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At least 469 records · Page 26

Solar Photovoltaic and Storage Supply Chains and Technology and Market Opportunities

This talk will highlight the most recent efforts from the National Renewable Energy Laboratory (NREL) to track solar photovoltaic (PV) and storage supply and demand in the United States and globally, as well as bottom-up calculations of manufacturing costs for facilities across the globe. We will begin with an overview of the global solar PV supply chain and 2022 benchmark input data used for NREL's bottom-up crystalline silicon (c-Si) and thin film PV module manufacturing cost models. For the polysilicon, wafer, cell conversion, and module assembly steps of the c-Si supply chain, and for thin film modules, we will review the industry-collected input data and methods used for calculating the costs of goods sold (COGS); research and development (R&D) expenses; and sales, general, and business administration (S, G, and A) expenses. This 2022 benchmark analysis is compiled for state-of-the-art c-Si and thin film PV module manufacturing in several countries and regions; and will also include a quantified summary of the impacts of the manufacturing incentives and tax credits that are available for solar manufacturing and installations within the United States. Next generation technologies that lower PV manufacturing and installation costs, reduce operations and maintenance (O&M) expenses, and improve system energy yield will also be highlighted. We will conclude with projections of solar market penetration to 2050 from NREL's Solar Futures Study and Annual Technology Baseline (ATB) model, which includes solar coupled with lower-cost storage scenarios as well as the range of future cost scenarios for other power generation sources. We look forward to sharing NREL's extensive work in these areas and discussing ideas for future directions.

economics↗

Lead Isotope Fingerprinting of Nanoscale Mineral Particles via Single Particle Inductively Coupled Plasma Mass Spectrometry

Determining lead (Pb) isotopic ratios is of broad interest across chemical disciplines for source tracing and age determinations, but the technique is inherently limited when multiple sources of Pb are present in a single sample. Single particle methods offer a solution to directly resolve multiple distinct isotopic ratios within individual samples. In this study, single particle inductively coupled plasma-mass spectrometry (spICP-MS) was performed using time-of-flight (TOF) and multicollector (MC)-based platforms to measure the Pb isotopic composition of individual nanoscale particles. Distinct Pb isotope ratios were measured in particles from four powdered galena samples of different origins (average single-particle 206Pb/207Pb ratios ranging from 0.91 to 1.28) using both the TOF and the MC-based platforms. Differentiation of galena particles in a mixture (liberated grains and those hosted in a silicate matrix) was possible due to detecting their unique multielemental fingerprints. The differing behavior of the two galena samples during digestion was investigated; undigested galena particles trapped within silicate minerals were detected using spICP-MS, which has implications for Pb recovery in bulk-scale isotopic analysis. The multinuclide detection capability of the ICP-TOF-MS instrument allowed for the simultaneous detection of secondary constituent elements within the nanoparticles and the identification of multiple populations of isotopically distinct Pb-bearing particles in a copper ore sample, whereas the increased sensitivity of the MC instrument enabled quantification of 204Pb, allowing differentiation using multiple isotopic ratios. A single particle isotope ratio analysis module was developed within an open-source spICP-TOF-MS data processing platform, enabling its adoption across chemical disciplines.

Goodman, Aaron J. [University of Montreal, Quebec,↗

Directly Embedded Ni3S2/Co9S8@S-Doped Carbon Nanofiber Networks as a Free-Standing Anode for Lithium-Ion Batteries

Transition metal sulfides as electrode materials for lithium-ion batteries have attracted significant research attention due to their high theoretical capacity, excellent redox reversibility, and earth abundance. However, this material family still suffers from poor conductivity and experiences huge volume changes. Here, we demonstrate a facile and scalable electrospinning method to prepare Ni3S2 and Co9S8 nanoparticles embedded in sulfur doped carbon nanofiber networks as a free-standing anode material for lithium ion batteries. Similar to literature findings, the coupling of two different metal sulfides indeed synergistically promoted the electrochemical performance. Embedding them within individual carbon nanofibers not only enhances the intrinsic conductivity, but also provides a highly stable structure, which results in excellent battery performance. Furthermore, the individual carbon nanofibers intertwine with each other to form a free-standing 3D nanofiber network which acts as a freeway network for fast electron transfer and the pores between fibers allow easy penetration of the electrolyte, namely easy lithium ion access to active nanoparticles. When directly applied as the anode in lithium ion batteries, the free-standing nanofiber mat bypassed all slurry making steps and showed excellent cycling stability with a high specific capacity of 528 mA h g-1 after 200 cycles at a current density of 300 mA g-1. Good rate capability was also obtained. Additionally, the charge storage process analysis indicated that the pseudocapacitive behavior of the material is attributed to its good performance. This work introduces a facile strategy to simultaneously and in situ generate Co9S8 and Ni3S2 nanoparticles within a S-doped carbon fiber matrix via facile electrospinning followed by a one-step heating procedure. It is demonstrated that the free-standing transition bimetallic sulfide nanofibers prepared are very promising for light and small battery applications.

ADVANCED PROPULSION SYSTEMS,ENERGY STORAGE↗

Pulsed radio frequency power modulation for profile control in cryogenic reactive ion etching of silicon gratings

Cryogenic silicon etching with SF 6 /O 2 plasmas enables vertical sidewalls and smooth surfaces for high–aspect-ratio structures, yet precise control of etched profiles (sidewall angle, lateral etching, and linewidth retention) remains challenging under continuous-wave excitation due to coupling among radical fluxes, ion energy distributions, and in situ passivation dynamics. In this work, we investigated pulsed radio frequency bias delivery as a process knob for profile control during cryogenic silicon etching. Systematic experiments on 500 nm-wide, 1 μm-pitch gratings etched to 0.8–1.1 μm depth at 0.5–2 kHz pulsing frequency and 25%–75% duty cycle revealed strong dependencies of etch rate, linewidth, and sidewall angle on modulation conditions. We proposed a conceptual kinetic picture combined with feature-scale electrostatic analysis to understand the alternation of ion-driven etching and passivation recovery between on/off segments and local electric field shaping and modulation of ion trajectories within the trench. Moderate duty cycles (50%–75%) near 1 kHz achieved a balance between anisotropy and etch rate. These results demonstrate pulsed-bias modulation can be utilized to tune directionality and sidewall preservation in cryogenic SF 6 /O 2 etching, which are relevant to photonic, metrology, and quantum device fabrication.

36 MATERIALS SCIENCE↗

Signatures of aerosol-cloud interactions in GiOcean: a coupled global reanalysis with two-moment cloud microphysics

Aerosols influence the Earth's radiative balance through direct interactions with radiation and by affecting cloud properties. Anthropogenic aerosols have led to cooling during the industrial era through aerosol–cloud interactions (ACI), including aerosol effects on cloud microphysical properties and the subsequent adjustments. However, large uncertainties remain in Earth system models (ESMs) regarding the magnitude of this cooling. In part, ESMs substantially disagree on cloud properties, thermodynamics, the hydrological cycle, and general circulation. Reanalysis provides a useful avenue for exploring the impact of ACI on clouds and radiation because its atmosphere is forced to match realistic conditions through the assimilation of observations. Here, we explore the impact of ACI on clouds in the GiOcean reanalysis – the first to incorporate aerosol-cloud interactions. We contrast variables important for ACI between GiOcean and satellite observations and develop 2-dimensional lookup tables of ACI for both using a source-sink budget perspective to attribute the changes in cloud droplet number (Nd) and liquid water path (LWP) to aerosol and meteorology. A compositing analysis using lookup tables shows that GiOcean captures key aspects of aerosol–cloud–precipitation interactions, including (1) activation of aerosol into cloud droplets, (2) effective precipitation scavenging of Nd, (3) suppression of precipitation by high Nd in regions with heavy aerosol emissions. In contrast, satellite observations do not exhibit clear patterns for processes (2) and (3). Random Forest analysis shows that interannual variability in Nd and LWP over the Northern Hemisphere ocean in GiOcean is primarily driven by precipitation, consistent with satellite observations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Planck constraints and gravitational wave forecasts for primordial black hole dark matter seeded by multifield inflation

Here, we perform a Markov Chain Monte Carlo analysis of a simple yet generic multifield inflation model characterized by two scalar fields coupled to each other and nonminimally coupled to gravity, fit to Planck 2018 cosmic microwave background (CMB) data. In particular, model parameters are constrained by data on the amplitude of the primordial power spectrum of scalar curvature perturbations on CMB scales A s , the spectral index n s , and the ratio of power in tensor to scalar modes r, with a prior that the primordial power spectrum should also lead to primordial black hole (PBH) production sufficient to account for the observed dark matter abundance. We find that n s in particular controls the constraints on our model. Whereas previous studies of PBH formation from an ultraslow-roll phase of inflation have highlighted the need for at least one model parameter to be highly fine-tuned, we identify a degeneracy direction in parameter space such that shifts by ~10% of one parameter can be compensated by comparable shifts in other parameters while preserving a close fit between model predictions and observations. Furthermore, we find this allowed parameter region produces observable gravitational wave signals in the frequency ranges to which upcoming experiments are projected to be sensitive, including Advanced LIGO and Virgo, the Einstein Telescope, Cosmic Explorer, DECIGO, and LISA.

79 ASTRONOMY AND ASTROPHYSICS↗

Coupled Aero-Hydro-Mechanical Hybrid Simulation Testing of Offshore Wind Turbines Subjected to Operational and Extreme Loading Conditions

Understanding the response of the Offshore Wind Turbine (OWT) subjected to realistic applied loads requires modeling the whole structure including its soil-foundation system. This requires unique and innovative testing facilities. OWT systems experience cyclic and dynamic loading due to wind, wave, current, rotor vibrations (i.e., 1P load) and vibrations caused by the blade shadowing effects (2P/3P loads). These loads are complicated in nature and have varying amplitudes, frequencies, and directions. Investigating the response of the entire OWT system including the soil-foundation system under these complex loading conditions, requires: (1) full understanding of the loading characteristics including: the power take-off mechanical load (1P and 3P), and areo- and hydrodynamic loads that the OWT system is subjected to; (2) testing facility with unique multidirectional loading capabilities that allows for simultaneous application of realistic wind, wave and machine loads, axial gravity loads, and induced overturning moments; and (3) unique and cost-effective testing techniques that allow for accurate analysis of the overall response of the OWT system under realistic conditions such as: Real-Time Hybrid Simulation (RTHS).

17 WIND ENERGY↗

Model-Based Energy and Cost Analysis of Direct Air Capture Using ePTFE-Based Laminate-Structured Gas–Solid Contactors

Carbon dioxide removal (CDR) technologies will play a significant role in limiting global warming if implemented on a large scale. Direct air capture (DAC) is a scalable approach for removing atmospheric carbon, yet the true scope of its scalability remains unclear due to the early stage of technology development and high first plant costs. This study provides groundwork for understanding the technoeconomic trade-offs in developing DAC systems using laminate-structured gas–solid contactors, encompassing the analysis of both contactor and process design spaces. The robust mass transfer and process models outlined in this study provide tools for evaluating DAC processes and designing DAC plants based on cost and energy analysis. First, the key contactor geometrical parameters are identified to understand the CO 2 productivity–energy demand trade-offs, where geometries yielding higher mass transfer rates can achieve higher CO 2 productivities at the expense of energy consumption by fans and steam use. Next, a detailed process parametric study is conducted for DAC systems coupled with steam-assisted temperature-vacuum swing adsorption (S-TVSA) to visualize the trade-offs in the multidimensional design space. The main cost driver dramatically changes over different process conditions, but the operating cost prevailed on the Pareto front, with potential to operate as low as 150 $/tonne-CO 2 (within the cost range of 148–504 $/tonne-CO 2 in this study where the DAC system is coupled with industrial facilities for steam production).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phonons reveal coupled cholesterol-lipid dynamics in ternary membranes

Experimental studies of collective dynamics in lipid bilayers have been challenging due to the energy resolution required to observe these low-energy phonon-like modes. However, inelastic X-ray scattering (IXS) measurements — a technique for probing vibrations in soft and biological materials — are now possible with sub-meV resolution, permitting direct observation of low energy, phonon-like modes in lipid membranes. Here, in this study, IXS measurements with sub-meV energy resolution reveal a low-energy optic-like phonon mode at roughly 3 meV in the liquid-ordered (L o ) and liquid-disordered (L d ) phases of a ternary lipid mixture. This mode is only observed experimentally at momentum transfers greater than 5 nm -1 in the L o system. A similar gapped mode is also observed in all-atom molecular dynamics (MD) simulations of the same mixture, indicating that the simulations accurately represnt the fast, collective dynamics in the L o phase. It’s optical nature and the Q range of the gap together suggest that the observed mode is due to the coupled motion of cholesterol-lipid pairs, separated by several hydrocarbon chains within the membrane plane. Analysis of the simulations provide molecular insight into the origin of the mode in transient, nanoscale substructures of hexagonally packed hydrocarbon chains. This nanoscale hexagonal packing was previously reported based on molecular dynamics simulations and later by NMR measurements. Here, however, the integration of IXS and MD simulations identifies a new signature of the L o substructure in the collective lipid dynamics, thanks to the recent confluence of IXS sensitivity and MD simulation capabilities.

36 MATERIALS SCIENCE↗

Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, ab initio electronic states in the adiabatic representation

Sodium hydride (NaH) in the gas phase presents a seemingly simple electronic structure making it a potentially tractable system for the detailed investigation of nonadiabatic molecular dynamics from both computational and experimental standpoints. The single vibrational degree of freedom, as well as the strong nonadiabatic coupling that arises from the excited electronic states taking on considerable ionic character, provides a realistic chemical system to test the accuracy of quasi-classical methods to model population dynamics where the results are directly comparable against quantum mechanical benchmarks. Here, using a simulated pump–probe type experiment, this work presents computational predictions of population transfer through the avoided crossings of NaH via symmetric quasi-classical Meyer–Miller (SQC/MM), Ehrenfest, and exact quantum dynamics on realistic, ab initio potential energy surfaces. The main driving force for population transfer arises from the ground vibrational level of the D 1 Σ + adiabatic state that is embedded in the manifold of near-dissociation C 1 Σ + vibrational states. When coupled through a sharply localized first-order derivative coupling most of the population transfers between t = 15 and t = 30 fs depending on the initially excited vibronic wavepacket. While quantum mechanical effects are expected due to the reduced mass of NaH, predictions of the population dynamics from both the SQC/MM and Ehrenfest models perform remarkably well against the quantum dynamics benchmark. Additionally, an analysis of the vibronic structure in the nonadiabatically coupled regime is presented using a variational eigensolver methodology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Application of sensitivity analysis in DYMOND/Dakota to fuel cycle transition scenarios

The ability to perform sensitivity analysis has been enabled for the nuclear fuel cycle simulator DYMOND through its coupling with the design and analysis toolkit Dakota. To test and demonstrate these new capabilities, a transition scenario and multi-parameter study were devised. The transition scenario represents a partial transition from the US nuclear fleet to a closed fuel cycle with small modular LWRs and fast reactors fueled by reprocessed used nuclear fuel. Four uncertain parameters in this transition were studied – start date of reprocessing, total reprocessing capacity, the nuclear energy demand growth, and the rate at which the fast reactors are deployed – with respect to their impact on four response metrics. The responses – total natural uranium consumed, maximum annual enrichment capacity required, total disposed mass, and total cost of the nuclear fuel cycle – were chosen based on measures known to be of interest in transition scenarios and to be significantly impacted by the varying parameters. Furthermore, analysis of this study was performed both from the direct sampling and through surrogate models developed in Dakota to calculate the global sensitivity measures Sobol’ indices. This example application of this new capability showed that the most consequential parameter to most metrics was the share of new build capacity that is fast reactors. However, for the cost metric, the scaling factor of the energy demand growth was significant and had synergistic behavior with the fast reactor new build share.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Conditional diffusion machine-learning framework for mapping valence electron distribution from convergent beam electron diffraction

Quantitative convergent beam electron diffraction (CBED) enables determination of aspherical valence electron distributions through refinement of low-order structure factors, which are highly sensitive to chemical bonding and charge density variations. However, conventional quantitative CBED (QCBED) requires solving a highly nonlinear inverse problem with many coupled parameters, and computationally intensive dynamical diffraction calculations, making it time-consuming and difficult to apply to complex systems. More broadly, reconstructing charge density and orbital electron distribution from diffraction data has long been a central challenge in both x-ray and electron crystallography. Here, in this study, we introduce an artificial-intelligence (AI)-based framework that replaces traditional refinement with a data-driven inverse solver. Using a large synthetic CBED dataset generated by Bloch-wave simulations, we train a conditional diffusion model to directly infer crystal structural parameters and multipole density formalism parameters, and hence valence electron distributions, from CBED patterns alone. By learning from forward simulations across realistic parameter space, the model effectively solves the inverse problem. Compared with direct regression approaches, the diffusion-based framework provides posterior parameter distributions for rigorous uncertainty quantification while preserving quantitative fidelity and reducing analysis time by orders of magnitude. By eliminating the need for external single-crystal x-ray diffraction data and complex nonlinear refinement, this approach enables practical, high-throughput, and in situ quantitative CBED, enabling real-time mapping of valence electron distributions and their correlation with functional responses in quantum and energy materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Direct Evidence for a Sequential Electron Transfer–Proton Transfer Mechanism in the PCET Reduction of a Metal Hydroxide Catalyst

Here, the proton-coupled electron transfer (PCET) mechanism for the reaction M ox -OH + e − + H + → M red -OH 2 was de-termined through kinetic resolution of the independent electron transfer (ET) and proton transfer (PT) steps. The reaction of interest was triggered by visible light excitation of [Ru II (tpy)(bpy′)H 2 O] 2+ , Ru II -OH 2 , where tpy is 2,2′:6′,2″-terpyridine and bpy′ is 4,4′-diaminopropylsilatrane-2,2′-bipyridine, anchored to In 2 O 3 :Sn (ITO) thin films in aqueous solutions. Interfacial kinetics for the PCET reduction reaction were quantified by nanosecond transient absorption spectroscopy as a function of solution pH and applied potential. Data acquired from pH = 5-10 revealed a stepwise electron-transfer proton-transfer (ET-PT) mechanism, while kinetic measurements made below the pK a (Ru III -OH/OH 2 ) = 1.3 were used to study the analogous interfacial reaction where electron transfer was the only mechanistic step. Analysis of this data with a recently reported multi-channel kinetic model was used to construct a PCET zone diagram and supported the assignment of an ET-PT mechanism from pH = 5-10. Ultimately, this study represents a unique example amongst M ox -OH/M red -OH 2 reactivity where the protona-tion and oxidation state of the intermediate was kinetically and spectrally resolved to firmly establish the PCET mechanism.

Charge transfer↗

Plasmonic surface lattice resonances in nanoparticle arrays

This work reviews the literature and provides a detailed computational analysis of the optical properties of one- and two-dimensional arrays of silver and gold nanoparticles, with emphasis on surface lattice resonances (SLRs) that arise when localized plasmon resonances (LSPRs) in the nanoparticles couple to diffraction resonances that are determined by the interparticle spacing to give polariton modes in which the two types of excitations are coherently coupled. The computations are based on the coupled dipole approximation, which provides a nearly quantitative description of the extinction spectra for arrays of this type where the particles are well separated and not too large. The computations are used to determine many characteristics of SLRs associated with the lower polariton mode that is mostly photonic in nature, and we also study the upper polariton that is dominated by the LSPR response, as well as Rayleigh anomalies (RAs) that correspond to purely diffractive excitation. The calculations explore the sensitivity of these excitations to the directions of the incident wave and polarization vectors relative to the array axis, the effect of array spacing and number of particles in the array, and the effect of nanoparticle radius and background refractive indices. Details of the physical mechanisms involved in determining blue- and/or redshifts as structural parameters are varied is provided, with SLR’s being sensitive to far-field coupling, while LSPR’s can also be sensitive to near- and intermediatefield interactions that in some cases are similar to effects found in dye molecule aggregates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Validation of NEAMS Tools Using MSRE Data

This report documents the benchmarks developed and performed for the tools and codes developed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program utilizing the MSRE experiment data. There are three focus areas explored in this work: fuel evolution, CFD, and system transient analyses. Fuel depletion is important for MSR reactor physics and fuel cycle analysis. Fuel depletion capability is currently being developed in the Griffin reactor physics code. To support this, a benchmark problem is developed using the MSRE data and an existing depletion code with flowing fuel analysis functionality (ADDER) to validate this new capability in Griffin. The ADDER calculation is compared with the TRITON-MSR results as well as the MSRE experimental data. This benchmark can be directly used to verify and validate the Griffin fuel depletion capability in future years. For CFD simulation, the MSRE CAD model is obtained from the Copenhagen Atomics and a mesh is generated for the MSRE inlet plenum. The Nek5000 code will be employed to find the flow distribution in the MSRE inlet plenum based on the mesh generated. For system analysis, a simple benchmark problem for three types of MSR system transients is developed. The SAM and SPECTRA codes are used to solve the simple problem, and the results from the two codes agree well. The SAM code is also employed to obtain the frequency response of the MSRE system at the 5 and 8 MWt power levels. The results agree well with the experiment measurements. These verification and validation efforts gives SAM users more confidence in MSR system transient simulations using SAM. Lastly, the SAM-Griffin Multiphysics coupling work is initiated. A simple one-way coupling of evaluating the precursor drift effect on the MSRE k-eff is demonstrated. This preliminary coupling work serves as the basis for future more complex Multiphysics simulation and modelling.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Controlled photo-discharge of dust in a complex plasma

One of the limitations in studying dusty plasmas is that many of the important properties of the dust (like the charge) are directly coupled to the surrounding plasma conditions rather than being determined independently. The application of high-intensity ultraviolet (UV) sources to generate discharging photoelectric currents may provide an avenue for developing methods of controlling dust charge. Careful selection of the parameters of the UV source and dust material may even allow for this to be accomplished with minimal perturbation of the background plasma. The Auburn Magnetized Plasma Research Laboratory (MPRL) has developed a ‘proof-of-concept’ experiment for this controlled photo-discharging of dust; a high-intensity, near-UV source was used to produce large changes in the equilibrium positions of lanthanum hexaboride ( $\textrm {LaB}_6$ ) particles suspended in an argon DC glow discharge with negligible changes in the potential, density and temperature profiles of the background plasma. The shifts in equilibrium position of the dust are consistent with a reduction in dust charge. Video analysis is used to quantify the changes in position, velocity and acceleration of a test particle under the influence of the UV and Langmuir probes are used to measure the effects on the plasma.

Physics↗

National direct-drive program on OMEGA and the National Ignition Facility

A major advantage of the laser direct-drive (DD) approach to ignition is the increased fraction of laser drive energy coupled to the hot spot and relaxed hot-spot requirements for the peak pressure and convergence ratios relative to the indirect-drive approach at equivalent laser energy. With the goal of a successful ignition demonstration using DD, the recently established national strategy has several elements and involves multiple national and international institutions. These elements include the experimental demonstration on OMEGA cryogenic implosions of hot-spot conditions relevant for ignition at MJ-scale energies available at the National Ignition Facility (NIF) and developing an understanding of laser-plasma interactions and laser coupling using DD experiments on the NIF. DD designs require reaching central stagnation pressures in excess of 100 Gbar. The current experiments on OMEGA have achieved inferred peak pressures of 56 Gbar (Regan et al 2016 Phys. Rev. Lett. 117 025001). Extensive analysis of the cryogenic target experiments and two- and three-dimensional simulations suggest that power balance, target offset, and target quality are the main limiting factors in target performance. In addition, cross-beam energy transfer (CBET) has been identified as the main mechanism reducing laser coupling. Reaching the goal of demonstrating hydrodynamic equivalence on OMEGA includes improving laser power balance, target position, and target quality at shot time. CBET must also be significantly reduced and several strategies have been identified to address this issue. (2016-01-01)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗