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261 records · Page 11

Oversizing and Part-Load Problems

Oversizing, the common engineering practice of specifying devices with capacity exceeding the actual load requirement, is a widespread practice across virtually all building technologies end-use categories, including HVAC, electrical systems, lighting, appliances, and plug loads. This practice, driven by factors like design uncertainty, institutional pressures, and risk aversion, results in wasted capital investment, control difficulties, and excessive energy consumption due to inefficient part-load operation. Part-load operation, where devices run below maximum capacity, is the dominant operating mode in most energy systems and presents a complex design challenge. Solutions to match output to load fall into three broad categories: constraining the output, adjusting the device’s internal behavior, and linking output to energy storage or other waste-heat reuse applications. The energy implications of part-load are critical, as efficiency often drops sharply as load decreases across a wide diversity of devices. To quantify the extent of this problem, we derive a dimensionless Part-Load Metric (PLM) based on device efficiency and its frequency distribution of operating hours at various output levels. The PLM quantifies the deviation of a device's actual efficiency from its maximum design efficiency. This metric also serves as a measure of "capital inefficiency," enabling engineers to compare the impact of different part-load solutions and providing a unified framework for evaluating performance across various devices and systems.

Meier, Alan

Propane Activation on Pt Electrodes at Room Temperature: Quantification of Adsorbate Identity and Coverage

Abstract C−H bond activation is the first step in manufacturing chemical products from readily available light alkane feedstock and typically proceeds via carbon‐intensive thermal processes. The ongoing emphasis on decarbonization via electrification motivates low‐temperature electrochemical alternatives that could lead to sustainable chemicals production. Platinum (Pt) electrocatalysts have shown activity towards reacting alkanes; however, little is known about propane electrocatalytic activation and conditions suitable for enabling selective oxidation to valuable products. Herein, we utilize a combination of electrochemical mass spectrometry (ECMS) and density functional theory (DFT) calculations to elucidate the potential dependence of propane activation on Pt electrocatalysts. Results show a strong dependence of adsorption on the applied potential in room‐temperature aqueous acidic electrolyte, with a maximum coverage of propane‐derived adsorbates at 0.30 V vs RHE. Using charge deconvolution and deuterated experiments, the mechanism of adsorption was elucidated, and C 3 H 2 * was determined as the average dehydrogenated propane‐derived adsorbate species. DFT calculations further corroborate these results, showing that the formation of deeply dehydrogenated species is energetically accessible at room temperature. The combined theoretical and experimental findings yield insights for selective activation of paraffinic C−H bonds at room temperature, aqueous conditions—a critical step towards decarbonized chemical manufacturing.

Chemistry

The Role of Nuclear Data Sensitivities in Prompt α-Eigenvalue Predictions of Delayed Critical Benchmarks

Alpha (α) eigenvalues, which describe the logarithmic time derivative of the neutron population in a multiplying system, are integral to time-dependent behavior and diagnostic applications. However, uncertainties in the evaluated nuclear data can significantly impact the accuracy of transport simulations for such quantities. This work explores the use of machine learning models to predict two key outputs, α-eigenvalues and keff bias, using input features derived from α-eigenvalue sensitivities to nuclear data. The criticality safety benchmark models used in this study come from the International Handbook of Evaluated Criticality Safety Benchmark Experiments. Three models, random forest, XGBoost, and NGBoost, are trained on both energy-resolved and energy-summed α sensitivities. For the α-eigenvalue bias prediction, NGBoost achieved the highest R 2 (0.9476) using energy-resolved features, while XGBoost performed best using summed sensitivities. In contrast, when predicting the keff bias, all the models showed moderate predictive capability (best R 2 ≈ 0.72), as the mapping from the static α-sensitivities to the static keff bias was less direct. SHAP (SHapley Additive exPlanations) analysis was used to interpret the model predictions. Across both prediction tasks, the features associated with neutron capture [H-1 (n, γ)], uranium scattering reactions (such as 235 U elastic/inelastic), and actinide capture/fission reactions (such as 239 Pu and 234 U) were consistently identified as the most impactful. This highlights the key role of specific nuclear reactions and energy ranges in shaping both time-dependent and steady-state criticality behavior. These results demonstrated that α-sensitivities, despite being computed for time-dependent metrics, can provide valuable insights for predicting both α-eigenvalues and the keff bias. Moreover, machine learning models offer a promising pathway for uncovering important nuclear data dependencies and guiding future data evaluation efforts.

Nuclear data

Directing Assembly of Mesoscale Multi‐Shell Morphologies of DNA Origami Crystals

Nature builds hierarchically ordered materials, such as seashells, wood, and bones, through spatially and temporally regulated growth. Mimicking such a level of control in synthetic systems remains challenging, particularly in achieving multiscale organizations with prescribed nanoscale arrangements and desired material morphologies. In this study, we introduce a DNA-based self-assembly strategy for constructing diverse multi-shell mesoscale morphologies from nanoscale lattices, enabling prescribed structural, and compositional 3D material patterns. Using DNA origami frames as modular monomers, we direct anisotropic epitaxial growth through addressable DNA frame binding motifs and encapsulate nanoparticles (NPs) in desired 3D patterns. Sequential monomer addition under thermodynamically favorable conditions enables shell growth through heterogeneous nucleation while minimizing unwanted homogeneous nucleation. Here, we demonstrate that DNA-encoded addressability enables epitaxial shell growth along specific lattice directions, yielding crystals with multilayered mesoscale organization, including tube-like (sushi roll) and plate-like (macaron) morphologies. Shell-specific NP configurations and compositions are achieved through addressable and differentiated placement of NPs within each shell, as validated by small-angle x-ray scattering and cross-sectional scanning transmission electron microscopy. We further demonstrate addressable NP release and reveal that shells modulate release kinetics. Together, these findings establish a platform for fabricating DNA origami crystals with programmable mesoscale morphologies, nanoscale structure, composition, and transport properties.

3D patterning

Polymer connectivity governs electrophotocatalytic activity in the solid state

The reductive functionalization of inert substrates such as chloroarenes is a critical yet challenging transformation relevant to both environmental remediation and organic synthesis. Combining electricity and light is an emerging strategy to access the deeply reducing potentials required for single electron transfer to chloroarenes, yet this approach is limited by poor stability and mechanistic ambiguity. Here, in this work, we demonstrate heterogeneous electrophotocatalysis using redox-active rylene diimide polymers for the reduction of chloroarenes. We find that the electrophotocatalytic activity varies dramatically as a function of the rylene diimide and the redox-inactive polymer backbone. In particular, a flexible, non-conjugated perylenediimide polymer outperforms all other tested electrophotocatalysts. Transient absorption spectroscopy reveals that precomplexation between the doubly reduced perylenediimide and the haloarene substrate is key to productive catalysis. Overall, this work highlights heterogeneous electrophotocatalysis using insoluble redox-active organic materials and provides critical structure–property insights into solid-state electrophotocatalytic activity, informing the development of next-generation materials for sustainable synthesis.

electrocatalysis

Block copolymer self-assembly derived mesoporous magnetic materials with three-dimensionally (3D) co-continuous gyroid nanostructure

Magnetic nanomaterials are gaining interest for their many applications in technological areas from information science and computing to next-generation quantum energy materials. While magnetic materials have historically been nanostructured through techniques such as lithography and molecular beam epitaxy, there has recently been growing interest in using soft matter self-assembly. In this work, a triblock terpolymer, poly(isoprene-block-styrene-block-ethylene oxide) (ISO), is used as a structure directing agent for aluminosilicate sol nanoparticles and magnetic material precursors to generate organic–inorganic bulk hybrid films with co-continuous morphology. After thermal processing into mesoporous materials, results from a combination of small angle X-ray scattering (SAXS) and scanning electron microscopy (SEM) are consistent with the double gyroid morphology. Nitrogen sorption measurements reveal a type IV isotherm with H1 hysteresis, and yield a specific surface area of around 200 m 2 g −1 and an average pore size of 23 nm. The magnetization of the mesostructured material as a function of applied field shows magnetic hysteresis and coercivity at 300 K and 10 K. Comparison of magnetic measurements between the mesoporous gyroid and an unstructured bulk magnetic material, derived from the identical inorganic precursors, reveals the structured material exhibits a coercivity of 250 Oe, opposed to 148 Oe for the unstructured at 10 K, and presence of remnant magnetic moment not conventionally found in bulk hematite; both of these properties are attributed to the mesostructure. This scalable route to mesoporous magnetic materials with co-continuous morphologies from block copolymer self-assembly may provide a pathway to advanced magnetic nanomaterials with a range of potential applications.

Chemistry

Metrology for femtosecond pulsed x-ray heating in diamond anvil cell experiments at the European XFEL: Revisiting the iron phase diagram up to 150 GPa

The development of pulsed intense x-ray sources, such as free electron laser, offers new avenues for high pressure experiments. Here, we study the feasibility and metrology of x-ray heating in diamond anvil cells at the European x-ray free electron laser. This method enables one to volumetrically heat the sample while inhibiting chemical migration and probing the crystallographic structure of the sample throughout the heating with a high repetition rate. We focus our study on iron, whose phase diagram is well established up to 100 GPa, to explore the possibilities and limitations of this technique. We volumetrically heat iron samples at starting pressures ranging from 10 to 138 GPa, using the x-ray beam pulsed at 4.5 MHz in a serial pump-and-probe experimental design. Experimental challenges arise from temperature gradients within the sample, changes in temperature at the 100 ns timescale, the difficulty of direct temperature estimates, the effect of thermal pressure, and the presence of metastable crystallites due to rapid cycles of heating and cooling. Hence, we develop a multi-crystal-like data processing method that allows us to account for sample heterogeneity in probed conditions. We then calibrate our measurements using known physical properties of iron under pressure. Thermal pressure in our experiments increases from 4% of the isochoric prediction at 10 GPa to 23% at 138 GPa, and we show that our data are in agreement with most previous observations of iron in this pressure range. The method can now be implemented at higher pressures and temperatures and on materials with unknown phase diagrams.

Materials science

A New Shutdown Dose Rate Benchmark Problem for Representative Fusion Applications

Here, this work introduces a new benchmark problem for calculating shutdown dose rates (SDDRs) aimed at fusion reactor applications. The model is designed to represent a simplified version of a typical ITER port plug. The responses of interest include neutron flux, gamma flux, and gamma SDDR at 12 different locations scattered throughout the port. This article outlines the geometry specifications of the problem, provides material definitions for the components, specifies the required responses to be calculated, and presents the source definition information. The need for this benchmark arises from the limited availability of publicly accessible references, with only one benchmark representing the typical dimensions and materials found in fusion systems. This existing benchmark has been cited extensively, reflecting the demand within the scientific community to test both established and novel workflows for SDDR calculations. However, since its presentation at a conference in 2011, the results have become increasingly well known. Moreover, the absence of formal publication and peer review has led to the details of this benchmark being extracted from secondary sources, such as subsequent studies that reference it. As a result, analysts are left with significant flexibility in interpreting the key parameters, which can be adjusted to account for unknown systematic errors, ultimately reproducing the already well-known responses. This new benchmark serves as an updated version of that earlier work, with the aim of providing a more reliable description of the materials and their impurities, which is crucial for assessing activation and subsequent gamma emission. Additionally, it seeks to provide a geometry that more closely represents an ITER port plug. The improvements in the problem definition will lead to a more reproducible benchmark problem, while also presenting the radiation transport community with a completely new challenge. The results will be published in a future article to allow analysts adequate time to analyze this problem independently.

Benchmark

Cold Spray Cobalt Magnetostrictive Electromagnetic Acoustic Transducers for High Temperature Structure Monitoring

The Department of Energy’s Advanced Sensors and Instrumentation program seeks to develop and qualify advanced sensors for the nuclear industry. Reliable high temperature and high radiation sensors for detection and characterization of structural flaws in pipes, vessels, and structurally critical components is a weakness for both conventional light water reactors with coolant T-hot approaching 350oC, and for advanced reactors with T-hot temperatures in excess of 500 to 800oC. Magnetostrictive Electromagnetic Acoustic Transducers using a cold spray cobalt coating have been proposed as a sensor design that can withstand these kinds of temperatures and radiation levels to serve as online sensors to detect flaws before cracks, pits, or erosion/corrosion flaws progress to through-wall failures. This report tests cold spray cobalt as part of a magnetostrictive EMAT for high temperature service. Cobalt is known to have strong magnetostrictive properties however the effect of cold spray application is not well studied. This program was surprised to discover that cold sprayed cobalt exhibited little or no magnetostrictive behavior until it was thermally annealed. Following annealing to 650oC however, cold spray cobalt did exhibit a magnetostrictive response. Work to date prior to this milestone report publication showed that magnetostrictive EMAT was successfully tested to 400oC with an alnico permanent magnet. The program plans to extend testing with an electromagnet to higher temperatures. This follow-on work will be reported under subsequent publications or as a revision to this report.

Glass, Samuel W.

Observation of deuteron and antideuteron formation from resonance-decay nucleons

High-energy hadronic collisions generate environments characterized by temperatures above 100 MeV (refs.), about 100,000 times hotter than the centre of the Sun. At present, it is therefore unclear how light (anti)nuclei with mass number A of a few units, such as the deuteron, 3 He or 4 He, each bound by only a few MeV, can emerge from these collisions. Here, the ALICE Collaboration reports that deuteron–pion momentum correlations in proton–proton (pp) collisions provide model-independent evidence that about 90% of the observed (anti)deuterons are produced in nuclear reactions following the decay of short-lived resonances, such as the Δ(1232). These findings, obtained by the ALICE Collaboration at the Large Hadron Collider, resolve a gap in our understanding of nucleosynthesis in ultrarelativistic hadronic collisions. Apart from offering insights on how (anti)nuclei are formed in hadronic collisions, the results can be used in the modelling of the production of light and heavy nuclei in cosmic rays and dark-matter decays.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

A Chemist’s Guide to Solid-State Qubits: Diamond Color Centers as Embedded Vacancy-Centered Molecules

Diamond point defects or color centers are at the crux of solid-state quantum technology applications, from computing to sensing. Modeling molecular qubits has advanced by leaps and bounds mainly due to the advanced quantum mechanical (QM) tools in the arsenal of quantum chemists for modeling (isolated) molecular systems, which should be easily translatable for analogous systems in the solid state. Here, we simulate a series of diamond defects: a carbon vacancy (V C ) and second row substitutions that are adjacent to a V C or D C V C , with D = B, N, and O, to evaluate their magnetic and optical properties. We applied molecular orbital principles, an embedded cluster method, and a multiconfigurational QM theory to computationally characterize the above-mentioned defects for a multitude of spin, charge, and excited states. Our computational approach delivered high-quality QM insights that compare well with experiments. Furthermore, with this framework, we confirm the spin-triplets B C V C – and O C V C 0 to be analogous to N C V C – , with calculated bright transitions that respectively correspond to UV (3.80 eV) and blue (2.65 eV) light absorption and emission lifetimes (τ) of 2.3 and 5.6 ns, which are higher in energy and more short-lived (and thus brighter) than that for N C V C – : green (2.26 eV), τ = 9.5 ns.

Martirez, John Mark P. [Princeton Plasma Physics L

Ion Transport and Crystal Rotation in Plastic Crystal Electrolytes Under Applied Electric Fields

Organic ionic plastic crystal electrolytes, containing a plastic crystal and lithium salt, offer a potential balance between mechanical and electrochemical properties for solid state lithium-ion battery electrolytes. These electrolytes contain multiple mobile ionic species (three or four), resulting in complex transport mechanisms which have not yet been established. Plastic crystals are defined by long-range positional order and short-range rotational disorder. It is therefore necessary to quantify changes in the local crystal structure of the electrolyte as current flows through it. Herein, we examine the electrochemical properties of pyrrolidinium-based plastic crystal electrolytes containing lithium salt and zwitterion additives, including measurements of current fraction and limiting current. We obtain species-specific insight into electrolyte transport using pulsed-field gradient nuclear magnetic resonance spectroscopy and find that, while the zwitterion additive increases ionic conductivity, it decreases lithium diffusivity with respect to other ionic components. With operando spatiotemporally resolved wide-angle X-ray scattering we observe location-specific crystal rotations due to the passage of ionic current. In conclusion, we posit that reducing energy dissipation due to rotation is essential for using plastic crystal electrolytes in practical applications.

Yap, Kyra M. K. [University of California, Berkele

Multiscale aperture synthesis imager

Synthetic aperture imaging has enabled breakthrough observations from radar to astronomy. However, optical implementation remains challenging due to stringent wavefield synchronization requirements among multiple receivers. Here we present the multiscale aperture synthesis imager (MASI), which utilizes parallelism to break complex optical challenges into tractable sub-problems. MASI employs a distributed array of coded sensors that operate independently yet coherently to surpass the diffraction limit of single receiver. It combines the propagated wavefields from individual sensors through a computational phase synchronization scheme, eliminating the need for overlapping measurement regions to establish phase coherence. Light diffraction in MASI naturally expands the imaging field, generating phase-contrast visualizations that are substantially larger than sensor dimensions. Without using lenses, MASI resolves sub-micron features at ultralong working distances and reconstructs 3D shapes over centimeter-scale fields. MASI transforms the intractable optical synchronization problem into a computational one, enabling practical deployment of scalable synthetic aperture systems at optical wavelengths.

electrical and electronic engineering

Next-Generation Energy Technologies for Connected and Automated On-Road Vehicles (NEXTCAR) - Predictive Data-Driven Vehicle Dynamics and Powertrain Control: from ECU to the Cloud (Final Scientific/Technical Report)

This project developed and demonstrated a predictive, data-driven vehicle control system designed to improve energy efficiency and driving performance. The team created intelligent self-driving car technology that optimizes fuel and electricity use by proactively planning vehicle actions. By combining Level 4 autonomous driving capabilities with vehicle-to-everything (V2X) connectivity, the system enables vehicles to adjust speed and change lanes in response to traffic signals, surrounding vehicles, and road conditions, reducing unnecessary stops and delays. In testing, the system improved vehicle fuel economy by more than 30% and reduced travel time by approximately 10%, compared to a conventional adaptive cruise control baseline. These results demonstrate the technical effectiveness of using predictive, V2X-enabled strategies, such as traffic light timing and surrounding traffic awareness, to inform real-time vehicle powertrain control and driving behavior. Additionally, a supporting cloud platform was developed to provide dispatch and route recommendations as well as to log vehicle data, demonstrating the economic feasibility of this approach at the fleet level. By optimizing dispatching and routing operations, this technology enables electric fleet operators to use their vehicles more efficiently and reduce reliance on diesel backups, lowering both operating costs and energy consumption. Overall, this project’s technology advances the future of clean, energy-efficient transportation, enabling vehicles and fleets to reduce energy waste, cut costs, and lower emissions through intelligent automation and connectivity.

33 ADVANCED PROPULSION SYSTEMS

Noncollinear spin order, field-induced transitions, and short-range correlations in Cu 4 ⁢SO 4 ⁢(OH) 6

We report a comprehensive study of spin-$\frac{1}{2}$ quantum magnet brochantite, Cu 4 ⁢SO 4 ⁢(OH) 6 , combining high-field thermodynamic measurements, polarized neutron diffraction, inelastic neutron scattering, and nuclear magnetic resonance spectroscopy. Using bulk magnetization and specific heat measurements we construct the magnetic 𝐻−𝑇 phase diagram for magnetic fields applied along main crystallographic directions up to 24.1 T. Polarized neutron diffraction reveals a noncollinear magnetic ground state confined to the 𝑎⁢𝑏 plane. A field-induced transition is observed for magnetic fields in the 𝑎⁢𝑏 plane whose critical field and character evolve continuously with field direction in the 𝑎⁢𝑏 plane. While the transition for 𝐻 ∥ 𝑏 might be a spin-flop-like transition, the one for 𝐻 ∥ 𝑎 resembles the short-range correlated state above 𝑇 N , suggesting a magnetic configuration related to the quasi-two-dimensional correlations in the 𝑏⁢𝑐 planes. The experimental results demonstrate that the ground-state and field-induced phases cannot be explained by a simple XXZ model with a single dominant exchange interaction and that weaker interchain and anisotropic interactions have to be taken into account. Our work establishes brochantite as a low-symmetry Cu-based quantum magnet with noncollinear order and complex field-induced behavior.

Prokhnenko, Oleksandr [Helmholtz-Zentrum Berlin (H

Galaxy Size and Rotation Curve Diversity in ΛCDM with Baryons

The observed rotation curves of dwarf galaxies exhibit significant diversity at fixed halo mass, challenging galaxy formation within the cold dark matter (CDM) model. Previous cosmological galaxy formation simulations with baryonic physics fail to reproduce the full diversity of rotation curves, suggesting that there is a flaw in baryonic feedback models, observational bias, or that an alternative to CDM must be invoked. In this work, we use the Marvelous Massive Dwarf zoom-in simulations, a suite of high-resolution dwarf simulations with M 200 ∼ 10 10 –10 11 M ⊙ and M * ∼ 10 7 –10 9 M ⊙ , designed to target the mass range where the galaxy rotation curve diversity is maximized, i.e., between and 100 km s −1 . We add to this a set of low-mass galaxies from the Marvel Dwarf Zoom Volumes to extend the galaxy mass range to lower values. Our fiducial star formation and feedback models produce simulated dwarfs with a broader range of rotation curve shapes, similar to observations. These simulations both create dark matter cores via baryonic feedback, reproducing the slower-rising rotation curves, while also allowing for compact galaxies and steeply rising rotation curves. Our simulated dwarfs also reproduce the observed size–M * relation, including scatter, producing both extended and compact dwarfs for the first time in simulated field dwarfs. However, the slowly rising and high baryon mass fraction, as well as the steeply rising and low baryon mass fraction, remain missing. We explore star formation and feedback models and conclude that previous simulations may have had feedback that was too strong to produce compact dwarfs.

Cruz, Akaxia [Flatiron Institute, New York, NY (Un

Are Deep Energy Retrofits in Commercial Buildings Including Window Upgrades?

U.S. Commercial buildings account for about 20% of total U.S. energy consumption. Because the thermal performance of windows significantly affects building energy efficiency and HVAC system performance, best practice guidance often includes window and envelope improvements in conjunction with HVAC upgrades to optimize energy use and improve occupant comfort. It is an open question, however, regarding how often these best practices are implemented in the field. This paper aims to address that gap by conducting a literature review and a series of interviews with commercial building auditing and management professionals to explore the factors that drive window retrofits in commercial buildings. The paper explores a range of case studies from deep energy retrofits across the globe, comparing projects with and without window retrofits. The primary goals of this review are to: (1) provide data from real-world case studies illustrating the role of windows in deep energy renovations and HVAC upgrades, (2) conduct retrofit cost analyses for windows and high-performance HVAC systems and (3) offer insights into how window upgrade decisions are made and when they are implemented as part of deep energy retrofits. Most of the retrofit studies focused exclusively on high performance HVAC upgrades without considering how window upgrades might further enhance the overall energy efficiency of commercial buildings. Interviews with building industry experts shed light on the key factors influencing deep energy retrofit decisions and what factors tip the scales in favor of including window measures with more comprehensive retrofit projects.

Cort, Katherine

Anomalous Spin‐Optical Helical Effect in Ti‐Based Kagome Metal

The kagome lattice stands as a rich platform for hosting a wide array of correlated quantum phenomena, ranging from charge density waves and superconductivity to electron nematicity and loop current states. Direct detection of loop currents in kagome systems has remained a formidable challenge due to their intricate spatial arrangements and the weak magnetic field signatures they produce, and this has made their identification experimentally subtle. This has left their existence and underlying mechanisms a topic of intense debate. In this work, we uncover signatures compatible with loop currents: spin handedness-selective signals that surpass conventional dichroic, spin, and spin-dichroic responses. We observe this phenomenon in the kagome metal CsTi 3 ⁢Bi 5 and we call it the anomalous spin-optical helical effect. This effect arises from the coupling of light's helicity with spin-orbital electron correlations, thereby providing an indirect yet sensitive approach to probe loop-current–related electronic correlations in quantum materials. Our discovery not only enriches the debate surrounding loop currents but also offers new experimental strategies to exploit the electronic phases of quantum materials via light–matter interaction.

anomalous spin-optical helical effect