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195 records · Page 7

PACT Center: Perovskite PV Accelerator for Commercializing Technologies (Final Technical Report)

The Perovskite PV Accelerator for Commercializing Technologies (PACT) center was established in July 2021 as a national resource to accelerate the commercialization of perovskite photovoltaic (PV) technology in the United States. Since its inception, PACT has been led by Sandia National Laboratories (Sandia) in partnership with the National Laboratory of the Rockies (NLR), formerly known as NREL. From FY20-FY23, Los Alamos National Laboratory (LANL), CFV Labs, Black & Veatch (B&V), and the Electric Power Research Institute (EPRI) were part of the project team. LANL brought expertise in perovskite PV device designs and processing, CFV Labs (now GroundWork Renewables) provided initial indoor and outdoor measurement hardware technology, B&V led the initial effort on perovskite PV bankability, and EPRI worked on reviewing testing standards, identifying commercialization gaps, and helping to run PACT’s Industry Advisory Board, a group including representatives from commercial testing labs, independent engineering firms, insurance companies, state regulators, and electric utilities. To source perovskite PV module samples, PACT contracted with the University of North Carolina (UNC), the University of Toledo, the University of Washington, and SLAC/Stanford University to provide a steady stream of research-grade perovskite mini modules, enabling protocol development in advance of commercial module availability. The project period ran from July 1, 2021, through December 31, 2025, including a No Cost Extension. Starting in FY25, the project was continued as a Core Capability in the Lab Call portfolio and continues at a reduced budget with only Sandia and NLR as funded recipients. Notably, starting in FY25 PACT expanded its scope beyond MHP modules to accept all emerging PV mini module technologies for testing, including organic PV (OPV) and all-thin-film tandems, with the aim of supporting commercialization across the broader emerging PV ecosystem. With this change in scope the program was renamed the PV Accelerator for Commercializing Technologies, dropping perovskite from the name.

14 SOLAR ENERGY

Systematic Construction of Time-Dependent Hamiltonians for Microwave-Driven Josephson Circuits

Time-dependent electromagnetic drives are fundamental for controlling complex quantum systems, including superconducting Josephson circuits. In these devices, accurate time-dependent Hamiltonian models are imperative for predicting their dynamics and designing high-fidelity quantum operations. Existing numerical methods, such as black-box quantization (BBQ) and energy-participation ratio (EPR), excel at modeling the static Hamiltonians of Josephson circuits. However, these techniques do not fully capture the behavior of driven circuits stimulated by external microwave drives, nor do they include a generalized approach to account for the inevitable noise and dissipation that enter through microwave ports. Here, we introduce numerical techniques that leverage classical microwave simulations, efficiently executable in finite-element solvers, to obtain the time-dependent Hamiltonian of microwave-driven superconducting circuits with arbitrary geometries under charge, flux, or mixed electromagnetic modulation. Importantly, our techniques do not rely on a lumped-element description of the superconducting circuit, in contrast to previous approaches to tackling this problem. We demonstrate the versatility of our approach by characterizing the driven properties of realistic circuit devices in complex electromagnetic environments, including coherent dynamics due to charge and flux modulation, as well as drive-induced relaxation and dephasing. Our techniques offer a powerful toolbox for optimizing circuit designs and advancing practical applications in superconducting quantum computing.

Lu, Yao [Yale U.; Yale U. (main); Fermilab] (ORCID

Unraveling interphase-driven failure pathways in LiMn0.6Fe0.4PO4/graphite pouch cells

LiMnxFe1−xPO4 (LMFP) is a promising high-voltage, thermally stable, and earth-abundant cathode material, yet its practical application is limited by interphase instability and Mn dissolution. In this work, we systematically evaluate LiMn0.6Fe0.4PO4/graphite pouch cells using three electrolyte formulations including control carbonate electrolyte, control + 2 wt% vinylene carbonate (VC), and control + 2 wt% VC + 1 wt% 1,3,2-dioxathiolane 2,2-dioxide (DTD), to establish how electrolyte composition governs interphase chemistry and long-term degradation. Electrochemical testing shows that both additives are preferentially reduced prior to ethylene carbonate (EC) during cell formation, generating robust cathode-electrolyte interphase (CEI) and solid-electrolyte interphase (SEI) layers that suppress gas evolution and raise the first-cycle coulombic efficiency to 89.3%. Additionally, the dual-additive electrolyte delivers the most stable performance, retaining over 85% capacity after 600 cycles while minimizing impedance growth under long-term cycling at C/3 and 40 °C. Soft X-ray absorption spectroscopy confirms that VC + DTD effectively suppresses electrolyte oxidation at the cathode surface, and micro-X-ray fluorescence shows substantially reduced Mn dissolution and deposition on the graphite anode. Density functional theory simulations further provided insights into the structural and energetic influences of alkoxide species on the cathode surface, proposing a Mn2+ extraction mechanism. The combined experimental and computational findings establish a mechanistic link between electrolyte composition and interphase evolution, highlighting the effectiveness of electrolyte engineering for extending the operational lifetime of LMFP-based lithium-ion batteries.

Chak, Chanmonirath Michael

Tuning Anisotropic Optical Properties of Inorganic and Hybrid Organic–Inorganic MXenes via Topochemical Surface Modification

Surface groups are central to the properties of MXenes, yet their role in optical anisotropy remains largely unexplored. Here, we use a topochemical route to synthesize single crystals of stacked Ti 3 C 2 Cl 2 and hybrid organic–inorganic MXenes (h-MXenes) with lateral sizes of 38–75 μm, rotational registry, and tunable interlayer spacing. Solid-state NMR spectroscopy shows that topochemical substitution generates mixed amido, imido, and hydride surface motifs, which modify the electronic structure of the Ti 3 C 2 inorganic core. Imaging spectroscopic ellipsometry with micron-scale spatial resolution enables reconstruction of the complex dielectric tensor of individual multilayer crystals. Ti 3 C 2 Cl 2 exhibits a type-II hyperbolicity above 930 nm, whereas h-MXenes do not display hyperbolicity within the measured 300–1700 nm window, instead showing reduced in-plane conductivity, suppressed out-of-plane light absorption, and a chain-length-dependent blue shift of a near-infrared absorption feature. These results demonstrate topochemical surface modification as a direct handle for engineering MXenes as surface-programmable optical media.

Hybrid materials

Fingerprinting Uranium Oxides with Electron Energy Loss Spectroscopy Supported by Theoretical Computations

Uranium oxides occur in a variety of phases that differ in crystal structure and uranium oxidation states. Electron energy loss spectroscopy (EELS) is one of the few techniques that has sufficient spatial resolution and sensitivity to electronic structure to distinguish amongst phases at the nanoscale. However, beam-sensitive materials such as uranium oxides are subject to spectral modification due to interactions with the electron beam. Therefore, theory support is essential to reliably exclude the impact of beam damage and generate true reference datasets. Here we use a comparison of theoretical and experimental spectra to probe the impact of beam damage on O K-edge and U N-edge (N6,7 and N4,5) EELS spectra of various single-valent and mixed-valence uranium oxide bulk phases. Using a low-dose experimental set-up, we show that the O K-edge theoretical spectra are in excellent agreement with experiment for both peak positions and relative intensities of respective peaks. In contrast, U N-edge features are less distinguishing due to the partially localized nature of the U 5f orbitals and overlapping multiplet and spin–orbit coupling effects. This work demonstrates that O K-edge EELS is sufficiently diagnostic to distinguish a wide range of uranium oxides and that the experimental approach used here minimizes beam damage and allows valence state discrimination across the U(IV), U(V) and U(VI) series. When combined with imaging modes available in electron mi-croscopy, the work enables detailed investigation and characterization of uranium redox transformations at the nanoscale.

Carbone, Jacopo

Future Projection of Tropical Upper-Tropospheric Troughs and Implications for Tropical Cyclone Activity

Summertime tropical upper-tropospheric troughs (TUTTs) provide a unified framework to better understand how extratropical and tropical forcings jointly modulate basin-scale tropical cyclone (TC) activity. In this study, we examine future changes in TUTTs and their implications for TC activity. Multimodel ensemble-mean projections from 45 Coupled Model Intercomparison Project phase 6 (CMIP6) models suggest a contraction of the Pacific TUTT and an expansion of the Atlantic TUTT as the climate warms. Consistently, future changes in environment-based TC indices indicate that the large-scale conditions will become more favorable for TC genesis and intensification over the central North Pacific but less favorable over the tropical North Atlantic and Gulf of Mexico. Utilizing a TC-permitting large-ensemble dataset [i.e., the Database for Policy Decision-Making for Future Climate Change (d4PDF)] that adequately captures the observed interannual TUTT–TC relationships, we further confirm the impacts of projected TUTT changes on the TC activity in a warmer climate. In contrast, the TUTT–TC relationship is poorly represented in most CMIP6 High-Resolution Model Intercomparison Project (HighResMIP) models; such deficiencies call for caution when assessing future TC risk based on explicitly tracked TCs in these models. Additionally, CMIP6 projections show large intermodel spread in TUTT changes, implying uncertainty in projected TC activity, especially over the central-to-eastern Pacific and the North Atlantic. This intermodel spread is associated with interhemispheric sea surface temperature warming asymmetry, which leads to a meridional shift of the intertropical convergence zone (ITCZ) and the simultaneous weakening or strengthening of TUTTs in the North Pacific and North Atlantic. The potential contributions of anthropogenic aerosol forcing and oceanic circulation to this interhemispheric warming asymmetry are briefly examined.

Climate Change

Alignments in the orientation of radio jets from AGN and their host galaxies

It is well established that active galactic nuclei (AGNs) play an important role in the evolution of galaxies. These AGNs can be linked to the accretion processes onto massive black holes and past merger events in their host galaxies, which may lead to different alignments of the jets with respect to the host galaxies. This paper presents a study of the position angle (PA) differences between radio and optical images of radio-AGNs based on the second data release (DR2) of the Low Frequency Array (LOFAR) Two-Meter Sky Survey (LoTSS), theKarl G. JanskyVery Large Array Faint Images of the Radio Sky at Twenty-Centimeters Survey (FIRST), the Dark Energy Spectroscopic Instrument (DESI) Legacy Imaging Surveys, and the Sloan Digital Sky Survey (SDSS). We assessed PA measurement biases in the data and classified the radio-AGNs based on the radio luminosity and infrared colour from the Wide-field Infrared Survey Explorer (WISE). This resulted in the largest sample of radio AGNs with reliable radio and optical PA measurements published to date, with a total of 3682 AGNs. The PA difference (dPA) distributions for the radio-AGN sample show a prominent minor-axis alignment tendency. Based on some simple assumptions, we simulated the projection effect to estimate the intrinsic jet-galaxy alignment. The observed dPA distribution can be well described by a two-component jet-alignment model in which one component is more aligned with the minor axis of the host galaxy than the other. The fitting results indicate that the jet alignment is dependent on radio luminosity and the shape of the host galaxies, with the jets being more likely to be aligned with the minor axis of the galaxy for lower radio luminosity and for optically more elongated radio-AGNs. The minor-axis alignment of the entire sample may suggest a coherent accretion model present in most AGN host galaxies, while a considerable number of luminous radio-AGNs with massive host galaxies might have undergone accretion – according to the chaotic model – or past merger events.

Astronomy & Astrophysics

Composite Lithium Metal Structure to Mitigate Pulverization and Enable Long‐Life Batteries

In lithium metal batteries, non‐uniform stripping of lithium results in pit formation, which promotes subsequent non‐uniform, dendritic deposition. This viscous cycle leads to pulverization of lithium which promotes cell shorting or capacity degradation, symptoms further exaggerated by high electrode areal loading and lean electrolytes. Here, to address this challenge, a composite lithium metal anode is engineered that contains uniformly distributed, nanometer‐sized carbon particles. This composite lithium is shown to strip more uniformly since the growth of non‐uniform pits is intercepted by the carbon particles. This mechanism is corroborated by a continuum electrochemical model. Subsequent lithium deposition on carbon particles is also found to be more uniform than on the surface with irregular pits. Notably, the pulverization rate of composite lithium is 26 times slower than that of commercial lithium. Moreover, in a Li‐S battery with sulfurized polyacrylonitrile cathode, the use of the composite anode extends the cycle life by three times when the areal capacity is 8 mAh cm −2 . The approach of using an engineered lithium composite structure to address challenges during both stripping and plating can inform future designs of lithium metal anodes for high areal capacity operations.

high areal capacity

Gating ion and fluid transport with chiral solvent

Nonlinear spectroscopy and electrokinetic measurements reveal that the electrochemical properties of a solid–liquid interface in salt solutions in propylene carbonate are dependent on the solvent chirality.

Chemistry

Tradeoffs and Synergies in Tropical Forest Root Traits and Dynamics for Nutrient and Water Acquisition: Field and Modeling Advances

Vegetation processes are fundamentally limited by nutrient and water availability, the uptake of which is mediated by plant roots in terrestrial ecosystems. While tropical forests play a central role in global water, carbon, and nutrient cycling, we know very little about tradeoffs and synergies in root traits that respond to resource scarcity. Tropical trees face a unique set of resource limitations, with rock-derived nutrients and moisture seasonality governing many ecosystem functions, and nutrient versus water availability often separated spatially and temporally. Root traits that characterize biomass, depth distributions, production and phenology, morphology, physiology, chemistry, and symbiotic relationships can be predictive of plants’ capacities to access and acquire nutrients and water, with links to aboveground processes like transpiration, wood productivity, and leaf phenology. In this review, we identify an emerging trend in the literature that tropical fine root biomass and production in surface soils are greatest in infertile or sufficiently moist soils. We also identify interesting paradoxes in tropical forest root responses to changing resources that merit further exploration. For example, specific root length, which typically increases under resource scarcity to expand the volume of soil explored, instead can increase with greater base cation availability, both across natural tropical forest gradients and in fertilization experiments. Also, nutrient additions, rather than reducing mycorrhizal colonization of fine roots as might be expected, increased colonization rates under scenarios of water scarcity in some forests. Efforts to include fine root traits and functions in vegetation models have grown more sophisticated over time, yet there is a disconnect between the emphasis in models characterizing nutrient and water uptake rates and carbon costs versus the emphasis in field experiments on measuring root biomass, production, and morphology in response to changes in resource availability. Closer integration of field and modeling efforts could connect mechanistic investigation of fine-root dynamics to ecosystem-scale understanding of nutrient and water cycling, allowing us to better predict tropical forest-climate feedbacks.

54 ENVIRONMENTAL SCIENCES

Hybrid biophysical systems for atmospheric CO 2 capture

Negative emissions technologies will be essential for limiting anthropogenic global temperature increases to 2 °C in the later years of the 21st century. Carbonic anhydrase (CA) metalloenzymes catalyze the otherwise slow conversion of CO 2 into carbonic acid (H 2 CO 3 ), suggesting their utility in the rapid hydration and downstream capture of dissolved CO 2 in aqueous media for a variety of CO 2 capture methods, such as thermal and pH swings and mineralization. The possibility of driving the rapid capture of CO 2 by catalyzing the CO 2 hydration bottleneck carries real potential for realizing efficient direct air capture (DAC) and direct ocean capture (DOC) systems. However, scaled application of CAs will be dependent on some way of economically sourcing the enzymes at volumes relevant to scaled DAC/DOC operations. In this perspective, we consider the prospect of catalyzing CO 2 hydration using a CA that is bound to the outer membrane of a cyanobacterial host, engineered constructs we call CyCAMs. Coupling extracellular CA expression to a marine, photosynthetic cyanobacterial host results in a CO 2 hydration catalyst that is continuously refreshed during the bacterial growth cycle, without the need for enzyme purification or harvesting steps. In the case of marine cyanobacteria, sunlight and the solutes native to seawater provide the respective energy, nutrients and sources of inorganic carbon essential to maintaining the bacterial population. We consider the potential impact of CA-mediated CO 2 hydration on a variety of DAC processes, with CO 2 mineralization explored as a primary use case.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Passive Confirmation of the Presence Of High-Explosive Material Via Neutron Transmission Spectroscopy

The goal of this project was to explore a novel approach for identifying presence and potential types of high explosives (HE) in treaty-controlled items with passive neutron sources by using passive neutron transmission spectroscopy. We predominantly look to measure relative elemental abundance of Carbon, Hydrogen, Oxygen, and Nitrogen (CHON) since most relevant materials are certain mix of these elements, as shown in Table 1. Previously, most studies exploring potential identification of CHON elemental content of targets in the vicinity of passive neutron source were focused solely on gamma spectroscopy using high resolution gamma detectors. Using neutron transmission spectroscopy with pulse-shape discrimination (PSD) capable organic scintillators is not only a novel idea in of itself, but arguably necessary for accurate identification of the CHON elemental content of an interrogated target. While high resolution gamma spectroscopy in principle can determine a presence of hydrogen and nitrogen, it is effectively blind to a quantitatively measuring areal densities of C, O. The initially proposed approach, described in detail in the project proposal, was to leverage previous Monte Carlo study on neutron transmission spectroscopy using slab shaped target interrogated with well-collimated (“pencil”) neutron beam. In this study, a simulated test CO 2 target was interrogated by a pencil neutron beam and transmitted neutron spectra were measured using PSD capable organic scintillator using MLEM based unfolding technique. To establish relative elemental content of carbon and oxygen, the unfolded neutron spectrum was fit with a parametrized combination of their respective elemental spectral templates. The individual spectral template was calculated by convoluting ENDF neutron crosssection with the known resolution of the PSD detector used in the study. This approach in the studied configuration successfully quantitatively established relative elemental composition of carbon and oxygen.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND

Breaking the Energy Barrier of Heavy Metal Ion Diffusion in Micropores with Mesoporous 3D Graphene for Fast and Efficient Cu2+ Removal

Efficient removal of heavy metals from water critically depends not only on adsorption capacity but also on ion diffusion kinetics and the associated energy barriers. In conventional carbon adsorbents, severe diffusion confinement within micropores restricts ion transport, resulting in sluggish adsorption kinetics and large apparent activation energies despite high specific surface areas. Here, we demonstrate that this fundamental limitation is overcome by engineering meso/macroporous architectures in the 3D graphene materials synthesized via our discovered alkali-metal reactions with\\\\r\\\\n2\\\\r\\\\nCO. The unique 3D graphene materials possess defect-rich graphene frameworks with interconnected meso/macroporous networks, exhibiting simultaneously high surface area and greatly enhanced meso/macropore volume that enable efficient access to adsorption sites. As a result, the Cu2+ adsorption on 3D graphene proceeds with very low activation energies (4.98 kJ mol–1), which is almost 4 times smaller than on activated carbon (23.1 kJ mol–1). This finding offers a promising platform for efficient and sustainable water purification.

25 ENERGY STORAGE

Leveraging Solar Thermal Energy for Net-Zero Brewing

Firestone Walker Brewing Company (FWBC), Paso Robles, California, owns a 1-million-barrel (BBL) brewery that requires up to 5 MW of process heat in form of saturated steam. Firestone Walker Brewery has set a goal of reducing carbon emissions by 50% for our 1 million BBL brewery.

Palacio, Juan [Firestone Walker Inc., Paso Robles,

Metal–Organic Framework-derived Atomic Metal Sites Promoting Sulfur Cathode for All-Solid-State Lithium–Sulfur Batteries

All-solid-state lithium–sulfur batteries (ASSLSBs) offer high energy density and intrinsic safety; however, they still face major challenges, including sluggish redox kinetics and poor sulfur utilization. Incorporating conductive materials into sulfur cathodes is an effective strategy to mitigate these limitations. Here, a highly conductive cobalt–nitrogen–doped carbon (Co–NC) derived from a metal–organic framework (MOF) is introduced to accelerate charge transfer and promote reversible sulfur conversion. Co−NC provides atomically dispersed Co–N sites and conductive carbon pathways that correlate with improved charge transfer, sulfur utilization, and rate capability. Co–NC@S cathode delivers 1499 mAh g–1 at C/20 with a high sulfur loading (5 mg cm–2) and retains 1292 mAh g–1 after five cycles (vs 443 mAh g–1 without Co–NC). Moreover, Co–NC derived ASSLSB achieves 903 mAh g–1 at 5C at 60 °C. This work provides a practical and effective approach to develop high energy, high-rate ASSLSBs.

25 ENERGY STORAGE

Dual atom catalysts for rapid electrochemical reduction of CO to ethylene

Strong CO adsorption and facile CO dimerization are the key challenges in electrochemical CO2 reduction towards multi-carbon (C2+) products. We recently showed that CoPc immobilized on a single-walled carbon nanotube can selectively reduce CO2 to methanol. This is enabled through molecular strain, which dramatically improves the CO adsorption energy to CoPc, which in turn facilitates methanol formation. We now examine the extended Phthalocyanine (PcEx) dual atom catalyst (DAC), which is intrinsically strained and contains two catalyst centers, making it a candidate for reducing CO to C2+ products. Using Quantum Mechanics (QM), we screened 20 elements embedded in the PcEx, seeking catalysts with weak hydrogen binding, strong CO binding, and facile CO dimerization. We identi>ied Fe, Ru, Co, and Ir as the best performers and subsequently evaluated the entire CO to C2H4 mechanism (9 steps) using each of these elements as catalysts. In terms of limiting potential and overall exergonicity, we identi>ied CoPcEx as the best catalyst, followed by IrPcEx. We then examined the full CO to C2H4 mechanism on the bimetallic IrCoPcEx catalyst using grand canonical QM to obtain the reaction energetics as a function of applied potential. We conclude that the bimetallic IrCoPcEx is most promising for ef>iciently converting CO to ethylene.

Musgrave, Charles B.

Mechanics and Cooling of the CMS Phase-II Tracker Barrel

The CMS upgrade for the High-Luminosity LHC (HL-LHC) era will allow for an incredibly high rate of data collection, to be used in the next generation of precision measurements and searches for beyond the standard model physics. A key element of this upgrade is the full replacement of the silicon strip tracker to enable level-1 triggering on track level primitives, produced by pixel-strip (PS) and strip-strip (2S) modules, tiled together to form the new detector. Mechanically supporting and cooling these modules is not trivial, as material budget in the tracker volume is highly constrained, and as the modules accrue radiation damage they risk becoming entirely non-functional if the silicon sensors are not sufficiently cooled. To address this, each region of the tracker has a bespoke solution for housing and cooling their modules, mostly depending on carbon-fiber and carbon-foam structures, with dual phase CO2 cooling. For the most central part of the tracker, the Flat Barrel with PS modules (Flat TBPS) covers the pseudorapidity range out to $|\eta|=0.4$, and the mechanical structures are manufactured, assembled, and tested entirely by Fermilab and UC Davis. This presentation will describe the intense design and testing requirements for these components, and how they will ensure strong performance of the tracker through the HL-LHC era.

Cosby, Christopher [Fermilab]

Statistical Uncertainty of Inhalation Dose Coefficients: Impact of Particle Deposition in ICRP 66 Human Respiratory Tract Model

Inhaled radioactive materials can pose a long-term health concern, as the material can be incorporated into the body’s metabolic pathways and remain in organs and tissues for extended durations. During the retention period, the radioactive material may localize in a source organ and irradiate adjacent target organs and tissues. Distribution of these materials changes over time, requiring biokinetic modeling to evaluate their movement through various tissues and organs. The evolving distribution depends on multiple inputs characterizing the inhaled material, such as particle size and size distribution, particle density, aspect ratio, specific radionuclide, the chemical form, and solubility. In addition, biological parameters such as breathing rate, breathing type (nasal or nasal/oral), respiratory system morphometry, tidal volume, functional residual capacity, and anatomical dead space all influence material transport. These aerosol properties and physiological characteristics of the respiratory tract jointly define a range of initial conditions that influence the time-dependent distribution of radioactive material. To evaluate both uncertainty in the initial conditions of inhalation exposure and the final output (committed effective dose) from biokinetic models, a Python-based software tool, Radiological Exposure Dose Calculator (REDCAL), was developed to propagate uncertainty within the human respiratory tract model. Focusing on deposition fraction uncertainty, the primary objective was to characterize the initial activity distribution across respiratory regions as a function of anticipated particle sizes and distributions. The impact of the deposition fraction uncertainty was propagated to committed effective dose coefficients for selected radionuclides in a companion publication. For each particle size, a lognormal distribution, characterized by its geometric mean as defined within ICRP Publication 66, serves as the basis for introducing uncertainty into the physical processes governing deposition in various lung regions. Finally, this study addresses the deposition process and examines how uncertainty in deposition mechanisms affects activity distribution in the airways, ultimately presenting the expected range and standard deviation of deposited activity as a function of particle size.

International Commission on Radiological Protectio