanding of Surface Reconstruction Based on Li[Ni x Mn y Co 1–x–y ]O 2 Single-Crystal Studies

The stability of cathode particle surfaces that are directly exposed to the electrolyte is one of the most crucial and determining factors for cathode performance at high operating voltages. Theory has predicted a strong dependence of surface stability on chemical compositions as well as surface facets of layered oxides, yet conflicting results on the correlations exist as most experimental studies focus on cycled secondary particles recovered from composite electrodes. Here, we synthesize well-formed Li[Ni x Mn y Co 1–x–y ]O 2 (NMC) single-crystal samples, carefully define pristine surface properties, and then monitor their evolution with cycling. Atomic-resolution scanning transmission electron microscopy (STEM) imaging and electron energy loss spectroscopy (EELS) analysis show the formation of a surface reconstruction layer (SRL) as well as an extended surface reduction layer on pristine, Li-permeable non-(001) surfaces, even before cycling. We reveal a transition region with chemical gradient, in which the layered structure gradually densifies and eventually transforms into the SRL on the top surface. Contrary to these observations, no SRL is observed on pristine, Li-impermeable (001) surfaces, revealing the facet-dependent nature of surface reconstructions during particle synthesis. Upon electrochemical cycling, significant composition-and facet-dependent SRL growth is observed. The driving force and mechanism for surface reconstruction are further discussed. The present study provides insights into the origin as well as the nature of SRLs, highlighting the significance of surface engineering in cathode material optimization.

25 ENERGY STORAGE↗

DOE OSTI2024

Distinct function of Chlamydomonas CTRA-CTR transporters in Cu assimilation and intracellular mobilization

Abstract Successful acclimation to copper (Cu) deficiency involves a fine balance between Cu import and export. In the green alga Chlamydomonas reinhardtii, Cu import is dependent on a transcription factor, Copper Response Regulator 1 (CRR1), responsible for activating genes in Cu-deficient cells. Among CRR1 target genes are two Cu transporters belonging to the CTR/COPT gene family (CTR1 and CTR2) and a related soluble protein (CTR3). The ancestor of these green algal proteins was likely acquired from an ancient chytrid and contained conserved cysteine-rich domains (named the CTR-associated domains, CTRA) that are predicted to be involved in Cu acquisition. We show by reverse genetics that Chlamydomonas CTR1 and CTR2 are canonical Cu importers albeit with distinct affinities, while loss of CTR3 did not result in an observable phenotype under the conditions tested. Mutation of CTR1, but not CTR2, recapitulates the poor growth of crr1 in Cu-deficient medium, consistent with a dominant role for CTR1 in high-affinity Cu(I) uptake. On the other hand, the overaccumulation of Cu(I) (20 times the quota) in zinc (Zn) deficiency depends on CRR1 and both CTR1 and CTR2. CRR1-dependent activation of CTR gene expression needed for Cu over-accumulation can be bypassed by the provision of excess Cu in the growth medium. Over-accumulated Cu is sequestered into the acidocalcisome but can become remobilized by restoring Zn nutrition. This mobilization is also CRR1-dependent, and requires activation of CTR2 expression, again distinguishing CTR2 from CTR1 and consistent with the lower substrate affinity of CTR2. One sentence summary Regulation of Cu uptake and sequestration by members of the CTR family of proteins in Chlamydomonas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Development of Solar Cells with Trapezoidal Grid Fingers

In concentrator solar cells, traditional metallic contacts cover a substantial portion of the device area, resulting in reflected light that diminishes the amount of current collected. In this paper, we developed trapezoidal front grid fingers to decrease the optical shadowing and the resulting loss of the device short-circuit current. By using a negative photoresist, a thick metal layer can be deposited by metal evaporation. The formation of an organic and metallic reflective deposit under the negative sloped photoresist is observed, though. By removing this deposit, a similar short-circuit current to typical Ni/Au contacts deposited by electrodeposition is obtained. Even though the Ti/Al grid fingers have larger width, they have the same effective shadowing due to the trapezoidal shape. At high concentration, a higher efficiency is obtained as well due to a high fill factor and improved open circuit voltage.

14 SOLAR ENERGY↗