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DOE OSTI2024

Basic Energy Sciences Roundtable: Foundational Science to Accelerate Nuclear Energy Innovation

Energy security, availability, and reliability are among the greatest challenges facing the nation and the planet. An abundant potential source of energy resides in the fundamental atomic building blocks of the universe in the form of nuclear fission and fusion reactions. In fact, energy from nuclear fission currently provides the majority of the world’s zero-carbon electricity, and future fusion energy systems offer great promise; carbon-free nuclear energy technologies can be key to the world’s decarbonized energy future. Although contemporary fission systems use well-established technologies to supply safe and efficient baseload power, they could be more fuel efficient and less costly. Moving beyond massive light-water fission reactors to a variety of advanced nuclear systems—which will vary in size and operate in extremes of temperature, corrosivity, and other parameters—will place stringent conditions on materials and chemical systems. New demands will be placed on the coolants and solvents, the materials, and the monitoring tools used in these reactors. Fusion-based nuclear energy will require superior materials to withstand extremely high temperatures, plasma exposure, radiation damage, and implanted gases. The advantages associated with these new fission and fusion technologies will be realized only through continued advancements in the fundamental science underpinning our knowledge of the physics and chemistry of nuclear systems gained via improved experimental and computational methods. In July 2022, the U.S. Department of Energy’s Office of Basic Energy Sciences—in coordination with the Offices of Nuclear Energy, Fusion Energy Sciences, and Advanced Scientific Computing Research—held a virtual roundtable titled “Foundational Science to Accelerate Nuclear Energy Innovation” to discuss the scientific and technical barriers for advanced nuclear energy systems. Five priority research opportunities were identified to address these scientific and technical challenges and to accelerate progress toward the realization of next-generation fusion and fission energy systems. The foundational science gaps inhibiting the advancement of nuclear energy technologies are identified and tackled in five priority research opportunities. These opportunities pave the way to accelerate the development and ultimately the adoption of new nuclear energy systems. They include the fundamental aspects of ion-electron interactions; novel properties of next-generation coolants and solvents; interfacial dynamics, not only in solids, but in other aspects of nuclear reactors; novel operando and in situ monitoring and sensing; and artificial intelligence to accelerate condensed phases discovery. Building on the foundation established by previous Basic Energy Sciences workshops, these opportunities encompass recent advances in fundamental knowledge and focus on the experimental and computational methods needed to resolve major technical challenges for nuclear energy technologies. Through developing fundamental scientific insight as well as pushing the frontiers of modeling complex systems and probing the operation of materials and chemical systems in extreme environments, research motivated by the priorities identified here will further develop the promise, potential, and utilization of nuclear energy for a clean energy future.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1982

Diamond /111/ studied by electron energy loss spectroscopy in the characteristic loss region

Unoccupied surface states on diamond (111) annealed at greater than 900 C are studied by electron energy loss spectroscopy with valence band excitation. A feature found at 2.1 eV loss energy is attributed to an excitation from occupied surface states into unoccupied surface states of energy within the bulk band gap. A surface band gap of approximately 1 eV is estimated. This result supports a previous suggestion for unoccupied band gap states based on core level energy loss spectroscopy. Using the valence band excitation energy loss spectrosocpy, it is also suggested that hydrogen is removed from the as-polished diamond surface by a Menzel-Gomer-Redhead mechanism.

Pepper, S. V.↗

DOE OSTI2021

Experimental study of atmospheric pressure single-pulse nanosecond discharge in pin-to-pin configuration

We present an experimental study of nanosecond high-voltage discharges in a pin-to-pin electrode configuration at atmospheric conditions operating in single-pulse mode (no memory effects). Discharge parameters were measured using microwave Rayleigh scattering, laser Rayleigh scattering, optical emission spectroscopy enhanced with a nanosecond probing pulse, and fast photography. Spark and corona discharge regimes were studied for electrode gap sizes 2-10 mm and discharge pulse duration of 90 ns. The spark regime was observed for gaps < 6 mm using discharge pulse energies of 0.6-1 mJ per mm of the gap length. Higher electron number densities, total electron number per gap length, discharge currents, and gas temperatures were observed for smaller electrode gaps and larger pulse energies, reaching maximal values of about 7.5 x 10 15 cm -3 , 3.5 x 10 11 electrons per mm, 22 A, and 4,000 K (at 10 microseconds after the discharge), respectively, for a 2 mm gap and 1 mJ/mm discharge pulse energy. Initial breakdown was followed by a secondary breakdown occurring about 30-70 ns later and was associated with ignition of a cathode spot and transition to cathodic arc. Here, a majority of the discharge pulse energy was deposited into the gas before the secondary breakdown (85-89%). The electron number density after the ns-discharge pulse decayed with a characteristic time scale of 150 ns governed by dissociative recombination and electron attachment to oxygen mechanisms. For the corona regime, substantially lower pulse energies (~0.1 mJ/mm), peak conduction current (1-2 A), and electron numbers (3-5 x 10 10 electrons per mm), and gas temperatures (360 K) were observed.

42 ENGINEERING↗

NASA NTRS2006

High-Energy Emission From the Polar Cap and Slot Gap

Thirty-five years after the discovery of rotation-powered pulsars, we still do not understand the fundamentals of their pulsed emission at any wavelength. I will review the latest developments in understanding the high-energy emission of rotation-powered pulsars, with particular emphasis on the polar cap and slot gap models. Special and general relativistic effects play important roles in pulsar emission, from inertial frame-dragging near the stellar surface to aberration, time-of-flight and retardation of the magnetic field near the light cylinder. Understanding how these effects determine what we observe at different wavelengths is critical to unraveling the emission physics. I will discuss how the next generation of gamma-ray detectors, AGILE and GLAST, will test prediction of these models.

Harding, Alice K.↗

DOE OSTI2022

Ultrafast electron dynamics of graphene quantum dots: High harmonic generation

We study theoretically nonlinear optical properties of graphene quantum dots placed in a field of a short and strong linearly polarized optical pulse. We address the problem of high harmonic generation in quantum dots and how such nonlinear effect is affected by dephasing processes in a quantum dot. The dephasing makes the ultrafast electron dynamics more irreversible with a large residual population of the excited quantum dot levels. In relation to the high-harmonic spectrum, with increasing the dephasing time, the intensities of the low-frequency harmonics increase while the cutoff energy decreases. The dependence of the cutoff energy on the amplitude of the optical pulse is also sensitive to the frequency of the pulse. When the frequency of the optical pulse is much less than the quantum dot band gap, this dependence is almost linear, but when the frequency of the pulse is comparable to the band gap, the cutoff energy shows saturation behavior at large field amplitude, >0.4 V/Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Polymorphous nature of cubic halide perovskites

Many common crystal structures can be described by a single (or very few) repeated structural motif (“monomorphous structures”) such as octahedron in cubic halide perovskites. Interestingly, recent accumulated evidence suggests that electronic structure calculations based on such macroscopically averaged monomorphous cubic ($\textit{Pm} – 3m$) halide perovskites obtained from x-ray diffraction, show intriguing deviations from experiment. These include systematically too small band gaps, dielectric constants dominated by the electronic, negative mixing enthalpy of alloys, and significant deviations from the measured pair distribution function. We show here that a minimization of the systems $\textit{T}$ = 0 internal energy via density functional theory reveals a distribution of different low-symmetry local motifs, including tilting, rotations, and B-atom displacements (“polymorphous networks”). This is found only if one allows for larger-than-minimal cell size that does not geometrically exclude low symmetry motifs. As the (super) cell size increases, the energy is lowered relative to the monomorphous cell, and stabilizes after ~32 formula units (≥160 atoms) are included. Being a result of nonthermal energy minimization in the internal energy without entropy, this correlated set of displacements must represent the intrinsic geometry preferred by the underlying chemical bonding (lone pair bonding), and as such has a different origin than the normal, dynamic thermal disorder modeled by molecular dynamics. Indeed, the polymorphous network, not the monomorphous ansatz, is the kernel structure from which high temperature thermal agitation develops. The emerging physical picture is that the polymorphous network has an average structure with high symmetry, yet the local structural motifs have low symmetries. In this work we find that, compared with monomorphous counterparts, the polymorphous networks have significantly lower predicted total energies, larger band gaps, and ionic dominated dielectric constants, and agree much more closely with the observed pair distribution functions. An analogous polymorphous situation is found in the paraelectric phase of a few cubic oxide perovskites where local polarization takes the role of local displacements in halide perovskites, and in the paramagnetic phases of a few 3 d oxides where the local spin configuration takes that role.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Developing a Database of Bio-based Materials for Building Envelope Applications

Oak Ridge National Laboratory (ORNL) has been funded by the Department of Energy (DOE) to help accelerate the introduction of building envelope materials that would reduce the carbon footprint of the buildings sector. The DOE’s Building Technologies Office has historically sought to resolve the knowledge gaps regarding the energy efficiency and moisture durability of building envelope systems and to develop the data, guidance, and tools needed to facilitate rapid industry adoption of high-performance, moisture-managed envelope systems. This project will help accelerate the widespread acceptance of a new generation of building materials developed specifically with the intent of reducing the carbon footprint of buildings. We have produced a database of hygrothermal transport properties on low embodied carbon building materials that can be added to energy and durability simulation tools. Properties that were measured include density, heat capacity, thermal conductivity as a function of temperature and relative humidity, moisture dependent permeance, and sorption isotherms as a function of relative humidity. These data sets were measured following consensus national standards using state-of-the-art facilities. The data has been compiled and is being made available to building designers who require these data to assess these new materials in their designs. We will publish the data and seek its addition to reference databases such as the ASHRAE Handbook of Fundamentals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1985

The determination of minority carrier lifetimes in direct band-gap semiconductors by monitoring intensity-modulated luminescence radiation

When an extrinsic, direct band-gap semiconductor sample is irradiated by photons of an energy higher than the energy of the band gap between valence and conduction bands, excess electron-hole pairs are generated which, while diffusing through the sample, produce luminescence via radiative recombination. If, furthermore, the intensity of the impinging beam of photons is modulated sinusoidally, the luminescence radiation escaping from the sample will be phase shifted with respect to the original photon beam in a characteristic way. It will be shown that by measuring the phase shift at different modulation frequencies, the Shockley-Read-Hall lifetime of minority carriers may be ascertained. The method is nondestructive inasmuch as there is no need to fabricate p-n junctions or Ohmic contacts, nor is it necessary to remove already existing Ohmic contacts of angle lap the surface, etc., procedures often needed when determining lifetimes with the scanning electron microscope (in which case a p-n junction must be present).

Von Roos, O.↗

DOE OSTI2026

Impact of atmospheric turbulence on performance and loads of wind turbines: knowledge gaps and research challenges

Wind energy harvesting from the atmosphere takes place in the atmospheric boundary layer. The boundary layer shear and buoyancy create three-dimensional turbulent eddies spanning a range of scales that form a continuous forward cascade of kinetic energy to the smallest scales of motion where energy is dissipated. Large-scale atmospheric circulations modulate the boundary layer turbulence, characterized by coherence and intermittency. As wind turbines grow in size and the integrated control of both turbines and wind farms spans greater distances, the relationship between the scales of atmospheric turbulence and the design and operation of wind energy facilities has entered new territory. The boundary layer turbulence impacts both wind turbine power production and turbine loads. Optimizing wind turbine and wind farm performance requires an understanding of how turbulence affects both wind turbine efficiency and reliability. While the characteristics of atmospheric boundary layer turbulence have been observed and studied in detail over the last few decades, there are still significant gaps in our understanding of the impact of turbulence on wind power resources and wind farm operations. This paper outlines the current state of turbulence research relevant to wind energy applications and points to gaps in our knowledge that need to be addressed to effectively utilize wind resources.

Kosović, Branko [Johns Hopkins Univ., Baltimore, M↗

NASA NTRS2004

Single-element Electron-transfer Optical Detector System

An optical detector system includes an electrically resistive screen that is substantially transparent to radiation energy having a wavelength of interest. An electron transfer element (e.g., a low work function photoactive material or a carbon nanotube (CNT)-based element) has a first end and a second end with its first end spaced apart from the screen by an evacuated gap. When radiation energy passes through the screen with a bias voltage being applied thereto, transfer of electrons through the electron transfer element is induced from its first to its second end such that a quantity indicative of the electrons transferred can be detected.

Jeffrey D Jordan↗

DOE OSTI2026

Excited-state uncertainties in lattice-QCD calculations of multi-hadron systems

Excited-state effects lead to hard-to-quantify systematic uncertainties in lattice quantum chromodynamics (LQCD) spectroscopy calculations when computationally accessible imaginary times are smaller than inverse excitation gaps, as often arises for multi-hadron systems with signal-to-noise problems. Lanczos residual bounds address this by providing two-sided constraints on energies that do not require assumptions beyond Hermiticity, but often give very conservative systematic uncertainty estimates. Here, a more-constraining set of gap bounds is introduced for hadron spectroscopy. These bounds provide tighter constraints whose validity requires an explicit assumption about an energy gap. Exactly solvable lattice field theory correlators are used to test the utility of residual and gap bounds at finite and infinite statistics. Two-sided bounds and other analysis methods are then applied to a high-statistics LQCD calculation of nucleon-nucleon scattering at $m_π\sim 800$ MeV. Generalized eigenvalue problem (GEVP) and Lanczos energy estimators are compatible when applied to the same correlator data, but analyses including different interpolating operators show statistically significant inconsistencies. However, two-sided bounds from all operators are consistent. Under the assumption that the number of energy levels below $NΔ$ and $ΔΔ$ thresholds is the same as for non-interacting nucleons, gap bounds are sufficient to constrain nucleon-nucleon scattering amplitudes at phenomenologically relevant precision. Lanczos methods further reveal that energy-eigenstate estimates from previously studied asymmetric correlators have not converged over accessible imaginary times. Nevertheless, data-driven examples demonstrate why assumptions are required to draw conclusions about the natures of two-nucleon ground states at these masses.

Detmold, William [MIT, Cambridge, CTP]↗

DOE OSTI2022

Quasiparticle Scattering in a Superconductor near a Nematic Critical Point: Resonance Mode and Multiple Attractive Channels

We analyze the scattering rate for 2D fermions interacting via soft nematic fluctuations. The ground state is an s-wave superconductor, but other pairing channels are almost equally attractive. This strongly alters the scattering rate: At energies beyond the pairing gap Δ, it is renormalized by contributions from all pairing channels. At energies of order Δ, it is determined by the competition between scattering into a gapped continuum and dispersing nematic resonance. The outcome is a “peak-peak-dip-hump” spectrum, similar, but not identical, to the “peak-dip-hump” structure in the cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

An Educational Program on Concentrated Solar Power and Heliostats for Power Generation and Industrial Processes

The objective of this project was to design and implement a comprehensive educational and applied research program in Concentrated Solar Thermal Power (CSTP) and heliostat technologies at Northeastern University. In alignment with the U.S. Department of Energy's Heliostat Consortium (HelioCon) goals, the project aimed to expand student and public understanding of CSTP systems while simultaneously contributing to workforce development and the broader decarbonization strategy. A particular emphasis was placed on integrating hands-on student design projects and publicly disseminating educational content relevant to CSTP systems. The project addressed a critical gap in renewable energy education: CSTP and heliostats, despite their importance in utility-scale solar energy, are rarely included in standard mechanical engineering programs. This project established new pathways for students to engage with the topic through the creation of a 4-credit graduate/senior elective course, development of five industry-facing short courses, and the inclusion of CSTP-based capstone design projects. Over two academic years, 36 students across six senior design teams developed and tested technologies such as deformable heliostats, beacon-based tracking systems, and solar-powered pyrolizers for biomass-to-biochar conversion. Concurrently, 30 undergraduate and graduate students were enrolled in the new academic course centered around CSTP principles. To ensure the relevance and accessibility of the short course content, the project team engaged with industry professionals, technical policy stakeholders, and potential course participants through structured surveys and informal consultations. Feedback from 28 respondents guided the structure, length, and delivery format of the courses - resulting in a modular design broken into five workshops. The feedback emphasized the need for flexible, asynchronous delivery and practical case studies, particularly in areas such as heliostat control, thermal storage, and solar fuel production. This engagement helped align the courses with the evolving knowledge demands of the renewable energy workforce and ensured that participants from both technical and policy backgrounds could meaningfully benefit from the material. The research and educational activities advanced the understanding of heliostat control systems, optical performance under misalignment, and thermal system integration in solar-driven pyrolysis applications. Methods and designs explored in this project proved to be both technically effective and economically feasible at the lab scale. Prototypes were constructed using commercially available components and custom-fabricated elements, demonstrating that meaningful performance improvements can be achieved with modest material and fabrication costs, supporting the feasibility of student-led research in this field. The public benefit of this project is twofold. First, it cultivates a pipeline of engineers trained to be familiar with CSTP principles, an essential workforce need identified by the Department of Energy for achieving its 2030 cost and deployment targets. Second, it contributes openly accessible educational materials, course content, and experimental frameworks to the broader community, enabling other institutions to adopt or adapt similar programming. Through outreach activities, curriculum integration, and technical exposure, this project contributes to a more informed and capable renewable energy workforce while supporting innovation in heliostat and CSTP system design. A new technical report is being prepared to document the development of the course and its outcomes, with plans to publish it in the ASME Open Access Journal of Engineering to ensure global accessibility, free of cost.

14 SOLAR ENERGY↗

DOE OSTI2021

Distinguishing Models for Mixed Halide Lead Perovskite Photosegregation via Terminal Halide Stoichiometry

Photoinduced halide segregation in mixed halide hybrid perovskites [i.e., APb(I 1–x Br x ) 3 ] represents an intrinsic instability that impedes their commercialization. Resolving this issue requires developing a microscopic understanding of the phenomenon. Key to this is distinguishing existing models of halide photosegregation by comparing their corresponding predictions to experiment. In this work, we test the temperature dependency of predicted perovskite terminal stoichiometries (x terminal ), following photosegregation, in single and double cation mixed halide perovskites. Our results show a general temperature invariance of x terminal . This largely supports the idea that band gap difference between parent and halide-segregated perovskite phases drives photosegregation. Beyond this, careful examination of temperature- and halide composition-dependent emission energies suggests an alternative explanation for the enhanced photostability of mixed cation/mixed halide perovskites, linked to band gap energy differences between parent and phase-segregated perovskite phases. Together, our results make inroads in clarifying the microscopic origin of mixed halide perovskite photosegregation and pave the way toward approaches that stabilize their use in applications.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Filling the black hole mass gap: Avoiding pair instability in massive stars through addition of nonnuclear energy

In standard stellar evolution, stars with masses ranging from approximately 150 to 240M ⊙ are expected to evolve to a pair instability supernova with no black hole (BH) remnant. This evolutionary behavior leads to a predicted gap in the black hole mass function from approximately 50 to 140M ⊙ . Yet the LIGO and Virgo Collaborations recently discovered black holes of masses 66M ⊙ and 85M ⊙ in the gravitational wave event GW190521. Here, we propose a new method to populate the BH mass gap. If an energy source is added throughout the star in addition to nuclear fusion, it is possible for the altered evolution to avoid the complete destruction of a pair instability supernova, and instead a BH remnant is left behind. An example of an extra energy source is dark matter annihilation within the star, but our results hold more generally. We show this phenomenon by exploring the effect of adding an energy source independent of temperature and density to a 180M ⊙ star, using the MESA one-dimensional stellar evolution software. If ~50% of the star’s energy is due to this new source, the star is capable of avoiding the pair instability entirely and evolving towards a core-collapse supernova and ultimately a BH remnant with mass ~ 120M ⊙ .

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

First measurement of the forward rapidity gap distribution in pPb collisions at $\sqrt{s_{NN}}$ = 8.16 TeV

For the first time at LHC energies, the forward rapidity gap spectra from proton-lead collisions for both proton and lead dissociation processes are presented. The analysis is performed over 10.4 units of pseudorapidity at a center-of-mass energy per nucleon pair of $\sqrt{s_{NN}}$ = 8.16 TeV , almost 300 times higher than in previous measurements of diffractive production in proton-nucleus collisions. For lead dissociation processes, which correspond to the pomeron-lead event topology, the EPOS-LHC generator predictions are a factor of 2 below the data, but the model gives a reasonable description of the rapidity gap spectrum shape. For the pomeron-proton topology, the EPOS-LHC , QGSJET II , and HIJING predictions are all at least a factor of 5 lower than the data. The latter effect might be explained by a significant contribution of ultraperipheral photoproduction events mimicking the signature of diffractive processes. These data may be of significant help in understanding the high energy limit of quantum chromodynamics and for modeling cosmic ray air showers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Georectified polygon database of ground-mounted large-scale solar photovoltaic sites in the United States.

Over 4,400 large-scale solar photovoltaic (LSPV) facilities operate in the United States as of December 2021, representing more than 60 gigawatts of electric energy capacity. Of these, over 3,900 are ground-mounted LSPV facilities with capacities of 1 megawatt direct current (MW dc ) or more. Ground-mounted LSPV installations continue increasing, with more than 400 projects appearing online in 2021 alone; however, a comprehensive, publicly available georectified dataset including spatial footprints of these facilities is lacking. The United States Large-Scale Solar Photovoltaic Database (USPVDB) was developed to fill this gap. Using US Energy Information Administration (EIA) data, locations of 3,699 LSPV facilities were verified using high-resolution aerial imagery, polygons were digitized around panel arrays, and attributes were appended. Quality assurance and control were achieved via team peer review and comparison to other US PV datasets. Data are publicly available via an interactive web application and multiple downloadable formats, including: comma-separated value (CSV), application programming interface (API), and GIS shapefile and GeoJSON.

14 SOLAR ENERGY↗

DOE OSTI2024

Superconducting and spin-wave orders in Ba 0.6 ⁢K 0.4⁢ Fe 2⁢ As 2 probed by point contact spectroscopy

The doping dependent phase diagram of the iron pnictide systems displays diverse electronic ground states including unconventional superconductivity and magnetic ordering. From previous bulk measurements, it was argued that the superconducting phase of Ba 1-x K x Fe 2 As 2 might be described within a two band formalism where superconductivity emerges with significantly different magnitudes of the pairing amplitude in the different bands. Here, we have performed point contact Andreev reflection spectroscopy on the optimally doped system (x = 0.4) where we found features that misleadingly mimic the signature of multiple gap amplitudes with large energy difference, when the point contacts are away from the ballistic regime. Closer to the ballistic regime, we found two types of spectra. In one type, a single superconducting gap with unusual broadening was found. The broadening might be due to the presence of multiple gap amplitudes with small energy spacing. The other kind of spectra displayed spectral features at ~ 30 meV in the normal state that gradually diminished with increasing temperature and eventually disappeared at 140 K, the spin density wave transition temperature of parent BaFe 2 As 2 . We attribute the 30 meV spectral feature to a characteristic electron-magnon interaction energy scale in the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗