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DOE OSTI2024

Structural and functional characterization of IgG- and non-IgG-based T-cell-engaging bispecific antibodies

Bispecific T-cell-engaging antibodies are a growing class of therapeutics with numerous molecules being tested in clinical trials and, currently, seven of them have received market approval. They are structurally complex and function as adaptors to redirect the cytotoxicity of T cells to kill tumor cells. T-cell-engaging bispecific antibodies can be generally divided into two categories: IgG/IgG-like and non-IgG-like formats. Different formats may have different intrinsic potencies and physiochemical properties, and comprehensive studies are needed to gain a better understanding of how the differences in formats impact on structural and functional characteristics. In this study, we designed and generated bispecific T-cell-engaging antibodies with IgG-like (DVD-Ig) and non-IgG (BiTE) formats. Both target the same pair of antigens (EGFR and CD3) to minimize the possible influence of targets on functional characterization. We performed a side-by-side comparison to assess differences in the physiochemical and biological properties of these two bispecific T-cell-engaging antibodies using a variety of breast and ovarian cancer cell-based functional assays to delineate the structural–functional relationships and anti-tumor activities/potency. We found that the Fc portion of T-cell-engaging bispecific antibodies can significantly impact antigen binding activity, potency, and stability in addition to eliciting different mechanisms of action that contribute the killing of cancer cells.

cluster of differentiation 3 (CD3)↗

DOE OSTI2026

Empirical investigation of nuclear correlation function distributions in lattice QCD

Two-point correlation functions of systems with baryon number 𝐵 ∈ {1,2,3,4} are investigated using lattice quantum chromodynamics (QCD). In particular, the empirical distributions of importance-sampling Monte-Carlo samples of these correlation functions are examined as a function of the spacetime separation between the two points and the baryon number. While the exact forms of these distributions are not known for QCD, recent work has determined asymptotic expressions for analogous correlation function distributions in simpler theories such as scalar field theory and the disordered phase of the 𝑂⁡(𝑁) model. The theoretical 𝑂⁡(𝑁) model distributions are found to provide an accurate description of the empirical QCD distributions at zero momentum over a wide range of temporal separations for each baryon number when assessed with a range of different statistical tests. In particular, the behavior of the baryon number 𝐵 QCD correlation function at large temporal separation is well reproduced by the 𝑂⁡(𝑁 ∼ 2/𝐵) model distribution.

Lattice field theory↗

DOE OSTI2025

Validation of the DESI 2024 Lyα forest BAO analysis using synthetic datasets

The first year of data from the Dark Energy Spectroscopic Instrument (DESI) contains the largest set of Lyman-α (Lyα) forest spectra ever observed. This data, collected in the DESI Data Release 1 (DR1) sample, has been used to measure the Baryon Acoustic Oscillation (BAO) feature at redshift z = 2.33. In this work, we use a set of 150 synthetic realizations of DESI DR1 to validate the DESI 2024 Lyα forest BAO measurement presented in [1]. The synthetic data sets are based on Gaussian random fields using the log-normal approximation. We produce realistic synthetic DESI spectra that include all major contaminants affecting the Lyα forest. The synthetic data sets span a redshift range 1.8 < z < 3.8, and are analyzed using the same framework and pipeline used for the DESI 2024 Lyα forest BAO measurement. To measure BAO, we use both the Lyα auto-correlation and its cross-correlation with quasar positions. We use the mean of correlation functions from the set of DESI DR1 realizations to show that our model is able to recover unbiased measurements of the BAO position. We also fit each mock individually and study the population of BAO fits in order to validate BAO uncertainties and test our method for estimating the covariance matrix of the Lyα forest correlation functions. Finally, we discuss the implications of our results and identify the needs for the next generation of Lyα forest synthetic data sets, with the top priority being to simulate the effect of BAO broadening due to non-linear evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Filling the gap: hunting for vector bosons at the MUonE experiment with displaced decay signature

The upcoming MUonE experiment aims to precisely measure the running of the fine structure constant via elastic muon-electron scattering, to shed light on the current tension in the muon’s anomalous magnetic moment. In addition to its primary function as a precision experiment, MUonE also offers a unique testing ground to probe long-lived vector bosons. Such vector bosons can be produced via μe → μeV or μN → μNV scattering and decay into an electron/positron pair a few centimeters away from the interaction point. With its high-resolution tracking system and unique geometric design, MUonE is well-suited to reconstruct displaced vertices close to the target, allowing it to probe parameter space previously unattainable at colliders and longer-baseline beam dump experiments. We present a comprehensive study of the discovery potential of BSM vector boson mediators at the MUonE experiment. We show that MUonE can fill the long-standing gap in the parameter space of vector boson mediators with masses up to around 100 MeV.

Models for Dark Matter↗

DOE OSTI2026

An immersed interface method for microstructure-scale electrochemical battery models: numerical formulation and performance portable implementation

We present the numerical formulation, verification, and performance portable implementation of an immersed interface method for microstructure scale electrochemical modeling of batteries. The innovation in this approach is the resolution of chemical species and electrostatic potential discontinuities at active interfaces without the use of interface conforming unstructured grids. A unified formulation on Cartesian grids for all domains (electrodes and electrolyte) is used with interfacial flux conditions applied using volume fraction or “color” function gradients. We have developed one dimensional and two dimensional test cases with analytic solutions for electrochemical modeling using which we verified the consistency and accuracy of our scheme. Our solver is also validated against solutions from a macroscale model and an unstructured multi-subdomain solver for a full lithium ion cell. We then demonstrated the utility of our solver on an image-based complex battery electrode microstructure at high charging rate. Our technique also exhibits good scalability on distributed memory architectures using central processing units (CPU), with problem sizes up to 1.8 billion degrees of freedom and with 5400 ranks. Initial performance studies of our open-source performance portable solver showed about 70 times speed up using a graphics processing unit (GPU) compared to single compute core for a problem with 4 million cells.

25 ENERGY STORAGE↗

DOE OSTI2025

Commercial building HVAC demand flexibility with model predictive control: Field demonstration and literature insights

Model Predictive Control (MPC) for building Heating Ventilation and Air Conditioning (HVAC) systems is beginning to gain traction in the market, with a few controls companies incorporating it into their product offerings. However, it remains difficult to assess whether the energy cost savings are enough to justify the cost of MPC implementation for a particular building, given the limited number of reported demonstrations. For small commercial and residential buildings with relatively uniform systems, standardized approaches can help lower implementation costs. In contrast, for large buildings or district systems, the potential magnitude of cost savings could justify more customized solutions. Estimating the cost-effectiveness of MPC becomes more challenging for medium and large commercial buildings, where a one-size-fits-all solution may not be suitable, and the potential energy cost savings may be insufficient to justify a customized solution. To make MPC technology more appealing, incorporating additional value streams beyond energy efficiency alone can significantly increase its attractiveness. One such revenue stream is demand flexibility, in response to dynamic electricity prices, where MPC can leverage the thermal mass of the building to shift the load and support the grid. Building on an extensive literature review of MPC field studies focused on cost savings and demand flexibility, this paper presents the results of implementing MPC control in a large office building HVAC system in Berkeley, CA. Four different dynamic electricity price profiles were integrated into the MPC objective function to shift building demand while maintaining comfort, and field testing was performed with each price profile across four seasons. The results show potential for 40–65 % demand decrease percentage and up to 61 % annual cost savings compared to the existing rule-based control strategy, under the tested dynamic price scenarios. This paper also presents a sensitivity analysis on the cost savings with respect to the price profile variability, discusses the implementation effort for the price-responsive MPC, and compares the cost savings found in this study to those found in literature on the basis of dynamic price variability, or so-called Electricity Price Relative Standard Deviation.

Zanetti, Ettore↗

DOE OSTI2025

Thermophysical Properties of NaCl–UCl 3 –PuCl 3 Molten Salts: A Combined Computational and Experimental Study

Actinide-bearing molten salts for use as fuels are an essential part of next generation molten salt reactors. Yet, numerous multicomponent salt mixtures are underdeveloped or have not been investigated. Here, this study, based on a combination of experimental and modeling techniques, is dedicated to determining and understanding a variety of properties of the ternary system of NaCl–UCl 3 –PuCl 3 , which represents a scenario for burnup of NaCl–UCl 3 fuel, at two compositions (∼10 and 5 mol % PuCl 3 in eutectic NaCl–UCl 3 pseudobinary) and a range of temperatures. Evaluation of the heat flow and mass loss data showed the 0.61NaCl–0.30UCl 3 –0.09PuCl 3 salt had a melting temperature of 551 ± 5 °C. Two additional thermal effects were observed occurring at approximately 410 and 494 °C. The transition occurring at 410 °C may be due to the presence of oxide in the salt. Extrapolation of thermodynamic data indicates the transition occurring at 494 °C is due to the formation of a liquid phase. Experimental testing determined the density of this system is a linear function of temperature and can be represented by the equation ρ = 4.014–0.0010T(°C), R 2 = 0.992. Additionally, by using atomistic modeling, we found that increasing the PuCl 3 content from 5 to 10 mol % led to the formation of larger Pu 3+ clusters and slower transport of ions.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Unraveling trace anomaly of supradense matter via neutron star compactness scaling

The trace anomaly Δ ≡ 1/3 −𝑃/𝜖 =1/3 −𝜙 quantifies the possibly broken conformal symmetry in supradense matter under pressure 𝑃 at energy density 𝜖. Perturbative QCD (pQCD) predicts a vanishing Δ at extremely high energy or baryon densities when the conformal symmetry is realized but its behavior at intermediate densities reachable in neutron stars (NSs) is still very uncertain. The extraction of Δ from NS observations strongly depends on the employed model for nuclear equation of state (EOS). Using the IPAD-TOV method based on an intrinsic and perturbative analysis of the dimensionless (IPAD) Tolman-Oppenheimer-Volkoff (TOV) equations that are further verified numerically by using 10 5 EOSs generated randomly with a metamodel in a very broad EOS parameter space constrained by terrestrial nuclear experiments and astrophysical observations, here we first show that the compactness 𝜉 ≡ 𝐺⁡𝑀 NS /𝑅⁢𝑐 2 ≡ 𝑀 NS /𝑅 of a NS with mass 𝑀 NS and radius 𝑅 scales very accurately with $\bar{Π}$ c ≡ $Π$ c · (1 +18⁢X/25) ≡ X/(1 +3⁢X 2 +4⁢X) · (1 +18⁢X/25) where X ≡ 𝜙 c = 𝑃 c /𝜖 c is the ratio of pressure over energy density at NS centers. The scaling of NS compactness thus enables one to readily read off the central trace anomaly Δ c = 1/3 −X directly from the observational data of either the mass-radius or red-shift measurements. Finally, we then demonstrate indeed that the available NS data themselves from recent X-ray and gravitational wave observations can determine model insensitively the trace anomaly as a function of energy density in NS cores, providing a stringent test of existing NS models and a clear guidance in a new direction for further understanding the nature and EOS of supradense matter.

nuclear astrophysics↗

DOE OSTI2026

Les Houches study on inclusive jet production at NNLO+NNLL

Jet production at the LHC is a powerful probe of QCD, making it ideal for precision tests and determinations of QCD parameters such as parton distribution functions and the strong coupling constant. To make the most of the abundant jet production data collected at the LHC, precise calculations are required. While state-of-the-art calculations reach next-to-next-to-leading order (NNLO) QCD accuracy, a critical assessment of the remaining uncertainties arising from non-perturbative effects and missing higher orders remains crucial for correctly interpreting comparisons between theory and data. Scale variation is nearly always used to determine effects from missing higher orders. In this article, we reassess this method in the context of inclusive jet production by performing NNLO QCD calculations supplemented by small-jet-radius resummation through next-to-next-to-leading-logarithmic accuracy (NNLL). We find that NNLL resummation can have an appreciable impact on the scale uncertainty for inclusive jet cross sections, and, for some scale choices, can lead to sizeable shifts of the central cross section. We conclude that scale variations in fixed-order and resummed calculations can drastically underestimate the impact of higher orders for commonly used jet radius parameters, and that missing higher-order estimates obtained via scale variations should be considered unreliable. Our findings add further evidence to the importance of going beyond scale variations in jet and jet substructure calculations.

Lee, Kyle↗

DOE OSTI2024

Precision Agriculture using Networks of Degradable Analytical Sensors (PANDAS) (Final Technical Report)

Precision agriculture, where sensing of soil, environment and crop conditions are used to precisely synchronize inputs (such as water and fertilizer) to crop needs enhances input use efficiency. This can improve yields and farm profitability while mitigating environmental losses, improving soil carbon content and substantially decreasing energy use for food, feed and fuel crops. Unfortunately, farmers are not yet able to harness the full potential of these management technologies as there is a lack of available management information, and there is therefore a need for sensors that are able to economically measure spatio-temporal variability in soil and crop properties of extremely heterogeneous farm fields precisely at high resolution and at low cost. Real-time, in-situ monitoring of agricultural soil conditions is today carried out using devices that limit the total number of nodes that can be used economically to typically one per acre or less. Higher spatio-temporal resolution sensing would enable more precise agricultural input optimization, with significant benefits to the farmer and the environment. In order to address this issue, this project focused on developing additively manufactured, biodegradable, soil sensors with predicted costs of < $\$$1 per unit to monitor crop inputs (such as water and fertilizer) that predictably, harmlessly degrade away into the soil when no longer needed. These sensor nodes should be easy to place, accurately and continuously monitor soil and crop conditions for an entire season, be read remotely using existing farm equipment, require no ongoing maintenance, not impede farm operations and produce no persistent waste. This approach could enable a >100× increase in information density over current solutions for precision farming of row and other crops, and lead to significant reductions in input energy use and provide increased yield for biofuel crops. Over the course of this project the team at the University of Colorado Boulder, University of California Berkeley, and Colorado State University/Kansas State University investigated a wide range of printable biodegradable electronic materials and sensor designs for determining soil moisture and soil nitrate concentration. These efforts expanded the available materials set for printed soil degradable electronic materials, particularly for conductors, enabling high conductivity and stability. Printed soil moisture and nitrate sensors with suitable sensitivity and selectivity were developed and characterized. Low power and passive wireless electronic systems were integrated with the soil sensors, and testing was carried out with completed sensors to understand their functionality under agricultural conditions. Additionally, other sensor types enabled by the biodegradable materials set created during this project, such as soil microbial activity sensors, were also developed and demonstrated. Project outputs include 10 peer reviewed publications, 4 patent applications, 21 technical presentations, 3 PhD thesis, 10 media reports, 8 additional grants worth over $\$$6M, and the formation of 3 start-up companies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Heat Transfer in Void Generating Foam Decomposition: Further Development

Continued development of the additive conductivity material model, used to simulate changes in heat transfer that occurs in void generating foam decomposition, has resulted in an improved model and new features. The previous version of the model was calibrated against the Aria Bulk Fluid Element (BFE) solution and proposed a third-order polynomial correction term best captured the increased heat transfer due to voids in the foam. An investigation of the Fuego Conjugate Heat Transfer (CHT) and Aria BFE solutions at several geometries revealed the CHT solution and BFE solution had differing behavior across length scales, especially at smaller scales. Five calibration studies, using the Fuego CHT as the calibration data, were carried out with polynomial functions of 4-th, 3-rd, 2-nd, 1-st and 0-th orders to determine the best correction function that generalized well across length scales. Each polynomial function was calibrated/trained on six different sized geometries and then tested on three uniquely sized geometries. This study revealed that the 1-st order additive conductivity model performed the best. A new feature of void formation scaling was implemented to more realistically capture the heat transfer as voids are created. A scaling term was added to the model to activate the conductivity correction as decomposition progresses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Real-Time Testbed for Smart Grid Recloser Controller

The growing need for a low voltage recloser has become apparent due to the rise in requirements for a smart grid. This includes more detailed management of power flow forward (towards load) and backward (towards generation), source synchronization in real time, more indepth fault responses, and the use of green energy. The SEL-651R-2 relay is a device that can manage these needs, especially in fault response and synchronization, and is commonly used in systems called microgrids. Microgrids are distribution level systems that are able to operate separated from the main grid, are typically installed much closer to the load(s), and are fed by distributed energy resources (DERs), such as wind, solar or diesel generators. The SEL-651R-2 is normally used in the field with presets operative settings, but the Western Michigan University (WMU) Center for Interdisciplinary Research on Secure, Efficient and Sustainable Energy Technology (WMU InterEnergy Center) wished to test this device in its range of capabilities for microgrid application. A Hardware-In-the-Loop (HIL) testbed was implemented and used through the Real Time Digital Simulator (RTDS) using the RSCAD software to test the SEL-651R-2's use cases and functions. The testbed includes a microgrid with interconnection to a larger main grid, and the relay is meant to control the recloser at the point of common coupling (PCC) between the main grid and microgrid. The testbed shows how basic protections, reclosing, and synchronization checks function when handling faults that affect both the microgrid and the main grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Rapid T cell engineering to counter emerging threats (Full Technical Report)

Instead of genetic engineering, we sought to determine if a rapid method of membrane protein delivery could generate functional CAR-T cells in a rapid, safer, cost-effective manner. Using cell free protein synthesis, we generated CAR proteins embedded in a nanodisc, and thus effectively solubilized the protein. We demonstrated the first functional CAR proteins outside of a cellular context. We next tested uptake into immune cells and found extremely high uptake into T cells and multiple other populations of immune cells. We found some evidence of cytotoxicity in vitro conferred by the nanodisc delivered protein.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Experimental Validation of a Modular All-Electric Power Take-Off Topology for Wave Energy Converter Enabling Marine Renewable Energy Interconnection

Power electronic converters are an enabling technology for the emerging marine energy applications, such as using ocean waves to produce electricity. This paper outlines the power take-off system and its key components used in a wave energy converter offering modularity and scalability to generate power efficiently. The proposed power take-off system was implemented based on a modular multilevel converter and could be deployed to convert any alternating current electrical energy to a different alternating current for interconnection to grid or non-grid applications. Examples of widespread deployment are supplying electricity to coastal communities or producing clean drinking water. The analysis using both the simulation tests and laboratory experiments verified the design objectives and basic functionality of the developed power take-off system. An acceptable response using a field programmable gate array-based controlled laboratory testbench was achieved, complying with guidelines specified in the prevalent industry standards. Seamless operation during steady-state and transients for the studied wave energy converter was achieved as supported by the obtained results. The key findings of this work were experimentally examined under different load conditions, direct current bus voltage fluctuations, and generator speed–torque regulation. The ability of the power take-off system to generate high-power quality of the waveforms, e.g., against adhering to the IEEE 519-2022 standard for total harmonic distortion limits, is also confirmed.

Engineering↗

DOE OSTI2025

Rooting for function: community‐level fine‐root traits relate to many ecosystem functions

Humans are driving biodiversity change, which also alters community functional traits. However, how changes in the functional traits of the community alter ecosystem functions—especially belowground—remains an important gap in our understanding of the consequences of biodiversity change. We test hypotheses for how the root traits of the root economics space (composed of the collaboration and conservation gradients) are associated with proxies for ecosystem functioning across grassland and forest ecosystems in both observational and experimental datasets from 810 plant communities. First, we assessed whether community-weighted means of the root economics space traits adhered to the same trade-offs as species-level root traits. Then, we examined the relationships between community-weighted mean root traits and aboveground biomass production, root standing biomass, soil fauna biomass, soil microbial biomass, decomposition of standard and plot-specific material, ammonification, nitrification, phosphatase activity, and drought resistance. We found evidence for a community collaboration gradient but not for a community conservation gradient. Yet, links between community root traits and ecosystem functions were more common than we expected, especially for aboveground biomass, microbial biomass, and decomposition. These findings suggest that changes in species composition, which alter root trait means, will in turn affect critical ecosystem functions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

First simultaneous measurement of the γ-ray and neutron emission probabilities in inverse kinematics at a heavy-ion storage ring

The probabilities for γ-ray and particle emission as a function of the excitation energy of a decaying nucleus are valuable observables for constraining the ingredients of the models that describe the deexcitation of nuclei near the particle emission threshold. These models are essential in nuclear astrophysics and applications. In this paper, we have for the first time simultaneously measured the γ-ray and neutron emission probabilities of 208 Pb. The measurement was performed in inverse kinematics at the Experimental Storage Ring (ESR) of the GSI/FAIR facility, where a 208 Pb beam interacted through the 208 Pb (p,p') reaction with a hydrogen gas jet target. Instead of detecting the γ rays and neutrons emitted by 208 Pb, we detected the heavy beamlike residues produced after γ and neutron emission. These heavy residues were fully separated by a dipole magnet of the ESR and were detected with outstanding efficiencies. The comparison of the measured probabilities with model calculations has allowed us to test and select different descriptions of the γ-ray strength function and the nuclear level density available in the literature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Tension-compression asymmetry in superelasticity of SrNi 2 P 2 single crystals and the influence of low temperatures

ThCr 2 Si 2 -type intermetallic compounds are known to exhibit superelasticity associated with structural transitions through lattice collapse and expansion. These transitions occur via the formation and breaking of Si-type bonds, respectively, under uniaxial loading along the [0 0 1] direction. Unlike most ThCr 2 Si 2 -type intermetallic compounds, which have either an uncollapsed tetragonal structure or a collapsed tetragonal structure, SrNi 2 P 2 possesses a third type of collapsed structured: a one-third orthorhombic structure, for which one expects the occurrence of unique structural transitions and superelastic behavior. In this study, uniaxial compression and tension tests were conducted on micron-sized SrNi 2 P 2 single crystalline columns at room temperature, 200 K, and 100 K, to investigate the influence of loading direction and temperature on the superelasticity of SrNi 2 P 2 . Experimental data and density functional theory calculations revealed the presence of tension-compression asymmetry in the structural transitions and superelasticity, as well as an asymmetry in their temperature dependence, due to the opposite superelastic process associated with compression (forming P-P bonds) and tension (breaking P-P bonds). Additionally, following thermodynamics, the observations suggest that this asymmetric superelasticity could lead to an opposite elastocaloric effect between compression and tension, which could be beneficial potentially in obtaining large temperature changes compared to conventional superelastic solids that show the same elastocaloric effect regardless of loading direction. Furthermore, these results provide an important fundamental insight into the structural transitions, superelasticity processes, and potential elastocaloric effects in SrNi 2 P 2 .

36 MATERIALS SCIENCE↗

DOE OSTI2025

Single Primary Heat Extraction and Removal Emulator (SPHERE) Long Duration Testing

For the development of heat-pipe cooled microreactors, it is crucial to thoroughly understand the characteristics and functioning of heat pipes across a wide spectrum of operating conditions. Passive heat removal and its long-term performance stability are critical factors in this context. Enhanced experimental data is vital for evaluating the operational lifespan of alkali metal heat pipes. Idaho National Laboratory (INL) has successfully conducted an extended duration test on a high-performance sodium-filled heat pipe, closely monitoring the axial temperature profile, power supplied by the heaters, and heat removed by a gas-gap calorimeter. The results from this testing provide valuable data that are instrumental in supporting heat pipe validation efforts. Specifically, this data aids in the development and validation of Sockeye, the Multiphysics Object-Oriented Simulation Environment (MOOSE) tool under the US-DOE NEAMS program designed for heat pipe modeling. By comparing experimental results with Sockeye’s predictions, the tool's accuracy and reliability can be assessed and improved, thereby enhancing its capability to simulate heat pipe operations under various conditions.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗