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At least 919 records · Page 51

Setting Priorities for Photovoltaic Reliability Research Using Criticality Analysis

A forward-looking research opportunity number (RON) is defined for photovoltaic reliability researchers. The RON enables researchers to prioritize their efforts toward the highest impact. For a given degradation mode, the RON is based on three factors: the effect on levelized cost of electricity, the susceptibility of future module products, and the maturity of accelerated tests that can detect and quantify the mode. Reporting bias is avoided because the RON does not rely on polls. The RON is derived for three example cases: light and elevated temperature degradation, backsheet cracking, and antireflective coating abrasion. Finally, these examples demonstrate that targeted research has reduced the risk for these modes over the last several years.

14 SOLAR ENERGY↗

Virtual Engineering (VE) (vebio)

The Virtual Engineering (VE, vebio) project provides a set of Python modules to enable users to connect mathematical models of unit operations to predict outcomes for an entire chemical process. This VE approach is currently being developed to support the beginning-to-end simulation of the low-temperature conversion of lignocellulosic biomass to a fuel precursor, but the underlying communication functions can be readily extended to connect models from other domains. The models and features currently included in the VE library include a models/simulations for pretreatment, enzymatic hydrolysis, and aerobic bioreaction.

Young, Ethan↗

FY2022 Progress Report for Advanced Re-fabrication/Re-instrumentation Capability Development

In support of performing follow-on irradiation experiments with previously irradiated materials, the Halden Reactor Project developed unique and state of the art capabilities to refabricate and re-instrument previously irradiated materials. Such materials were used in in-pile tests at the Halden reactor, and out-of-pile tests for example using furnaces as a heat source. The decision to close the Halden Reactor Project results in the loss of this refabrication and re-instrumentation capability. As a result, the United States (U.S.) Department of Energy (DOE) has determined to develop refabrication and re-instrumentation capability at the unique shielded facilities at Idaho National Laboratory (INL). The development of refabrication capability has been completed and demonstrated. This report focuses on the complementary aspects of reinstrumentation and the progress to-date. Halden spent nearly 30 years developing both refabrication and re-instrumentation. Collaboration with Halden is allowing Idaho National Laboratory (INL) to develop this capability much more rapidly. In FY-21 the results include development of the capability to drill annular center holes in ceramic UO2 fuel pellets, development of fuel rod end caps with feedthroughs for centerline instrumentation inside the rodlet, The procurement of both fuel drilling and welding demonstration equipment from Halden, evaluation of surface thermocouple attachments to support better understanding of temperature measurement uncertainties, and finally, the conceptual design of a new shielded enclosure where advanced refabrication and re-instrumentation equipment can be housed. In FY-22, the results include; Completing set up of the drilling and welding modules procured from Halden, and early experimental trials using that equipment.; Completing set up of an out-of-cell circumferential weld system to allow for further weld development to take place and support fabrication of fuel for fresh fuel experiments.; Evaluation of the Hot Fuel Examination Facility (HFEF) infrastructure to support future installation of advanced re-fabrication/re-instrumentation equipment, specifically related to necessary infrastructure for cryo-drilling.; Developments in dry-drilling alternative. Including experimental studies showing cordierite is the most suitable surrogate for UO 2 for performing drilling studies. That drilling performance is enhanced when a fuel-clad bonding condition is simulated.; Conceptual design completed for attaching surface thermocouples to irradiated fuel in support of TWIST capsule experiments. The authors would like to thank the numerous colleagues at INL and Halden who provided support in accomplishing this work. Their support both material and intellectual is invaluable in advancing the state of the art and establishing the capabilities for refabrication and re-instrumentation at INL.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Assessment of Thermal Stratification in Versatile Test Reactor Transients

The Versatile Test Reactor (VTR) is a fast-spectrum test reactor currently being developed in the United States under the direction of the US Department of Energy. The conceptual design of the 300 MWth pool-type sodium-cooled fast reactor (SFR) has been led by the US National Laboratories in collaboration with General Electric-Hitachi and Bechtel National Inc. Safety performance analysis for the VTR conceptual design is being performed with the systems thermal-hydraulics (SYSTH) module of the SAS4A/SASSYS-1 liquid-metal reactor safety analysis code system. Since the current model of the VTR employs a simple perfect mixing model for large plena like the hot pool, it is not able to predict temperature variations that may develop during the transient. Prior work simulating the response of SFRs to postulated events like the Protected Station Blackout (PSBO) has shown that the phenomenon of thermal stratification, where stable thermal layers accumulate in the hot pool, may delay the transition to natural circulation and thus impact the predicted transient progression. Thus, an effort has begun to model this transient by integrating a Computational Fluid Dynamics (CFD) model of the hot pool into the SAS4A/SASSYS-1 model of the Primary Heat Transport System during the simulation of the PSBO event. A three-dimensional Volume-Of-Fluid CFD model of the VTR hot pool has been developed for the co-simulation of SAS4A/SASSYS-1 with CFD. In this work, the standalone SAS4A/SASSYS-1 calculation and the standalone CFD calculation based on the SAS4A/SASSYS-1 calculation result were produced on the Idaho National Laboratory High Performance Computing cluster, SAWTOOTH. At this time, only the standalone CFD and SAS4A/SASYS-1 simulation results are provided.

99 GENERAL AND MISCELLANEOUS↗

Ingeniously enhanced ferromagnetism in chemically-reduced 2D Ti 3 C 2 T X MXene

Chemical reduction is a facile and cost-effective technique for the modulation of the physical and chemical properties of nanomaterials. In this work, we demonstrate an enhancement of the magnetic behavior of Ti 3 C 2 T x MXene after its chemical reduction via l-ascorbic acid treatment. Small ferromagnetic loops have been observed below 50 K for Ti 3 C 2 T x prepared by hydrofluoric acid (HF) etching of Al layers from Ti 3 AlC 2 . Such a ferromagnetic ordering of spins was significantly enhanced via a chemical reduction of Ti 3 C 2 T x with l-ascorbic acid. Ferromagnetic hysteresis loops were observed for reduced Ti 3 C 2 T x (r-Ti 3 C 2 T x ) up to 150 K indicating a significant upshift of the paramagnetic to the ferromagnetic transition temperature, pushing towards room temperature. The enhancement of ferromagnetism and upshift of the ferromagnetic transition temperature could be attributed to the localized unpaired electron in Ti-3d orbital of the r-Ti 3 C 2 T x crystal and increase in the number of unsaturated Ti atoms upon l-ascorbic acid treatment. Chemical reduction via l-ascorbic acid treatment shows a promising pathway towards the modulation and enhancement of magnetism in various MXene materials for the development of 2D metallic soft ferromagnets and spintronic devices.

36 MATERIALS SCIENCE↗

Temperature-Dependent Mechanical Properties of Ni-Based Concentrated Alloys: Insights from First-Principles Calculations

The present work focuses on predicting temperature-dependent mechanical properties of Ni-based concentrated alloys Ni 18 Cr 10 Co 10 Fe 6 M 4 (abbreviated by X 44 M 4 , with M = Al, V, Mn, Fe, Nb, Mo, and W) using density functional theory (DFT). These predictions are based on shear (plastic) and elastic deformations, utilizing the special quasirandom structure (SQS), the phonon-based quasiharmonic approach (QHA), and the quasistatic approach. The resulting properties include coefficient of thermal expansion via QHA, ideal shear strength (τ IS ), and stable and unstable stacking fault energies (γ SF and γ US ) through pure alias shear deformation, and elastic constants (c ij ), bulk modulus (B 0 ), and shear modules (G 0 ) via elastic deformation. Notably, predicting accurate γ SF is challenging due to uncertainties that can exceed the γ SF values. τ IS and γ US exhibit a strong linear relationship, enabling the accurate prediction of γ US based on the precisely determined τ IS . All mechanical properties of X 44 M 4 decrease with increasing temperature, except for some γ SF cases such as X 44 M 4 with M = V, Mn, Fe, Mo, and W. Among the X 44 M 4 alloys, X 44 Nb 4 exhibits the lowest τ IS , γ US , and G 0 values, and the highest B 0 /G 0 ratio, while X 44 Mn 4 has the lowest B 0 and B 0 /G 0 ratio. We found that volume is a crucial descriptor for understanding and modeling mechanical properties (except B0 and maybe also γ SF ) affected by alloying elements and temperature. Ni-based dilute alloys (e.g., Ni 11 M 1 and Ni 31 M 1 ) and concentrated alloys (e.g., X 44 M 4 ) show similar trends in mechanical properties influenced by alloying elements and temperature, simplifying the analysis and design of Ni-based alloys.

Elastic properties↗

Analytical modeling of the evolution of the nonlinearity parameter of sensitized stainless steel

Austenitic stainless steels are subject to the precipitation of chromium carbides (M 23 C 6 ) during exposure to high temperatures, causing these alloys to be susceptible to intergranular corrosion due to chromium depletion along grain boundaries. The acoustic nonlinearity parameter, β, shows sensitivity to the formation of carbides in these alloys. The Thermo-Calc TC-PRISMA module was used to model the nucleation and growth of grain boundary M 23 C 6 carbides. The model was verified with scanning transmission electron microscopy analysis that allowed measurements of the grain boundary precipitates. The paper introduces a reduced-order model of the acoustic nonlinearity based on the formation of misfit dislocations at the interface of the grain boundary precipitate and matrix to explain the change in β during isothermal aging. Furthermore, a direct relationship between the radius of the M 23 C 6 grain boundary carbides and β was observed and verified with nonlinear ultrasound measurements on 304L and 316L stainless steels.

36 MATERIALS SCIENCE↗

Millimeter-wave high-wavenumber scattering diagnostic developments on EAST and NSTX-U

A pioneering 4-channel, high-k poloidal, millimeter-wave collective scattering system has been successfully developed for the Experimental Advanced Superconducting Tokamak (EAST). Engineered to explore high-k electron density fluctuations, this innovative system deploys a 270 GHz mm-wave probe beam launched from Port K and directed toward Port P (both ports lie on the midplane and are 110° part), where large aperture optics capture radiation across four simultaneous scattering angles. Tailored to measure density fluctuations with a poloidal wavenumber of up to 20 cm -1 , this high-k scattering system underwent rigorous laboratory testing in 2023, and the installation is currently being carried out on EAST. Its primary purpose lies in scrutinizing ion and electron-scale instabilities, such as the electron temperature gradient (ETG) mode, by furnishing measurements of the k θ (poloidal wavenumber) spectrum. This advancement significantly bolsters the capacity to probe high-k electron density fluctuations within the framework of EAST. Finally, beam tracing and data interpretation modules developed for both EAST and NSTX-U high-k scattering diagnostics are described.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Scalable Solar Fuels Production in A Reactor Train System by Thermochemical Redox Cycling of Novel Nonstoichiometric Perovskites

Hydrogen production via two-step thermochemical water splitting redox cycles using nonstoichiometric redox-active metal oxides has the potential to dramatically increase fuel production rates. At moderate-to-low water splitting temperatures, surface reaction kinetics co-limit the process. In such cases, stable and high surface area microstructures that allow exploitation of the full thermodynamic potential of the materials are essential as is tight thermal integration of the reactor module. This project’s goals were the development of novel nonstoichiometric perovskite oxides with high stability and favorable thermodynamic and kinetic properties, to optimize their microstructure for maximizing the fuel productivity, and to build a prototype reactor train system (RTS) comprising at least one reactor to meet specific performance targets: (1) capable of an in-house solar thermochemical hydrogen (STCH) productivity ≥ 12 mL g -1 for stable continuous operation ≥ 20 cycles; and (2) demonstration of scalable solar fuels production at practical solar reactor level in an industrial-scale concentrated solar tower (CST) using developed perovskites to achieve a hydrogen production rate ≥ 1 g h -1 .

08 HYDROGEN↗

Ubiquity of amplitude-modulated magnetic ordering in the H - T phase diagram of the frustrated non-Fermi-liquid YbAgGe

YbAgGe contains a magnetic geometrically frustrated kagome-like lattice that also features significant local single-ion anisotropy. The electronic state is established by hybridization of 4f and conduction electrons leading to heavy electronic masses. The competition between these various interactions leads to nontrivial behavior under external magnetic field, including a sequence of magnetic phase transitions, non-Fermi-liquid states, and possibly a quantum critical point. We present a series of neutron diffraction experiments performed in the mK temperature range and under magnetic fields up to 8 T in the hexagonal plane, revealing the microscopic nature of the first four subsequent magnetic states of this phase diagram. The magnetic phases are associated with the propagation vectors K 1 =($\frac{1}{3}$ 0 $\frac{1}{3}$) for H < 2 T, K 2 = (0 0 0.32) for 2 T < H < 3 T, K 1 = ($\frac{1}{3}$ 0 $\frac{1}{3}$) for 3 T < H < 4.5 T and k 3 = (0.195 0.195 0.38) for 4.5 T < H < 7 T. Our structural refinements reveal a strong modulation of the magnetic moment amplitude in all phases. We observe that the ordered moments of the three magnetically different Yb sites become increasingly different in field, which complies with the principle local anisotropy directions relative to the field direction. While the ordered moments are aligned predominantly in the hexagonal plane, we also find a significant out-of-plane component and a ferromagnetic contribution above 2 T. Here we discuss possible scenarios that may evolve around the phase boundary at 4.5 T, which is associated with putative quantum criticality as identified by various bulk probes. We propose further steps that are required to better understand the microscopic interactions in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Enhancing lifetime, forecasting, and economic benefits of photovoltaic technologies undergoing UV-induced degradation with optical filtering

Ultraviolet-induced degradation (UV-ID) of various PV cell types was analyzed under optical UV filters with different cutoff wavelengths. Cell types studied included interdigitated back contact (IBC), passivated emitter and rear totally diffused (PERT), and heterojunction technology (HJT) based on crystalline Si (c-Si), and metal halide perovskite (MHP) cells. Analyzing degradation rates in two distinct regimes proved beneficial for all cell types. We used empirical linearizing functions ln(t) for c-Si technologies and 2 √t for MHP samples where t is time. These were applied to extrapolate UV-induced degradation over the lifetime of PV modules under various levels of optical UV filtering and used to predict the relative economic benefits for PV power plants. Degradation rates for all technologies were generally faster under the long pass optical filters having shorter cutoff wavelengths transmitting more UV irradiation and at elevated temperatures when testing MHP samples in the range between 60 °C and 90 °C.

14 SOLAR ENERGY↗

Two Year Cosmology Large Angular Scale Surveyor (CLASS) Observations: Long Timescale Stability Achieved with a Front-end Variable-delay Polarization Modulator at 40 GHz

The Cosmology Large Angular Scale Surveyor (CLASS) is a four-telescope array observing the largest angular scales (2≲ ℓ ≲ 200) of the cosmic microwave background (CMB) polarization. These scales encode information about reionization and inflation during the early universe. The instrument stability necessary to observe these angular scales from the ground is achieved through the use of a variable-delay polarization modulator as the first optical element in each of the CLASS telescopes. Here, we develop a demodulation scheme used to extract the polarization timestreams from the CLASS data and apply this method to selected data from the first 2 yr of observations by the 40 GHz CLASS telescope. These timestreams are used to measure the 1/f noise and temperature-to-polarization (T → P) leakage present in the CLASS data. We find a median knee frequency for the pair-differenced demodulated linear polarization of 15.12 mHz and a T → P leakage of <3.8 × 10 -4 (95% confidence) across the focal plane. We examine the sources of 1/f noise present in the data and find the component of 1/f due to atmospheric precipitable water vapor (PWV) has an amplitude of 203 ± 12 µK RJ $\sqrt{{s}}$ for 1 mm of PWV when evaluated at 10 mHz; accounting for ~17% of the 1/f noise in the central pixels of the focal plane. In conclusion, the low levels of T → P leakage and 1/f noise achieved through the use of a front-end polarization modulator are requirements for observing of the largest angular scales of the CMB polarization by the CLASS telescopes.

79 ASTRONOMY AND ASTROPHYSICS↗

A multiphysics model of the versatile test reactor based on the MOOSE framework

The traditional modeling approach for sodium fast reactor cores relies on separate physics models, where the fuel performance, thermal–hydraulics, and neutronics calculations required to predict the core physics characteristics for nominal conditions are decoupled by relying on user-imposed boundary conditions. Here, this paper aims at evaluating the impact of multiphysics simulations for predicting the core characteristics of the Versatile Test Reactor, which is being designed as a 300-MWt sodium-cooled fast reactor. The purpose of the Versatile Test Reactor is to accelerate the testing of advanced nuclear materials in the United States. The proposed multiphysics model relies on the Griffin reactor physics code, the SAM thermal–hydraulic system code, the BISON fuel performance code, as well as generic Multiphysics Object-Oriented Simulation Environment capabilities implemented in the open-source tensor mechanics module. For k eff calculations, the introduction of a tight coupling between the neutronics, thermo-mechanical and thermal–hydraulics models induces a change of around 543 pcm in the eigenvalue, compared to the traditional standalone neutronics calculation where approximate temperature profiles are used. The multiphysics model is then employed for quantifying the impact of the thermal conductivity uncertainties on some of the key figures of merit, such as the fuel centerline temperature, assembly powers, and keff for nominal core conditions. As anticipated, uncertainties on fuel thermal conductivity mostly impact the fuel centerline temperature, and to a lesser extend the k eff .

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Probing Electronic and Structural Transformations during Thermal Reduction of the Promising Water Splitting Perovskite BaCe 0.25 Mn 0.75 O 3

Here, in this report, we investigate the thermal reduction of the octahedral perovskite BaCe 0.25 Mn 0.75 O 3 (BCM) using in situ electron energy loss spectroscopy (EELS) in an aberration-corrected transmission electron microscope (TEM). The 12R-polytype of BCM is known to demonstrate high solar thermochemical hydrogen production capacity. In situ EELS measurements show that Mn is the active redox cation in BCM, undergoing thermal reduction from Mn 4+ to Mn 3+ during heating to 700 °C inside the TEM under a high vacuum. The progressive reduction of Mn 4+ during oxygen vacancy (O v ) formation was monitored as a function of temperature. Additionally, atomic-resolution scanning transmission electron microscopy identified two different types of twin boundaries present in the oxidized and reduced form of 12R-BCM, respectively. These two types of twin boundaries were shown, via computational modeling, to modulate the site-specific O v formation energies in 12R-BCM. It is concluded that these types of atomic defects provide sites more energetically favorable for O v formation during thermal reduction.

36 MATERIALS SCIENCE↗

Dynamical Janus Interface Design for Reversible and Fast-Charging Zinc–Iodine Battery under Extreme Operating Conditions

Aqueous zinc (Zn) iodine (I 2 ) batteries have emerged as viable alternatives to conventional metal-ion batteries. However, undesirable Zn deposition and irreversible iodine conversion during cycling have impeded their progress. Here, to overcome these concerns, we report a dynamical interface design by cation chemistry that improves the reversibility of Zn deposition and four-electron iodine conversion. Due to this design, we demonstrate an excellent Zn-plating/-stripping behavior in Zn||Cu asymmetric cells over 1000 cycles with an average Coulombic efficiency (CE) of 99.95%. Moreover, the Zn||I 2 full cells achieve a high-rate capability (217.1 mA h g –1 at 40 A g –1 ; C rate of 189.5C) at room temperature and enable stable cycling with a CE of more than 99% at -50 °C at a current density of 0.05 A g –1 . In situ spectroscopic investigations and simulations reveal that introducing tetraethylammonium cations as ion sieves can dynamically modulate the electrode–electrolyte interface environment, forming the unique water-deficient and chloride ion (Cl – )-rich interface. Such Janus interface accounts for the suppression of side reactions, the prevention of ICl decomposition, and the enrichment of reactants, enhancing the reversibility of Zn-stripping/-plating and four-electron iodine chemistry. This fundamental understanding of the intrinsic interplay between the electrode–electrolyte interface and cations offers a rational standpoint for tuning the reversibility of iodine conversion.

25 ENERGY STORAGE↗

Eocene-Oligocene Metamorphism, Fluid Flow and Deformation in the Ruby Mountains-East Humboldt Range Metamorphic Core Complex

Metamorphic core complexes are ubiquitous in collapsed orogens globally and play a primary role in crustal exhumation. Here, we investigate the metamorphic history of the Ruby Mountains-East Humboldt Range metamorphic core complex, Nevada, using petrochronology to understand how magmatism, metamorphism and deformation interact to modulate crustal rheology, and the timing of exhumation within the Sevier orogenic belt. Field study, microstructural analysis, thermobarometry and laser ablation split-stream monazite, titanite and allanite petrochronology of the mylonitic footwall were integrated to elucidate the pressure-temperature-time (P-T-t) evolution. Major-, trace-element and quartz-in-garnet thermobarometry show peak metamorphism occurred at 5.5–6 kbar and 600–650°C across the study area. Monazite and titanite U-(Th)-Pb petrochronology constrain this episode of metamorphism to 88–81 Ma with the structurally deepest samples yielding dates down to ca. 71 Ma. The preservation of peak metamorphic mineral assemblages indicates these rocks remained at near-peak temperature conditions into the Cenozoic. Cenozoic metamorphism occurred during a punctuated episode contemporaneous with the Great Basin ignimbrite flare up. All samples show a distinct 39–37 Ma population of monazite, titanite and allanite dates that correlate with the emplacement of quartz diorite and gabbro intrusions throughout the footwall. Accessory phases contain zoning textures in backscattered electron images that are consistent with fluid-mediated dissolution-reprecipitation reactions. The U-(Th)-Pb analyses from these zones yield 39–27 Ma dates interpreted as the timing of fluid flow. The results of this study elucidate the integrated importance of magmatism, melting and fluid flow in driving the coupled evolution of Late Cretaceous metamorphism within the Sevier hinterland and the subsequent Cenozoic metamorphic core complex development that exhumed the middle crust.

58 GEOSCIENCES↗

Space-time crystalline order of a high-critical-temperature superconductor with intrinsic Josephson junctions

Abstract We theoretically demonstrate that the high-critical-temperature (high- T c ) superconductor Bi 2 Sr 2 CaCu 2 O 8+ x (BSCCO) is a natural candidate for the recently envisioned classical space-time crystal. BSCCO intrinsically forms a stack of Josephson junctions. Under a periodic parametric modulation of the Josephson critical current density, the Josephson currents develop coupled space-time crystalline order, breaking the continuous translational symmetry in both space and time. The modulation frequency and amplitude span a (nonequilibrium) phase diagram for a so-defined spatiotemporal order parameter, which displays rigid pattern formation within a particular region of the phase diagram. Based on our calculations using representative material properties, we propose a laser-modulation experiment to realize the predicted space-time crystalline behavior. Our findings bring new insight into the nature of space-time crystals and, more generally, into nonequilibrium driven condensed matter systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Decoupling of Arctic variability from the North Pacific in a warmer climate

The sea level pressure variability in the North Pacific modulates the climate of the Arctic and surrounding continents, substantially impacting ecosystems and indigenous communities. Our analysis based on data from the CESM2 Large Ensemble and different Model Intercomparison Project datasets reveals that the interannual variability of Arctic surface air temperature (SAT) gradually decouples from the contemporaneous atmospheric conditions over the North Pacific as external forcing increases in intensity in the future. Future projections show that the North Pacific-Arctic relationship during the fall season consistently weakens in magnitude until the end of this century, and in the 22nd and 23rd centuries, the relationship is negligible throughout the year. We show that under increased greenhouse gas emissions, the regional heat fluxes extensively control the Arctic temperature variability, and the strength of the projected North Pacific-Arctic relationship is strongly dependent on the Arctic sea ice extent. Our results suggest that under future warming, a strong coupling of Arctic SAT with the underlying ocean and a weakening of the meridional pressure gradient driven by an enhanced rate of sea ice retreat will weaken the interannual footprint of North Pacific variability on Arctic SAT. Therefore, we propose that the alarming rate of sea-ice decline over recent decades and projected in the near future could accelerate the rate of decoupling. Further, we suggest that mitigation strategies for the Arctic should focus on regional mechanisms operating on interannual and seasonal timescales.

54 ENVIRONMENTAL SCIENCES↗