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

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A smooth contact algorithm for the combined finite discrete element method

From its inception, the combined finite discrete element method has used a distributed potential contact force algorithm to resolve interaction between finite elements. The contact interaction algorithm relies on evaluation of the contact force potential field. The problem with existing algorithms is that the potential field introduces artificial numerical non-smoothness in the contact force. This work introduces a smooth potential field based on the finite element topology, and a generalized contact interaction law is constructed on top of the smooth potential field. Further, a number of validation cases for the proposed algorithm, considering different shapes of discrete elements, are presented, and detailed aspects of the proposed contact interaction law are tested with numerical examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

DFT modelling of explicit solid–solid interfaces in batteries: methods and challenges

Density Functional Theory (DFT) calculations of electrode material properties in high energy density storage devices like lithium batteries have been standard practice for decades. By contrast, DFT modelling of explicit interfaces in batteries arguably lacks universally adopted methodology and needs further conceptual development. In this paper, we focus on solid–solid interfaces, which are ubiquitous not just in all-solid state batteries; liquid-electrolyte-based batteries often rely on thin, solid passivating films on electrode surfaces to function. We use metal anode calculations to illustrate that explicit interface models are critical for elucidating contact potentials, electric fields at interfaces, and kinetic stability with respect to parasitic reactions. The examples emphasize three key challenges: (1) the “dirty” nature of most battery electrode surfaces; (2) voltage calibration and control; and (3) the fact that interfacial structures are governed by kinetics, not thermodynamics. To meet these challenges, developing new computational techniques and importing insights from other electrochemical disciplines will be beneficial.

25 ENERGY STORAGE↗
DOE OSTI2021

Electric fields and potentials in condensed phases

The electric fields and potentials inside and at the interface of matter are relevant to many branches of physics, chemistry, and biology. Accurate quantification of these fields and/or potentials is essential to control and exploit chemical and physical transformations. Before we understand the response of matter to external fields, it is first important to understand the intrinsic interior and interfacial fields and potentials, both classically and quantum mechanically, as well as how they are probed experimentally. Here we compare and contrast, beginning with the hydrogen atom in vacuum and ending with concentrated aqueous NaCl electrolyte, both classical and quantum mechanical electric potentials and fields. Here, we make contact with experimental vibrational Stark, electrochemical, X-ray, and electron spectroscopic probes of these potentials and fields, outline relevant conceptual difficulties, and underscore the advantage of electron holography as a basis to better understand electrostatics in matter.

Kathmann, Shawn M.↗
DOE OSTI2024

A guide on modeling electrostatics of semiconductor detectors in COMSOL Multiphysics ® for DRiFT

Adding a new semiconductor detector into the detector response function toolkit (DRiFT) requires a model of the electric potential and the electric field. To get an accurate electrostatics model, the geometry of the detector should be modeled as closely to the real geometry as feasible, including the semiconductor materials, doping layers and concentrations, and contacts. Since the electric field and potential are used to calculate the induced signal, the results of the detector response functions are largely influenced by the electrostatics models. Initial electrostatics models were completed using Silvaco, however, this document provides guidance on using COMSOL Mulitphysics ® (COMSOL) to model the detectors to give users additional flexibility. Guidance on using COMSOL and its user interface are mostly left out of this document, but best practices for geometry, modeling methods, and data format/exporting are included to help users generate models that are compatible with DRiFT, prevents bugs, issues, and inaccuracies during charge collection calculations. The following summary provides an overview of the document.

42 ENGINEERING↗
DOE OSTI2020

Enhancement of Optical Efficiency of CSP Mirrors for Reducing O&M Cost via Near-Continuous Operation of Self-Cleaning Electrodynamic Screens (EDS). Final Report

Over the past decade, techno-economical advancements in solar energy systems, particularly the improvement in the conversion efficiency of PV modules made with mono-crystalline silicon solar cells from 12% to 20%, as well as the cost reduction in manufacturing by a factor of about 10%, have made it possible to achieve a levelized cost of electricity (LCOE) in PV plants that is comparable to, or less than, the cost of deriving electricity from fossil fuels. Operating PV plants in mid-latitude sun-belt regions, where the solar irradiance level is highest, provides a high annual energy-yield (kWh/kWp) due to two factors: (1) the availability of predictable high solar irradiance throughout the year with the fewest interruptions in solar flux from clouds and rain, and (2) the increased conversion efficiency of crystalline solar cells, as recombination loss has decreased with increased intensity of the sunlight that illuminates the silicon solar cells. Semi-arid and desert regions, however, are plagued by high atmospheric dust concentrations and frequent sand storms. The deposition of a layer of dust on the optical surfaces of solar collectors such as PV modules and concentrating mirrors reduces the transmission efficiency of sunlight that actually reaches the solar cells or receivers, resulting in high energy-yield soiling loss. There are two major cost components to operating a solar plant: (1) installation costs, and (2) operation-and-maintenance (O&M) costs. There is no fuel cost; hence operating a solar plant in a semi-arid or desert region provides high returns on investment if soiling losses are mitigated via efficient cleaning methods and optimized cleaning frequency. If solar collectors are not cleaned, the accumulation of dust layers on solar collectors may cause the operation of such plants in arid regions to become economically unviable. Washing solar collectors with water and detergent, as is most commonly done now, is an efficient method for cleaning. The conventional approach in utility-scale solar plants is to use a large truck with a water tank and pump system for spraying deionized water on the surface of the solar collectors. Robotic cleaning with brushes, used for many solar plants, requires lesser water for cleaning. The water consumed using semi-automated cleaning of PV modules in utility-scale solar plants is approximately 2 liters/m 2 per cleaning cycle. The total optical surface area of the solar collectors in 1 TW-scale solar installation will be more than 3 × 109 m 2 ; hence an enormous amount of water be needed for cleaning. There simply is not enough fresh water in the sun-belt areas of the world for predicted cleaning needs. In solar power plants, the estimated cost of cleaning solar collectors includes expenses related to the equipment used, labor, cost of transportation of water, the energy required for cleaning, plus ancillary costs whereas the cost of water is not considered. The water used is obtained from sources located close to plant sites, unmindful of the environmental and societal impact as the power plants are oftentimes located in regions that face severe drought. This practice is very similar to the cost calculations in deriving the levelized cost of electricity (LCOE) in conventional power plants based on burning fossil fuel such as coal and gas, while disregarding the cost of climate change and health effects. Unless a water-free or low-water cleaning method is established, the expansion of solar plants may lose public support in areas suffering long intervals of drought. The goal of this research project has been the development and application of the Electrodynamic Screen (EDS) as a means for a water-free, scalable cleaning process applicable to solar-power installations, including rooftop applications. We describe here the development of an EDS film-based cleaning process as an emerging method for use on PV modules, parabolic troughs, and heliostats. This report aims to show the feasibility of integrating or retrofitting EDS films onto the optical surfaces of solar collectors (both PV and CSP) while maintaining high transmission or reflection efficiency. The cleaning action provided by the EDS film is an active method to remove dust deposits by electrodynamic force. Current lab-scale prototype EDS films, retrofitted onto solar panels and mirrors, have shown to be capable of maintaining optical transmission or specular-reflection efficiencies higher than 90% of initial values under clean conditions. The optical surfaces of solar collectors laminated with EDS films can remove more than 90% of deposited dust when the EDS is activated for less than two minutes. As an electrodynamic dust removal process, the EDS film-based method is designed primarily for the removal of dust in solar installations located in semi-arid and desert areas, where the atmosphere is often dry and dusty and rainfall is infrequent. While EDS film application minimizes water consumption and facilitates cleaning as frequently as needed, it has limitations in removing contaminants such as soot, organic pollutants deposited as fine films on the surface, and bird droppings. The dust removal efficiency of the EDS is maximum at relative humidity RH is 40 to 50% and decreases at when RH > 65%. Many solar plant sites undergo diurnal and seasonal cycles of high ambient, early afternoon temperatures and an RH that reaches the dew point early in the morning. These variations in atmospheric conditions do not limit the operation of the EDS film. This report presents a brief review of the progress and the potential of EDS film technology for mitigating the impact of dust on solar collectors via water-free cleaning, as well as current technical challenges regarding efficiency and durability. Our experimental data on the performance of EDS films show that: (1) the dust-removal efficiency (DRE) can reach levels higher than 90%, (2) the specular reflectivity (SR) of EDS film-laminated second-surface mirrors reach levels in excess of 90%, (3) the specular reflectivity restoration (SRR) can exceed 90%, (4) the output-power restoration (OPR) of PV modules can exceed 95%, and (5) the optical transmission efficiency (TE) of the EDS films can be greater than 90%. Working with Sandia National Laboratories (NM), Corning Research and Development Corporation (NY), Eastman Kodak (NY), Tomark-Worthen Industries (NH), and EDS Chile SPA (Chile), we have produced EDS film-laminated PV modules and demonstrated their self-cleaning functions without requiring water. We have demonstrated that the operational range of EDS films will cover the expected ambient temperature of solar fields at RH cycling varying from 20 to 95% as long as the EDS films are activated in the RH range 20 to 50%. (Typical solar-field climates in deserts and semi-arid lands often reach near dew point in coastal areas.) Our experiments on the application of hydrophobic-fluorinated nanoparticle coatings on EDS film surfaces show that the EDS operational range can be extended to higher RH levels that approach the dew point. At Eastman Kodak, as one of our industrial partners, we were able to establish a process for manufacturing EDS films using flexographic printing of the electrodes onto transparent polymer films. This process utilizes an existing manufacturing line at Eastman Kodak that allows fabrication of medium-scale EDS films (26 cm × 30 cm). The manufacturing process has the capacity to produce EDS films at high production speeds. The medium-scale EDS films that have been printed at Kodak were evaluated in the lab at Boston University. The EDS films produced at Kodak were laminated at Tomark-Worthen using an industrial scale vacuum laminator to produce EDS film stacks, which can be affixed onto the optical surfaces of PV modules or concentrating mirrors. The EDS film stack consists of the EDS films that have Willow® Glass (WG) which has a thickness of 100 μm as the front surface. The WG sheets obtained from Corning Research and Development Corporation are customized in size and shape to cover the active area of the EDS films. The back surface of the EDS film stack is integrated onto the optical surface of the solar panel or mirror using optically clear adhesive (OCA) films or silicone adhesives. The OCA films (thickness 25 μm) are produced by 3M. The EDS film stacks have the architecture: WG/OCA/EDS Film/OCA/ over PV module or solar mirror. The power-supply units needed for activating the electrodes of the EDS film were designed and produced at Boston University. These power supply units provide three-phase, 1.2 kV voltage pulses at a very low current (micro-ampere) level and at a low frequency (≈ 5 Hz). The voltage pulses are applied to the electrodes in a sequence such that the train of pulses resembles a unidirectional traveling wave of electrical field on the surface of the EDS film. The dust particles on the surface become charged electrostatically and are levitated by the Coulomb force. The lateral sweeping action of the traveling electric field created by the three-phase voltages pulses then sweeps the dust off the surface. The energy consumed by the EDS electrodes is less than 0.2 Wh/m 2 /cleaning cycle, enabling energy-efficient restoration of output power (OPR) of PV module or specular reflectivity restoration (SRR) for solar mirrors. The EDS system consists of (1) an EDS film stack laminated onto the solar collectors, (2) connection of the EDS film to its power supply unit and (3) Interconnection of the power supply to PV modules or solar mirrors. Design, construction and assessment of field-testing units that have EDS stack laminated PV modules for evaluating the performance of the EDS films in solar fields is being carried out at BU. Our progress under this project, aimed at the advancement of EDS film technology, has reached DOE Technology Readiness Level (TRL) 6. Based on the extensive laboratory evaluations and limited field trials, as well as contacts with potential users, we believe that the technology has reached its commercial stage. We are conducting a cost analysis using the National Renewable Energy Laboratory (NREL) System Advisory Model (SAM) and are preparing for field trials of EDS films in different solar fields in the US, Chile, India and in the Middle East. A brief description of EDS film performance, construction and testing of the field-test unit, autonomous operation of the field-test unit for evaluating EDS performance in increasing energy yield, associated revenue savings, and water conservation is presented.

14 SOLAR ENERGY↗
DOE OSTI2021

Unraveling the hysteretic behavior at double cations-double halides perovskite - electrode interfaces

Despite over a decade of research on metal halide perovskites (MHPs) in the context of photovoltaic applications, understanding the nature of electronic and ionic processes associated with current-voltage (I-V) hysteretic behavior has been limited. Here, we explore the hysteretic behavior in (FAPbI 3 ) 0.85 (MAPbBr 3 ) 0.15 perovskite devices with lateral Cr electrodes by applying first order reversal curve (FORC) bias waveform in I-V, Kelvin probe force microscopy (KPFM) measurements, and in-situ chemical imaging by time-resolved time-of-flight secondary ion mass spectrometry (tr-ToF-SIMS). In dark, we reveal pronounced hysteretic behaviors of charge dynamics in the off-field by probing time-dependent current and contact potential difference (CPD). Under illumination, transient and hysteretic behaviors are significantly reduced. The tr-ToF-SIMS results reveal that the hysteretic behaviors are strongly associated with accumulation of Br- ions at the interfaces. In addition, the low mobility MA + ions result in transient behavior and contribute to the hysteretic phenomena. It was shown that Pb 2+ ions can be reduced at the interfaces due to electrochemical reactions with the electrode in the presence of charge injection and photogenerated charges. Furthermore, these hysteretic behaviors associated with charge dynamics, ion migration, and interfacial electrochemical reaction are critical to further improve the performance and stability of MHPs photovoltaics and optoelectronics.

42 ENGINEERING↗
DOE OSTI2025

Field Testing of PID-p Susceptible Bifacial PERC Modules: Impact of Light, Voltage and Module History ​

This work investigates the potential induced degradation-polarization (PID-p) of bifacial passivated emitter and rear contact (PERC) modules installed in the field at the Florida Solar Energy Center. 22 modules were stressed over 1 year under various voltage (-1500V, -3500, +1500V) and mounting configurations (close to ground, 2 meters from ground, close to roof). The positively stressed modules were anticipated to have experiences PID-p on their front side. However, no degradation was observed, as the light-induced recovery effect effectively counteracted the degradation. The negatively stressed modules experienced Pmax drops during 2 weeks before stabilizing at 5-6% loss. I-V and EL characteristics suggest a PID-p degradation on the rear side. Lower degradation rates are observed with lower voltage and when the mounting configuration allows more albedo light on the rear side to compensate for the degradation. PID-p is observed to stabilize at similar level for the voltage and mounting configuration tested with slightly lower Pmax in winter. EL imaging reveals that cells are not degrading at the same rate across a module. Some cells get darker and then brighter which corresponds to the silicon/passivation interface going through depletion and then inversion when enough positive charges are accumulated. After full light-recovery, the modules were tested again along with 22 brand-new ones to assess the impact of the module history. Results confirmed the trends observed in the first year with PID-p occurring at voltage as low as -600V and recovered modules degrading faster than brand-new ones.

14 SOLAR ENERGY↗
DOE OSTI2026

Evidence of Polarization‐Type Potential‐Induced Degradation (PID‐p) in the Field and Investigation of the Recovery Mechanism on Bifacial p ‐PERC Modules

This study investigates the polarization-type potential-induced degradation (PID-p) of bifacial glass/glass p-type passivated emitter rear contact (p-PERC) modules in the field and their recovery behavior. Modules were installed with three mounting configurations providing different albedo conditions. System voltage (–600, –1500, and +1500 V) was applied to the cell circuits, with respect to the grounded module frames. No degradation was observed for positively biased modules, but PID-p was identified on the rear side when cells are negatively biased, with maximum power dropping during the first days and stabilizing at values up to 8% loss. Electroluminescence images revealed a variation of the cells' PID-p susceptibility within a module. Three parameters were shown to impact the degradation rate: rear albedo light, voltage, and wetness conditions. Degraded modules were recovered either by (1) a positive bias (+1500 V), (2) outdoor illumination with the front side facing sun, (3) outdoor illumination with the rear side facing sun, or (4) dark storage. A recovery pattern was identified with I–V parameters decreasing to a local minimum before increasing to full recovery. The proposed mechanism is based on the band bending at the rear p-type Si/AlO x/SiN x interface, going from inversion to depletion and accumulation states. Full recovery was achieved in 2–7 h for the modules recovered with the rear side facing sun, four to eight nights for the modules positively biased at night, and 10–20 days for the modules with the front side facing sun. Dark storage showed slower recovery rates as I–V parameters were not improving even after 1 month. Here, the recovery rates were correlated with the net Coulombs transferred during the preceding PID stress: When more Coulombs are transferred during the degradation, the extent of degradation is greater, leading to slower recovery rates.

14 SOLAR ENERGY↗
DOE OSTI2023

Use of non-contact voltmeter to quantify potential induced degradation in CdTe modules

Potential induced degradation (PID) is a significant reliability issue for photovoltaic modules in the field. Conventionally, to detect the PID-affected modules, all the modules in a string are individually disconnected and measured using I-V (current–voltage) tracers. It is extremely time-consuming, expensive and unsafe (if the module connectors are field aged) approach. In our approach, we aim detecting the PID-affected modules quickly, inexpensively and safely without disconnecting individual modules in the string. In this study, contactless electrostatic voltmeter’s (ESV) strength was explored to detect the PID-affected cadmium telluride (CdTe) modules in a string. These contactless measurements on high-voltage PV strings could make this technique unique and preferable to detect PID-affected modules in a string compared to the I-V curve method. In this work, a CdTe module was stressed for PID using the Aluminum (Al) foil method in a walk-in environmental chamber, which resulted in a reduction of module's peak current (I max ), peak voltage (Vmax), and fill factor (FF), and hence power (Pmax). Outdoor light I-V, EL, and ESV measurements were performed pre- and post-PID to determine the effectiveness of the non-contact ESV technique. Further, the ESV technique successfully detected the change in V max , and hence Pmax, compared to the pre-and post-PID conditions. A difference of less than 2% was observed in the results of the non-contact and non-interruptive method compared to the conventionally used interruptive voltmeter or I-V tracer method. This technique and the test results demonstrate a significant promise to identify poor-performing modules in PV string without disconnection of individual modules in the string.

14 SOLAR ENERGY↗
DOE OSTI2026

Field-Coupled Water Splitting with Metal-Free Donor–Acceptor Covalent Organic-Framework Junctions

Advancing metal-free electrocatalysts for hydrogen and oxygen evolution reactions (HER/OER) across acidic and alkaline media requires coordinated control of intermediate binding thermodynamics, interfacial charge delivery, and near-electrode transport dynamics. Here, we design amide-linked benzene–triazine covalent organic frameworks (BTA/TzTA-Hz COFs) and integrate them with carbon nanotubes (CNTs) to form COF–CNT junctions that establish a built-in interfacial electric field. Density functional theory (DFT) and electrostatic potential maps indicate complementary active motifs, with benzene-proximal fragments associated with HER and triazine-proximal motifs associated with OER. CNT integration shifts the contact-potential difference by ≈0.20 V, while operando electrochemical impedance spectroscopy suggests partially separable high-frequency junction-charging and lower-frequency Faradaic/transport responses. A 300 mT static magnetic field lowers the HER and OER overpotentials by tens of millivolts. Under anodic bias, the effective interfacial charging capacitance increases, and Mott–Schottky analysis shows an apparent ∼0.15 V flat-band shift with an essentially unchanged slope. Together, these observations are consistent with field-perturbed interfacial charging and altered bias partitioning. Field-dependent impedance and bubble imaging are consistent with magnetohydrodynamic convection that promotes bubble detachment and near-electrode mass transport for both half-reactions, and they reveal an OER-specific high-frequency perturbation under anodic bias. Under field, the heterostructure reaches an OER onset overpotential of ∼261 mV and requires an overpotential of 366 mV at 10 mA cm –2 in alkaline electrolyte. These results illustrate how reticular-framework chemistry, junction engineering, and both built-in and applied fields can program reactivity through interfacial electrostatics and near-electrode transport in organic-framework electrocatalysts.

Garcia-Enriquez, Lissette [Univ. of Texas at El Pa↗
DOE OSTI2025

Contact with Electrically Conductive Inert Solids Alters Intrinsic Heterogeneous Brønsted Acid Catalysis

Interfacial electric fields at heterogeneous catalyst surfaces have been demonstrated to alter kinetics of liquid-phase reactions. In these systems, electric fields are generated from applying a potential to the catalyst through connection to a potentiostat or through electron transfer from redox-active species in solution. Here, we demonstrate that catalyst polarization can also occur by simply contacting electrically conductive inert solids, leading to the counterintuitive conclusion that a catalyst particle touching an inert solid can alter intrinsic reaction rates. Using dehydration of 1-methylcyclopentanol to 1-methylcyclopentene catalyzed by Brønsted-acidic carboxylic acid groups on carbon nanotubes as a proof-of-concept probe reaction, we show that catalyst contact with inert, thermally reduced carbon nanotubes leads to order-of-magnitude changes in reaction rate. Furthermore, we demonstrate that these contact-induced effects can also be observed under standard laboratory reaction conditions, where particle-to-particle contact in stirred catalyst powder suspensions is sufficient to demote rates by ∼8-fold. This work provides the foundation for a new method of reaction rate control, which could have implications whenever heterogeneous catalyst particles are in contact with inert materials for liquid-phase reactions in the presence of electrolyte.

Alcohols↗
DOE OSTI2022

Record >10 MV/cm mesa breakdown fields in Al 0.85 Ga 0.15 N/Al 0.6 Ga 0.4 N high electron mobility transistors on native AlN substrates

The ultra-wide bandgap of Al-rich AlGaN is expected to support a significantly larger breakdown field compared to GaN, but the reported performance thus far has been limited by the use of foreign substrates. In this Letter, the material and electrical properties of Al 0.85 Ga 0.15 N/Al 0.6 Ga 0.4 N high electron mobility transistors (HEMT) grown on a 2-in. single crystal AlN substrate are investigated, and it is demonstrated that native AlN substrates unlock the potential for Al-rich AlGaN to sustain large fields in such devices. We further study how Ohmic contacts made directly to a Si-doped channel layer reduce the knee voltage and increase the output current density. High-quality AlGaN growth is confirmed via scanning transmission electron microscopy, which also reveals the absence of metal penetration at the Ohmic contact interface and is in contrast to established GaN HEMT technology. Two-terminal mesa breakdown characteristics with 1.3 μm separation possess a record-high breakdown field strength of ~11.5 MV/cm for an undoped Al 0.6 Ga 0.4 N-channel layer. The breakdown voltages for three-terminal devices measured with gate-drain distances of 4 and 9 μm are 850 and 1500 V, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Localized interlayer excitons in MoSe 2 –WSe 2 heterostructures without a moiré potential

Interlayer excitons (IXs) in MoSe 2 –WSe 2 heterobilayers have generated interest as highly tunable light emitters in transition metal dichalcogenide (TMD) heterostructures. Previous reports of spectrally narrow (<1 meV) photoluminescence (PL) emission lines at low temperature have been attributed to IXs localized by the moiré potential between the TMD layers. We show that spectrally narrow IX PL lines are present even when the moiré potential is suppressed by inserting a bilayer hexagonal boron nitride (hBN) spacer between the TMD layers. We compare the doping, electric field, magnetic field, and temperature dependence of IXs in a directly contacted MoSe 2 –WSe 2 region to those in a region separated by bilayer hBN. The doping, electric field, and temperature dependence of the narrow IX lines are similar for both regions, but their excitonic g-factors have opposite signs, indicating that the origin of narrow IX PL is not the moiré potential.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Role of three-body dynamics in nucleon-deuteron correlation functions

Correlation functions of hadrons can be accessed in high-energy collisions of atomic nuclei, revealing information about the underlying interaction. This work complements experimental efforts to study nucleon-deuteron Nd—with N=p (proton) or N=n (neutron)—correlations with theory evaluations using different techniques. The correlation functions C nd and C pd are calculated based on a scattering wave function, extending previous benchmarks for the Nd scattering matrix to this new observable. We use hyperspherical harmonics and Faddeev techniques with one of the widely used nucleon-nucleon (NN) interactions, the Argonne v18 potential. Moreover, in the low-energy region we perform additional calculations in the framework of pionless effective field theory. The pd correlation function is computed in the large-energy region to make contact with a recent measurement by the ALICE Collaboration. We show that the scattering wave function has the proper dynamical input to describe an initial rise and subsequent oscillations of C pd as a function of the energy. Effects on the observables using different NN and three-nucleon potentials are evaluated with the conclusion that variations of around 2% are observed. Although these effects are small, future measurements can go beyond this accuracy, allowing for new detailed studies of strong interaction in light nuclear systems. Furthermore, the present study supports the current efforts devoted to the measurement of correlation functions in systems dominated by the strong interactions, such as pd, ppp, Λd, and ppΛ.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Many-body factorization and position–momentum equivalence of nuclear short-range correlations

While mean-field approximations, such as the nuclear shell model, provide a good description of many bulk nuclear properties, they fail to capture the important effects of nucleon–nucleon correlations such as the short-distance and high-momentum components of the nuclear many-body wave function1. Here, we study these components using the effective pair-based generalized contact formalism and ab initio quantum Monte Carlo calculations of nuclei from deuteron to 40 Ca. We observe a universal factorization of the many-body nuclear wave function at short distance into a strongly interacting pair and a weakly interacting residual system. The residual system distribution is consistent with that of an uncorrelated system, showing that short-distance correlation effects are predominantly embedded in two-body correlations. Spin- and isospin-dependent ‘nuclear contact terms’ are extracted in both coordinate and momentum space for different realistic nuclear potentials. The contact coefficient ratio between two different nuclei shows very little dependence on the nuclear interaction model. These findings thus allow extending the application of mean-field approximations to short-range correlated pair formation by showing that the relative abundance of short-range pairs in the nucleus is a long-range (that is, mean field) quantity that is insensitive to the short-distance nature of the nuclear force.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Long-lived photoinduced polar states in metal halide perovskites

Ferroic polarization in hybrid perovskites is crucial for enhancing photovoltaic performance and developing potential electronic applications. Controlling ferroic polarization with an optical field enables probing of ferroic polarization without the unwanted interface ionic effects caused by electronic contacts. This study employs ultrafast near-infrared photoexcitation to control dynamic structural transitions in soft single crystalline hybrid Cu (II) halide perovskites, achieving a long-lived polar state (beyond 104 s) at room temperature. We probe reversible long-lived polar domains under near-infrared photoexcitation using in-situ second harmonic generation microscopy. Theoretical calculation informs the polar lattice microstrain likely induced by anisotropic structure deformation in octahedral copper halide under near-infrared photoexcitation. The reversible slow structure deformation is further confirmed by in-situ photo-induced X-ray diffraction measurement. This work provides a material platform for understanding, controlling, and probing polarization under photoexcitation. Our methodology enables the identification of previously undiscovered polar phases in ferroelectric halide perovskites.

Dou, Yixuan↗
DOE OSTI2022

Renormalization of one-pion exchange in chiral effective field theory for antinucleon-nucleon scattering

The renormalization of iterated one-pion exchange (OPE) is studied in Chiral Effective Field Theory ($\chi$EFT) for the antinucleon-nucleon ($\overline{N}N$) system. The OPE potential is cut off at a certain distance and contact interactions are represented by a complex spherical well with the same radius. We investigate the dependence on the cutoff radius of the phase shifts, inelasticities, and mixing angles for the low partial waves in $\overline{N}N$ scattering. We show that renormalization requires additional contact interactions compared to the expectation based on naive dimensional analysis. Results after renormalization are compared with the state-of-the-art energy-dependent partial-wave analysis of $\overline{N}N$ data. We compare our conclusions with applications of $\chi$EFT to the nucleon-nucleon system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Ambipolar Transport in Polycrystalline GeSn Transistors for Complementary Metal-Oxide-Semiconductor Applications

Group-IV alloy GeSn is a promising material for electronic and optoelectronic applications due to its compatibility with both Si substrates and established Si fabrication processes. This study focuses on polycrystalline GeSn (10% Sn), which offers a cost-effective, large-area, and versatile alternative to epitaxial GeSn. We demonstrate ambipolar transport behavior in polycrystalline GeSn thin film transistors, achieving electron and hole field-effect mobilities reaching up to 0.05 cm 2 /Vs and 2.05 cm 2 /Vs, respectively. Through temperature-dependent analysis, we elucidate the underlying mechanism of this phenomenon, which we attribute to quantum tunneling between the Schottky barrier contact and the channel, as well as potential barriers between the grain boundaries of this polycrystalline film, thereby advancing the understanding of polycrystalline GeSn's electrical properties. Furthermore, this work highlights the potential of ambipolar transport as a technique to employ towards the development of GeSn complementary metal-oxide-semiconductor field-effect transistors, promising to simplify and reduce the cost of GeSn manufacturing processes for edge computing and sensing applications.

42 ENGINEERING↗