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DOE OSTI2025

(U) STATEMENT OF WORK, UCD RadHard Collaboration

The following subcontract engages UC Davis (UCD) to collaborate with Lawrence Livermore National Laboratory (LLNL) on the design and analysis of microelectronic circuits (macrocells). As part of the proposed statement of work UCD will be given access to information that is export controlled. Within this statement of work UCD is to acquire and install any applicable foundry PDK(s) and collaborate with LLNL on the design of new macrocells and assist in making improvements to existing macrocells as well as the design of ASICs using collections of macrocells. The intent is to increase the application space of the existing LLNL macrocell library and demonstrate the use of the macrocell library, including new designs, by making reference design ASICs.

42 ENGINEERING↗

DOE OSTI2020

Materials Data on UCd by Materials Project

UCd crystallizes in the trigonal R3m space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Cd atoms. All U–U bond lengths are 2.93 Å. All U–Cd bond lengths are 3.39 Å. Cd is bonded in a 10-coordinate geometry to four equivalent U and six equivalent Cd atoms. All Cd–Cd bond lengths are 2.93 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on UCd(MoO4)4 by Materials Project

UCd(MoO4)4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent CdO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.84–2.41 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.41 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.41 Å. Cd2+ is bonded to seven O2- atoms to form CdO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Cd–O bond distances ranging from 2.31–2.46 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a linear geometry to one U6+ and one Cd2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Mo6+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one U6+ and two equivalent Mo6+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Cd2+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Mo6+ and one Cd2+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one Mo6+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Type 2 diabetes impairs annulus fibrosus fiber deformation and rotation under disc compression in the University of California Davis type 2 diabetes mellitus (UCD-T2DM) rat model

Abstract Understanding the biomechanical behavior of the intervertebral disc is crucial for studying disease mechanisms and developing tissue engineering strategies for managing disc degeneration. We used synchrotron small-angle X-ray scattering to investigate how changes to collagen behavior contribute to alterations in the disc’s ability to resist compression. Coccygeal motion segments from 6-month-old lean Sprague-Dawley rats ( n=7) and diabetic obese University of California Davis type 2 diabetes mellitus (UCD-T2DM) rats ( n=6, diabetic for 68±7 days) were compressed during simultaneous synchrotron scanning to measure collagen strain at the nanoscale (beamline 7.3.3 of the Advanced Light Source). After compression, the annulus fibrosus was assayed for nonenzymatic cross-links. In discs from lean rats, resistance to compression involved two main energy-dissipation mechanisms at the nanoscale: (1) rotation of the two groups of collagen fibrils forming the annulus fibrosus and (2) straightening (uncrimping) and stretching of the collagen fibrils. In discs from diabetic rats, both mechanisms were significantly impaired. Specifically, diabetes reduced fibril rotation by 31% and reduced collagen fibril strain by 30% (compared to lean discs). The stiffening of collagen fibrils in the discs from diabetic rats was consistent with a 31% higher concentration of nonenzymatic cross-links and with evidence of earlier onset plastic deformations such as fibril sliding and fibril–matrix delamination. These findings suggest that fibril reorientation, stretching, and straightening are key deformation mechanisms that facilitate whole-disc compression, and that type 2 diabetes impairs these efficient and low-energy elastic deformation mechanisms, thereby altering whole-disc behavior and inducing the earlier onset of plastic deformation.

Rosenberg, James L.↗

DOE OSTI2020

Materials Data on UCd(PbO3)2 by Materials Project

Pb2CdUO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of U–O bond distances ranging from 2.08–2.13 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of Cd–O bond distances ranging from 2.35–2.39 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.44–3.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one U6+, one Cd2+, and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one U6+, one Cd2+, and three equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one U6+, one Cd2+, and two equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Advanced Physics Models for Particle-Particle Interactions (UCD final report)

The LDRD "Advanced Physics Models for Particle-Particle Interactions” collaborative research with Professor Jennifer Sinclair Curtis and PhD student Chanh Nguyen at the University of California, Davis involved meso-scale, discrete element method (DEM) modeling of micron-sized particles impacting a substrate. Using DEM, physical insight into the details of particle response upon impact can be obtained. Such details provide the type of information necessary to enhance existing continuum or macro-scale simulation tools so that modeling for material strength and particle breakage models is based on particle physics versus empirical relationships. While molecular dynamics simulations of atoms can also provide physical insight into the particle response to impact, the scale of particles that are treated is on the order of angstroms, not microns. This study gives evidence to the ability of the DEM simulation technique to provide such fundamental, detailed insight for micron-sized particles as a function of particle properties and impact velocity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Increasing the census of ultracool dwarfs in wide binary and multiple systems using Dark Energy Survey DR1 and Gaia DR2 data

ABSTRACT We present the discovery of 255 binary and 6 multiple system candidates with wide (> 5 arcsec) separation composed by ultracool dwarfs (UCDs) companions to stars, plus nine double ultracool dwarf systems. These systems were selected based on common distance criteria. About 90 per cent of the total sample has proper motions available and 73 per cent of the systems also satisfy a common proper motion criterion. The sample of ultracool candidates was taken from the Dark Energy Survey (DES) and the candidate stellar primaries are from Gaia DR2 and DES data. We compute chance alignment probabilities in order to assess the physical nature of each pair. We find that 174 candidate pairs with Gaia DR2 primaries and 81 pairs with a DES star as a primary have chance alignment probabilities $\lt 5{{\ \rm per\ cent}}$. Only nine candidate systems composed of two UCDs were identified. The sample of candidate multiple systems is made up of five triple systems and one quadruple system. The majority of the UCDs found in binaries and multiples are of early L type and the typical wide binary fraction over the L spectral types is $2\!-\!4{{\ \rm per\ cent}}$. Our sample of candidate wide binaries with UCDs as secondaries constitutes a substantial increase over the known number of such systems, which are very useful to constrain the formation and evolution of UCDs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Unlocking the Origins of Ultracool Dwarf Radio Emission

Empirical trends in stellar X-ray and radio luminosities suggest that low-mass ultracool dwarfs (UCDs) should not produce significant radio emission. Defying these expectations, strong nonthermal emission has been observed in a few UCDs in the 1–10 GHz range, with a variable component often attributed to global aurorae and a steady component attributed to other processes, such as gyrosynchrotron emission. While both auroral and gyrosynchrotron emission peak near the critical frequency, only the latter radiation is expected to extend into millimeter wavelengths. We present Atacama Large Millimetre/Submillimeter Array (ALMA) 97.5 GHz and Very Large Array 33 GHz observations of a small survey of 5 UCDs. LP 349-25, LSR J1835+3259, and NLTT 33370 were detected at 97.5 GHz, while LP 423-31 and LP 415-20 resulted in nondetections at 33 GHz. A significant flare was observed in NLTT 33370, which reached a peak flux of 4880 ± 360 μJy, exceeding the quiescent flux by nearly an order of magnitude and lasting 20 s. These ALMA observations show bright 97.5 GHz emission with spectral indices ranging from α = 0.76 to α = −0.29, suggestive of optically thin gyrosynchrotron emission. If such emission traces magnetic reconnection events, then this could have consequences for both UCD magnetic models and the atmospheric stability of planets in orbit around them. Overall, our results provide confirmation that gyrosynchrotron radiation in radio-loud UCDs can remain detectable into the millimeter regime.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Activation of methane by U + studied by guided ion beam tandem mass spectrometry and quantum chemistry

Reaction pathways of all products formed in the U + + CH 4 (CD 4 ) reaction were explored as a function of kinetic energy using guided ion beam tandem mass spectrometry and quantum chemical calculations. UH + , UC + , UCH + , UCH 2 + , and UCH 3 + (and their perdeuterated analogues) are formed in endothermic reactions. In both systems, the UCH 2 + (UCD 2 + ) dehydrogenated product was the dominant product in the low-energy region, whereas the UH + (UD + ) hydride product became predominant at high energies. The kinetic energy behavior of the various products is consistent with a common intermediate of H–U + –CH 3 (D–U + –CD 3 ). Here, the kinetic energy dependence of all product cross sections was modeled to obtain experimental bond dissociation energies at 0 K (in eV): D 0 (U + –H) = 2.42 ± 0.10, D 0 (U + –C) = 3.95 ± 0.12, D 0 (U + –CH) = 4.91 ± 0.09, D 0 (U + –CH 2 ) = 4.11 ± 0.04, and D 0 (U + –CH 3 ) = 2.41 ± 0.09. Quantum chemical calculations using the UCCSD(T) and UB3LYP approaches with the cc-pwCVXZ-PP basis set with MDF-60 pseudopotential for U + and the aug-cc-pCVXZ and aug-cc-pVXZ (X = T, Q) basis set for carbon and hydrogen, respectively, validate the experimental bond dissociation energies and outline the potential energy surface for all reactions observed. In addition, spin–orbit corrections of the bond energies for all products were calculated at a CASSCF-CASPT2-RASSI level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Evaluating Transfer and Pumping of Slurries from Pulsed Jet Mixed Vessels

Due to gravity, solids in slurries will settle if density differences between the solids and liquid are positive (i.e., particle has a negative buoyant force) unless rheological properties and flow conditions are adequate to overcome the gravitational effects. The rate of settling depends on the force balance of the particle, which includes the surface forces associated with fluid rheology. Given the same fluid and solid properties, particles that are larger and denser tend to settle faster. When pumping slurry into a vessel at concentrations precluding hindered settling with insufficient mixing, particle and density distributions can result in preferential settling, creating stratification in the solids concentration within the vessel. For vessels with transfer line inlets located in the lower portion of the tank, the stratified solids concentration may be detrimental to the transfer system performance. Elevated concentrations of solids in the slurry entrained at the inlet to the transfer line can result in the effective viscosity or slurry bulk density exceeding the design limits of the pump. These conditions could result in plugging of the transfer line or onset of cavitation of the pumps because of excessive pressure drop. These conditions can be exacerbated with periodic inlet conditions existing at the transfer line inlet. Periodic conditions can result when vessel mixing is intermittent such as with pulsed jet mixers (PJM). The transfer line inlet conditions are impacted by the periodic nature of the PJM operations with respect to suspension of solids and their transport to the inlet of the transfer line. A scaling approach is presented, and corresponding test requirements are developed for assessing the prevention of plugging the pipeline. Line plugging mechanisms are addressed that do not include plugging due to steady-state high-density slurry entering the transfer line and reducing the net positive suction head available (NPSHA) at the pump inlet to below that required for pump operation. Items considered include the transition to reduced relative flow velocities, such that the critical pipe velocity for solids deposition, Ucd, is not maintained, and segregation of heavy solids during the transport. The recommended requirements to prevent plugging include: • Limits for viscosity and density for entrained slurry to prevent the pressure drop in the pipeline from exceeding pump capacity. • Limits for viscosity and density for entrained slurry to prevent the net positive suction head available (NPSHA) from falling below the net positive suction head required (NPSHR) for operating the pump. • Transfer line velocity and flow rate requirements to maintain solids in suspension, while avoiding line plugging that results from deposition of solids within the transfer line. This paper describes the development of the scaling and testing requirements to verify that proposed approaches for transfer and pump out are appropriately developed

periodic flow, mixing, pipeline plugging, scaling,↗

DOE OSTI2021

Underlying simplicity of 5f unoccupied electronic structure

Using a simple empirical model based upon the bremsstrahlung isochromat spectroscopy of elemental Th, it is possible to explain the recent high energy resolution fluorescence detection measurements of UF 4 (n = 2) and UCd 11 (n = 3) as well as the new inverse photoelectron spectroscopy of Pu 2 O 3 (n = 5), where n is the 5f occupation number. Furthermore, a critical issue in this analysis is the assumption that the Th 5f states are essentially empty, which will be confirmed both experimentally and computationally. Thus, for 5f systems, this simple model provides a unified and consistent picture of 5f unoccupied density of states in simple, localized systems, as the 5f occupation varies in the early part of the series, for n = 0, 2, 3, and 5.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Differentially Private Map Matching (DPMM) v1.0

Human mobility trajectories provide valuable information for developing mobility applications, as they contain diverse and rich information about the users. User mobility data is valuable for various applications such as intelligent transportation systems (ITS), commercial business models, and disease-spread models. However, such spatio-temporal traces may pose a threat to user privacy. GPS trajectories in their raw form are not suitable for transportation studies, as they require matching locations with nearest road links — a process called map-matching. This software implements a differential privacy (DP)-based map-matching algorithm, called DPMM, that generates link-level location trajectories in a privacy-preserving manner to protect users' origin destinations (OD) and travel paths. OD privacy is achieved by injecting Planar Laplace noise to the user OD GPS points. Travel-path privacy is provided with randomized travel path construction using exponential DP mechanism. The injected noise level is selected adaptively, by considering the link density of the location and the functional category of the localized links. For path privacy, our mechanism samples waypoints and selects candidate paths between waypoints. DPMM provides privacy effectively with respect to link density instead of other trajectory samples in the database compared to other privacy mechanisms. Compared to the different baseline models our DP-based privacy model offers closer query responses to the raw data in terms of individual and aggregate trajectory-level statistics with an average at absolute deviation from the baseline for individual statistics on ϵ = 1.0. Beyond individual trajectory statistics, the DPMM outperforms the other benchmark DP-based mechanisms on different aggregate statistics with up to 8x improvement in utility.

Peisert, Sean [Lawrence Berkeley National Laborato↗

DOE OSTI2025

Differentially Private Adaptive Noise Injection (DP-ANI) v1.0

Location data is collected from users continuously to understand their mobility patterns. Releasing the user trajectories may compromise user privacy. Therefore, the general practice is to release aggregated location datasets. However, private information may still be inferred from an aggregated version of location trajectories. Differential privacy (DP) protects the query output against inference attacks regardless of background knowledge. This software implements a differential privacy-based privacy model that protects the user's origins and destinations from being inferred from aggregated mobility datasets. This is achieved by injecting Planar Laplace noise to the user origin and destination GPS points. The noisy GPS points are then transformed into a link representation using a link-matching algorithm. Finally, the link trajectories form an aggregated mobility network. The injected noise level is selected using the Sparse Vector Mechanism. This DP selection mechanism considers the link density of the location and the functional category of the localized links. Compared to the different baseline models, including a k-anonymity method, our differential privacy-based aggregation model offers query responses that are close to the raw data in terms of aggregate statistics at both the network and trajectory-levels with maximum 9% deviation from the baseline in terms of network length.

Peisert, Sean [Lawrence Berkeley National Laborato↗

DOE OSTI2025

Energy efficiency and thermal resilience analysis for row houses using representative building energy models

Row houses, a prevalent medium-density urban archetype, were popularized during industrial era to accommodate the working class in the U.S. cities. Today, many of these structures are deteriorating, exacerbating the energy cost for residents with limited economic resources. Moreover, many households that lack Air Conditioning (AC) are vulnerable to extreme summer heat, an issue expected to worsen in the future. Energy-efficient retrofits can help mitigate these challenges. However, current literature provides limited insight into how existing building energy codes impact the energy efficiency and thermal resilience of row houses in current and future weather scenarios. This study provides a detailed method to address this gap by employing calibrated representative energy models of row houses as a baseline, and evaluating the annual energy savings and summertime thermal safety improvements from code compliant retrofits under current and future typical weather conditions. Using Baltimore City as a case study, results show that under current weather, retrofitting row houses yields significant energy savings along with notable thermal resilience improvements. The end unit row house realizes higher energy savings, whereas the interior unit experiences greater thermal resilience improvement after retrofitting. In future, retrofitted row houses can still save energy, but residents will face numerous hours of fatal indoor temperatures without AC in summer. Additionally, findings reveal stark zone-wise variations in thermal safety, and elevated humidity risks in certain zones post-retrofit, emphasizing the need for zonal retrofit strategies and better natural ventilation strategies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Activation Domain Hunter (ADhunter) v2.0

ADhunter is a software program that enables accurate identification and quantification of transcriptional activation domains. Unlike previous software, ADhunter uses protein representations from a pre-trained protein language model, model ensembling, and a training dataset from a diverse sampling of protein sequence space for state-of-the-art performance. These advantages enable improved perception of transcriptional activation domains across sequence space that can be used for mapping natural genetic circuits and engineering synthetic genetic circuits. In particular, ADhunter enables fine-tuned control of gene expression through synthetic transcription factors that can be used for complex control of cellular programs.

Waldburger, Lucas [Lawrence Berkeley National Labo↗