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DOE OSTI2025

Relationship between microporous structure and light gas transport through glassy polymeric membranes revealed by molecular simulations

Microporous glassy polymers are attractive materials for gas separation membranes, due to their high permeability and tailorable selectivity, provided physical aging can be delayed. The archetypal microporous glassy polymer, PTMSP, can be blended with a hyper-crosslinked isatin–triptycene porous polymer network (PPN) to delay physical aging. However, while PPN is effective at reducing physical aging, it also affects the permeability of light gases through PTMSP. Molecular dynamics simulations were used here to shed fundamental light on the mechanisms responsible for these effects. Atomistic models are developed that satisfactorily reproduce experimental observations such as matrix density and cavity size distributions for neat PTMSP as well as for PTMSP–PPN blends. Analysis of the simulation results suggests that physical aging is delayed because the PPN inclusions slow down PTMSP relaxation while reducing the connectivity between free volume pockets. To understand how PPN inclusions affect light gas permeability, the atomistic models developed are used to probe CO 2 and CH 4 diffusion and sorption. These simulations are conducted for PTMSP matrices exhibiting varying density, towards reproducing experimental permeability data. Interrogating the simulation trajectories, it is discovered that while CH 4 travels preferentially through the free volume cavities, CO 2 preferentially interacts with the available surfaces, especially in the presence of PPN. These differences help interpret experimental observations. The transport of C 2 H 6 and H 2 S through PTMSP matrices was also investigated. These gases, and in particular H 2 S, were found to absorb within PTMSP, yielding very low diffusion coefficients. The ability to predict differences in diffusion pathways for various natural gas components unveils the possibility of engineering membranes to control permeability and selectivity towards large-scale applications.

Bao Le, Tran Thi [Univ. of Oklahoma, Norman, OK (U↗

DOE OSTI2025

Dynamical Generation of Higher-Order Spin-Orbit Coupling, Topology, and Persistent Spin Texture in Light-Irradiated Altermagnets

Altermagnets have been identified as the third category of magnetic materials, exhibiting momentum-dependent spin splitting characterized by even powers of momentum. Here, in this Letter, we show that when subjected to elliptically polarized light, these materials serve as an exemplary framework for the dynamic generation of topological bands featuring higher-order spin-orbit coupling (SOC). Notably, while the generated Zeeman field remains invariant to the particular altermagnetic ordering, the induced higher-order SOCs are related to the magnitude and symmetry of the altermagnetic order. Specifically, we show that an altermagnet exhibiting 𝐤 2⁢𝑛 -spin splitting can generate odd-in-𝐤 spin-orbit couplings up to 𝐤 2⁢𝑛−1 . In the limit of circularly polarized light, the only correction is 𝑘 2⁢𝑛−1 , with all lower-order contributions being nullified. Interestingly, light-induced SOCs significantly impact the low-energy band topology, where their Chern numbers change by Δ⁢𝐶 = ±1, 2, 3 for 𝑑, 𝑔, 𝑖-wave altermagnets. Finally, we find a critical field in which a persistent spin texture is realized, a highly desirable state with predicted infinite spin lifetime. Our Letter showcases light as a powerful, controllable tool for engineering complex and exciting phenomena in altermagnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Overview and Status of the Long-Baseline Neutrino Facility Far Detectors Cryogenics System

The Sanford Underground Research Facility (SURF) will host the Far Detectors of the Deep Underground Neutrino Experiment (DUNE), an international multi-kiloton Long-Baseline neutrino experiment that will be installed about a mile underground in Lead, SD. Detectors will be located inside four cryostats filled with almost 70,000 metric tons of ultrapure liquid argon, with a level of impurities lower than 100 parts per trillion of oxygen equivalent. The cryogenics infrastructure supporting this experiment is provided by the Long- Baseline Neutrino Facility (LBNF). This contribution presents modes of operation, layout and main features of the LBNF Far Detectors cryogenics system, which is composed of the following subsystems: argon receiving facilities, nitrogen system, argon distribution system, argon purification and regeneration systems, argon circulation system, argon condensers system, internal cryogenics, miscellaneous items, and process controls. An international engin eering tea m is designing these systems and will manufacture, install, test, commission, and qualify them. This contribution describes the main features, performance, functional requirements, and modes of operation of the LBNF Far Detectors cryogenics system. It also presents the status of the design, along with present and future needs to support the DUNE experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Development of prechamber enabled mixing-controlled combustion strategy for ultra-low methane emissions from lean burn natural gas engines

This numerical study explores the optimization of Prechamber Enabled Mixing-Controlled Combustion (PC-MCC) using natural gas in heavy-duty engines, aiming to enhance combustion efficiency to minimize methane slip and NOx emissions. The approach involves a prechamber ignition system, distinct from conventional spark ignition (SI) systems, to initiate combustion of direct injected natural gas. By leveraging the robust ignition characteristics of the prechamber, the PC-MCC method demonstrates significant potential in achieving efficient combustion akin to diesel engines but with lower greenhouse gas emissions. The research evaluates the effects of various geometric and operational parameters on the combustion process and emissions, including prechamber volume, nozzle diameter, direct injector (DI) geometry, and engine operating strategies. Computational Fluid Dynamics (CFD) simulations are utilized, focusing on a heavy-duty, single-cylinder engine modeled after the Caterpillar C9.3B engine. Key findings indicate that a prechamber volume of 3 cc, coupled with a nozzle diameter of 2.75 mm for two prechamber holes, strikes an optimal balance between combustion efficiency and emissions reduction. This configuration ensures robust combustion across a range of operating conditions while maintaining methane slip within targeted limits. Further investigation into DI geometry shows the significance of the injector umbrella angle and nozzle diameter in shaping the fuel-air mixing and combustion dynamics. An umbrella angle of 130° and a nozzle diameter of 300 microns are identified as optimal, promoting rapid and efficient combustion with minimized methane and NOx emissions. The study also investigates the impact of injection timing and pressure, highlighting their roles in controlling combustion timing and influencing emissions levels. Advanced injection timing is found to be crucial in achieving the desired low methane slip, whereas retarded injection timing assists to reduce NOx emissions while having a slight increase in methane emissions. Operating strategies incorporating various levels of Exhaust Gas Recirculation (EGR) are assessed for their effectiveness in further reducing emissions. The research demonstrates that a judicious combination of internal hot EGR and careful calibration of DI pressure and SOI timing can achieve significant reductions in NOx emissions while keeping methane slip under control. Specifically, an internal EGR level of 15%–25%, combined with DI pressures of 200–300 bar and injection timings at or after top dead center, is recommended. These findings contribute valuable insights into the development of advanced combustion techniques for natural gas engines, offering a viable pathway to reduce methane slip without compromising engine efficiency or performance. The PC-MCC system presents a promising solution for the future of heavy-duty natural gas engine technology to reduce methane emissions.

Nsaif, Osama↗

DOE OSTI2026

Quantum Zeno Control of Superconducting Qubit Coherence

The Quantum Zeno Effect (QZE) dictates how the dynamics of a quantum system can be modified through continuous or discrete measurements [1]. It has gained increasing attention in quantum computing community in recent years, both due to its inevitable implications for qubit readout as well as for its promise for enabling new methods of quantum state control such as reservoir engineering and Zeno-dragging. Here, we investigate Zeno effects implemented via weak measurements for controlling superconducting-qubit coherence during gate and readout operations in a multi-qubit setup. Building on prior observations [2] that measurement backaction can both suppress and enhance qubit relaxation, we predict and measure QZE-altered qubit coherence times by manipulating the spectral overlap of qubit spectrum with background noise sources. We also discuss modifications and opportunities for controllable QZE due to anharmonic effects in multi-level superconducting atoms. [1] S. Greenfield, A. Kamal, J. Dressel, E. Levenson-Falk, arXiv:2506.12679 (2025) [2] Thorbeck, Z. Xiao, L. Govia, A. Kamal, Phys. Rev. Lett. 132, 090602 (2024)

Seidel, Olivia [Texas U., Arlington; Fermilab]↗

DOE OSTI2025

Control and synchronization of rapid nanoscale DNA heat engine by local heating

To further activate devices based on DNA nanotechnology, we introduce an approach that notably enhances both the speed and force of DNA powered machines and artificial hinge machine. A microheater, with millisecond response, heats or recools DNA origami constructs, hybridizing or dehybridizing sticky ends. Because anything within 20 micrometers of the heater equilibrates to a programmed temperature change in milliseconds, sticky ends of a compound DNA origami machine can open and close synchronously and operate cooperatively, in phase, additively increasing the drive force compared to single pair of sticky ends DNA machine (the six-helix bundle DNA origami hinge machine). In our demonstrations, we fold and unfold two square origami with 10 pairs of complementary sticky ends to drive a bead on the end of a rod like origami to speeds exceeding 30 micrometers per second. Our device envisions the creation of complex, synchronized DNA machines.

Science & Technology - Other Topics↗

DOE OSTI2025

Rational Modulation of Plant Root Development Using Engineered Cytokinin Regulators

Achieving precise control over quantitative developmental phenotypes is a key objective in plant biology. Recent advances in synthetic biology have enabled tools to reprogram entire developmental pathways; however, the complexity of designing synthetic genetic programs and the inherent interactions between various signaling processes remains a critical challenge. Here, we leverage Type-B response regulators to modulate the expression of genes involved in cytokinin-dependent growth and development processes. We rationally engineered these regulators to modulate their transcriptional activity (i.e., repression or activation) and potency while reducing their sensitivity to cytokinin. By localizing the expression of these engineered transcription factors using tissue-specific promoters, we can predictably tune cytokinin-regulated traits. As a proof of principle, we deployed this synthetic system in Arabidopsis thaliana to either decrease or increase the number of lateral roots. The simplicity and modularity of our approach makes it an ideal system for controlling other developmental phenotypes of agronomic interest in plants.

Cell signaling↗

DOE OSTI2025

Co-optimization of fuel properties, combustion system geometry, and injection strategy for conventional diesel fuel

Here, studies have shown that fuel properties can impact an engine’s operation in several ways, including ignition delay, sooting tendency, mixture formation, and combustion temperature. In mixing-controlled compression ignition (MCCI) engines, the fuel system design and piston bowl geometry significantly affect combustion performance and emissions. Based on current information, it is difficult to draw conclusions about fuel property effects and sensitivities. The central fuel hypothesis approach used in the US Department of Energy Co-Optima program has worked well for spark ignition fuels: identifying critical fuel property ranges is sufficient to screen fuel blends that are expected to maximize efficiency and reduce pollutant emissions. However, for MCCI-relevant fuels, the information gained from past studies is not sufficient to build such a merit function or to allow for performing a similar screening of fuel blends. It is hypothesized that a co-optimization of a fuel’s physical and chemical properties, combustion system geometry, and injection strategy could leverage synergies between the effects of the fuel properties and geometries, resulting in improved performance over state-of-the-art. A machine learning–assisted unconstrained global optimization algorithm was used to explore a design space comprising 23 independent variables. The results show that physical property effects were minimal even for large variations in fuel properties, and the only interaction effect that was observed was the effect of varied fuel density parameters on fuel/air mixture formation. Nevertheless, these interactions were not sufficient in magnitude to significantly affect optimization results. Therefore, analysis of the results suggests that fuel physical properties cannot be leveraged in a co-optimization context to increase engine efficiency.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2026

Prime Time for Model-Predictive Control? Assessing the Technical and Market Readiness of Advanced Controls in Buildings

Despite three decades of extensive research and field testing that have consistently validated the benefits of Model Predictive Control (MPC) in building applications, the technology has seen limited market adoption. This paper evaluates the readiness of MPC for widespread deployment, showcases recent demonstrations and field tests across diverse building types, including residential, small commercial, large commercial, and campus settings. Our results demonstrate that MPC can optimize system operations to achieve load shifting, minimize curtailment of on-site generation, and reduce energy costs by up to 80 %, while maintaining or improving occupant comfort. We also show that MPC can effectively control large assets, such as MW-sized thermal storage systems, and respond to dynamic pricing signals. However, achieving scale remains difficult due to labor-intensive workflows, reliance on a “PhD-in-the-loop” for MPC design and maintenance, susceptibility to fragile data infrastructure, and persistent workforce education and acceptance barriers. To bridge this gap, we outline a transition from bespoke, labor intensive prototypes toward streamlined, segment-targeted deployment strategies that leverage model templates, semantic tools, and generative AI. By automating control configuration and reducing engineering effort, these recommendations provide a pathway for transforming successful research demonstrations into scalable, market ready solutions for MPC-based controls.

Pritoni, Marco↗

DOE OSTI2025

Topology-Dependent Polymer Stretching and Scission in Solution at Extreme Shear Rates

There has been significant interest in the engineering of polymer topology to control rheology and mechanical stability in dilute solutions for applications involving extreme shear rate flows. However, methods to experimentally probe properties at relevant shear rates (≈ 10 4 –10 6 s –1 ) have remained ex situ, obscuring access to measures of polymer deformation and rheology that would otherwise provide mechanistic insight into the topology-dependent properties that control their behavior in extreme shear flows. In this study, we used novel in situ small angle neutron scattering measurements in a capillary rheometer (capillary rheo-SANS) to simultaneously measure solution viscosities and polymer deformations in high shear on a series of chemically homologous topology-defined polymers including linear, randomly branched, and star-shaped molecules. We demonstrate that differences in the onset of chain stretching and shear thinning of these polymers in dilute solution are controlled primarily by differences in their molecular relaxation time. These differences correlate with differences in chain scission inferred from ex situ measurements at more extreme shear rates. Together, the results demonstrate a direct coupling between chain deformation and scission, and suggest that the dominant effect of branching as a means to impart resilience against mechanical degradation is through differences in relaxation dynamics due to branching. We anticipate that these results will provide key insights to engineer topology-controlled polymers for rheological modification, mechanical stability, and controlled mechano-chemistry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Entanglement engineering of optomechanical systems by reinforcement learning

Entanglement is fundamental to quantum information science and technology, yet controlling and manipulating entanglement—so-called entanglement engineering—for arbitrary quantum systems remains a formidable challenge. There are two difficulties: the fragility of quantum entanglement and its experimental characterization. We develop a model-free deep reinforcement-learning (RL) approach to entanglement engineering, in which feedback control together with weak continuous measurement and partial state observation is exploited to generate and maintain desired entanglement. We employ quantum optomechanical systems with linear or nonlinear photon–phonon interactions to demonstrate the workings of our machine-learning-based entanglement engineering protocol. In particular, the RL agent sequentially interacts with one or multiple parallel quantum optomechanical environments, collects trajectories, and updates the policy to maximize the accumulated reward to create and stabilize quantum entanglement over an arbitrary amount of time. The machine-learning-based model-free control principle is applicable to the entanglement engineering of experimental quantum systems in general.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Rapid curing dynamics of PEG-thiol-ene resins allow facile 3D bioprinting and in-air cell-laden microgel fabrication

Thiol-norbornene photoclick hydrogels are highly efficient in tissue engineering applications due to their fast gelation, cytocompatibility, and tunability. In this work, we utilized the advantageous features of polyethylene glycol (PEG)-thiol-ene resins to enable fabrication of complex and heterogeneous tissue scaffolds using 3D bioprinting and in-air drop encapsulation techniques. We demonstrated that photoclickable PEG-thiol-ene resins could be tuned by varying the ratio of PEG-dithiol to PEG norbornene to generate a wide range of mechanical stiffness (0.5–12 kPa) and swelling ratios. Importantly, all formulations maintained a constant, rapid gelation time (<0.5 s). We used this resin in biological projection microstereolithography (BioPµSL) to print complex structures with geometric fidelity and demonstrated biocompatibility by printing cell-laden microgrids. Moreover, the rapid gelling kinetics of this resin permitted high-throughput fabrication of tunable, cell-laden microgels in air using a biological in-air drop encapsulation apparatus (BioIDEA). We demonstrated that these microgels could support cell viability and be assembled into a gradient structure. This PEG-thiol-ene resin, along with BioPµSL and BioIDEA technology, will allow rapid fabrication of complex and heterogeneous tissues that mimic native tissues with cellular and mechanical gradients. The engineered tissue scaffolds with a controlled microscale porosity could be utilized in applications including gradient tissue engineering, biosensing, and in vitro tissue models.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Attempting to Develop the World’s Most Cost-Effective Metal 3D Printing Technology Through Industrial Adoption of a High-Temperature Electro-Magnetic Nozzle for 3D Printing and Computer Numerical Control Integration

This project aimed to make a practical system capable of sustained metal deposition in air engineered with industrial integration and controls. The Al-Ce wire feedstock was tailored with appropriate deposition and solidification properties for direct reactive interface printing (DRIP), and the goal was to integrate onto a Hybrid Manufacturing Technologies system for producing test parts without a controlled environment.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Attempting to Develop the World’s Most Cost-Effective Metal 3D Printing Technology Through Industrial Adoption of a High-Temperature Electro-Magnetic Nozzle for 3D Printing and Computer Numerical Control Integration

36 MATERIALS SCIENCE↗

DOE OSTI2026

Flexible Natural Gas/Hydrogen CHP System

This project included design, development, and demonstration of a cost-effective and scalable, unique-to-the-industry 2.0 MWe fuel-flexible Caterpillar G3516 CHP genset that can run on 100% hydrogen, 100% natural gas, and up to 25% blends of hydrogen in natural gas (volume basis). This was accomplished based on over two years of extensive R&D work done on a single-cylinder engine for developing innovative hydrogen fueling, combustion, air, and electronic control systems design and strategies. Findings from the single-cylinder engine work were scaled up and applied for modifications of and lab testing and development of a 2.0 MWe 16-cylinder G3516 fuel-flexible engine-genset and electronic controls systems. During this testing and development in the engine lab, the genset was run on 100% hydrogen, 100% natural gas, and up to 25% blends of hydrogen in natural gas (volume basis) and its steady-state and transient performance and emission were documented.

03 NATURAL GAS↗

DOE OSTI2025

Experimental study of airpath electrification in an opposed-piston two stroke (OP2S) engine architecture

The opposed-piston two stroke (OP2S) engine shows potential as an alternative engine architecture to the conventional four stroke engine due to its high-power density, thermal efficiency, and versatile airpath management system. Since the pistons of a two-stroke engine do not pump the air into and out of the cylinder like in a four-stroke engine, the selection of the air induction devices and airpath actuators becomes critical to optimize engine performance. Both the pumping losses and the in-cylinder combustion process can be affected by the scavenging process in a two-stroke engine. Therefore, this study compares two different airpath configurations for the same family of OP2S engines and investigates performance metrics like scavenging control, pumping work, net indicated and brake efficiencies, and engine-out emissions associated with each airpath. Data was collected on a 3.2 L, two-cylinder OP2S engine with an electrically assisted turbocharger (EAT) and a 4.9 L displacement, three-cylinder engine with a variable geometry turbocharger (VGT) and a supercharger. The experiments consisted of speed and load sweeps for both engines at the same operating conditions to compare scavenge control in both architectures. For the three-cylinder layout, the SE sweep range was much higher, and the intake pressure could be independently varied with air flowrate, thus providing more flexibility for scavenging control. The supercharger and the VGT usage was optimized based on its efficiency map and thus, this layout had lower pumping losses compared to the EAT. The two-cylinder engine had a higher overall SE as compared to the three-cylinder engine, but the intake pressure and air flowrate could not be decoupled, leading to over scavenging and increased short circuiting of fresh charge into the exhaust.

Bhatt, Ankur [Clemson University, Clemson, SC, USA↗

DOE OSTI2024

Engineering collinear magnetization in hexagonal LuFeO 3 and magnetoelectric control of skyrmions in hexagonal 2D epilayers

Cubic, perovskite-structure ABO 3- and A 1–x A’ x BO 3 -type oxides have been investigated extensively while their hexagonal structure versions have not, even though they are multiferroic and can form heterostructures with hexagonal 2D materials. In particular, multiferroic 2D epilayers may lead to strong magnetoelectric coupling. Hexagonal RFeO 3 ferrites, where R is a rare-earth element (Lu, Yb, etc.), are excellent candidates, but their ferromagnetism isweak. In this paper, we employ density-functional-theory (DFT) calculations and first show that heavy electron doping of hexagonal LuFeO 3 (h-LFO), namely Lu 1–x Hf x FeO 3 (h-LHFO), leads to spin-disproportionation of the Fe sublattices and, especially for x = 1/2 and 2/3, to robust, room-temperature, out-of-plane, collinear ferrimagnetism that is stabilized by a Jahn-Teller metal-to-insulator transition. We then show that h-LHFO/h-2D heterostructures, where h-2D is the FE/ FM monolayer MnSTe, stabilize skyrmions without an external magnetic field and control their chirality by an external electric field through the h-LHFO polarization, opening up a new realm for magnetoelectric applications.

36 MATERIALS SCIENCE↗

DOE OSTI2026

2024 International Conference on Microbiome Engineering (ICME)

The 2024 International Conference on Microbiome Engineering (ICME) took place November 12-14 at Tufts University in Medford, MA. ICME connects experts from academia and industry to share the most recent developments in the field of microbiome engineering. This includes genetically engineered organisms that function within microbiomes, control of microbiomes through environmental/nutrient modifications, and inference of engineering principles from analysis of synthetic and natural microbiomes. The conference is unique and distinct from other microbiome conferences in that it specifically highlights the integration of engineering design principles with microbiome research (others are more focused on basic biological principles). The conference thus integrates synthetic biology, systems biology, microbial ecology, and bioinformatics across a range of application spaces from the environment to manufacturing, food, and human health. This project utilized support from the Department of Energy’s (DOE) Office of Biological and Environmental Research (BER) to help trainees and early career faculty attend ICME.

60 APPLIED LIFE SCIENCES↗