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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 595 records · Page 33

Harnessing ferro-valleytricity in pentalayer rhombohedral graphene for memory and compute

Two-dimensional materials with multiple degrees of freedom, including spin, valleys, and orbitals, open up an exciting avenue for engineering multifunctional devices. Beyond spintronics, these degrees of freedom can lead to novel quantum effects such as valley-dependent Hall effects and orbital magnetism, which could revolutionize next-generation electronics. However, achieving independent control over valley polarization and orbital magnetism has been a challenge due to the need for large electric fields. A recent breakthrough involving pentalayer rhombohedral graphene has demonstrated the ability to individually manipulate anomalous Hall signals and orbital magnetic hysteresis, forming what is known as a valley-magnetic quartet. Here, we leverage the electrically tunable ferro-valleytricity of pentalayer rhombohedral graphene to develop nonvolatile memory and in-memory computation applications. We propose an architecture for a dense, scalable, and selector-less nonvolatile memory array that harnesses the electrically tunable ferro-valleytricity. In our designed array architecture, nondestructive read and write operations are conducted by sensing the valley state through two different pairs of terminals, allowing for independent optimization of read/write peripheral circuits. The power consumption of our PRG-based array is remarkably low, with only ∼6 nW required per write operation and ∼2.3 nW per read operation per cell. This consumption is orders of magnitude lower than that of the majority of state-of-the-art cryogenic memories. Additionally, we engineer in-memory computation by implementing majority logic operations within our proposed nonvolatile memory array without modifying the peripheral circuitry. In conclusion, our framework presents a promising pathway toward achieving ultra-dense cryogenic memory and in-memory computation capabilities.

2D materials↗

Experimental Investigation of Air-Fuel Equivalence Ratio Effects on Advanced Dual-fuel Diesel/Ammonia Combustion on a Single-Cylinder Medium-Duty Diesel Engine at High Load

Ammonia (NH3) has gathered a lot of interest as a low-lifecycle-carbon fuel in sectors with high weight and distance requirements, such as shipping. The International Maritime Organization (IMO) mandates a 70-80% greenhouse gas (GHG) reduction by 2040, which is only possible with advanced engine technologies and fuels like NH3. Prior research studies at the US Department of Energy’s Oak Ridge National Laboratory have shown strong performance with NH3 under dual-fuel mode using conventional diesel combustion (CDC) manifold air pressure (MAP) settings. Diesel airflow was initially used to simplify retrofitting (no turbocharger modification), which resulted in air-fuel equivalence ratios (λ) greater than 1.5. To characterize potential improvements in dual-fuel NH3 combustion performance at richer in-cylinder conditions, a global λ sweep using a diesel pilot ignition (DPI) strategy with diesel fuel injected near top-dead center (TDC) and a reactivity-controlled compression ignition (RCCI) injection strategy with diesel fuel injected earlier during the compression stroke were compared. The experiments were conducted at 1200 RPM and 12.6 bar (75% load), and λ was varied by decreasing the commanded air flow to the engine at greater than 90% ammonia energy substitution (AES) level. A diesel injection timing sweep was conducted for both the combustion modes at fixed λ, and the timing with the lowest engine-out N2O emissions was identified. The results indicated an optimal balance between CO2, eq and thermal efficiency benefits for both DPI and RCCI injection strategy cases compared to CDC at a λ of 1.4. The indicated N-based emissions exhibited a strong correlation to the ratio of CA5–50 and ignition delay for DPI, but no apparent trend emerged for the RCCI injection strategy at the tested boundary conditions.

Tyrewala, Daanish [ORNL] (ORCID:0000000208599324)↗

Bichromatic moiré superlattices for tunable quadrupolar trions and correlated states

Moiré superlattices in transition metal dichalcogenide heterostructures provide a platform to engineer many-body interactions. Here, we realize a bichromatic moiré superlattice in an asymmetric WSe2/WS2/WSe2 heterotrilayer by combining R- and H-stacked bilayers with mismatched moiré wavelengths. This structure hosts fermionic quadrupolar moiré trions—interlayer excitons bound to an opposite-layer hole—with vanishing dipole moments. These trions arise from hybridized moiré potentials enabling multiple excitonic orbitals with tunable interlayer coupling, allowing control of excitonic and electronic ground states. We show that an out-of-plane electric field could effectively reshape moiré excitons and interlayer-intralayer electron correlations, driving a transition from interlayer to intralayer Mott states with enhanced Coulomb repulsion. The asymmetric stacking further enriches excitonic selection rules, broadening opportunities for spin-photon engineering. Our results demonstrate bichromatic moiré superlattices as a reconfigurable platform for emergent quantum states, where quadrupolar moiré trion emission may enable coherent and entangled quantum light manipulation.

Chen, Mingfeng [Washington University in St. Louis↗

Assessing Energy Infrastructure Devices for Vulnerabilities

Industrial control systems prove to be vital to the health and security of the nation in our critical infrastructure. Critical infrastructure includes the most foundational systems to support modern civilization which includes water and wastewater systems, communications, and the electricity we use to name a few sectors. However, these devices' overall composition remains largely unknown and are untested from a cyber security perspective. As part of the Cyber Testing for Resilient Industrial Control Systems (CyTRICS) program, I analyzed one such energy infrastructure device to better understand how it functions, what hardware and software components are present within it, and assess it for security vulnerabilities. To achieve this, I reverse engineered binary files using Ghidra to understand system functionality and learned more about how to collaborate with other researchers on a shared Ghidra project. I learned more about how web sockets function and how to interact with them through Python to test if they are secure or not. This work led me to assess possible vulnerabilities in this device and provide a better understanding of its composition and function, which are essential to INL's mission of securing our nation's energy infrastructure.

99 - GENERAL AND MISCELLANEOUS↗

Superhydrophobic Array Devices for the Enhanced Formation of 3D Cancer Models

During the metastatic cascade, cancer cells travel through the bloodstream as circulating tumor cells (CTCs) to a secondary site. Clustered CTCs have greater shear stress and treatment resistance, yet their biology remains poorly understood. We therefore engineered a tunable superhydrophobic array device (SHArD). The SHArD-C was applied to culture a clinically relevant model of CTC clusters. Using our device, we cultured a model of cancer cell aggregates of various sizes with immortalized cancer cell lines. These exhibited higher E-cadherin expression and are significantly more capable of surviving high fluid shear stress-related forces compared to single cells and model clusters grown using the control method, helping to explain why clustering may provide a metastatic advantage. Additionally, the SHArD-S, when compared with the AggreWell 800 method, provides a more consistent spheroid-forming device culturing reproducible sizes of spheroids for multiple cancer cell lines. Overall, we designed, fabricated, and validated an easily tunable engineered device which grows physiologically relevant three-dimensional (3D) cancer models containing tens to thousands of cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Morphology-driven oxygen evolution performance of NiO x nanostructures and implications for hole transport in perovskite solar cells

Morphology-controlled nanostructures provide an effective strategy to modulate both oxygen evolution reaction (OER) activity and photovoltaic performance in perovskite solar cells (PSCs). However, achieving low OER overpotentials and high power conversion efficiency (PCE) simultaneously through morphology engineering remains challenging. In this work, nickel oxide (NiO x ) nanostructures with spindle-like (NiO x -NS) and plate-like (NiO x -NP) morphologies were synthesized and evaluated as bi-functional OER catalysts and hole transport layers (HTLs) in inverted PSCs. Structural and thermal analyses reveal that NiO x -NS crystallizes into a cubic phase at a lower temperature (300 °C), whereas NiO x -NP requires higher calcination temperatures, reflecting differences in precursor microstructure. Electrochemical measurements indicate that NiO x -NS calcined at 300 °C delivers the lowest OER overpotential (395 mV at 10 mA cm −2 ), outperforming NiO x -NP calcined at 400 °C (565 mV) and 500 °C (474 mV). This enhanced activity is ascribed to favorable surface strain, increased defect density, and advantageous facet exposure. When used as HTLs, NiO x -NS also delivers the highest PCE (13.25%) among all tested devices, exceeding those based on NiO x -NP and commercial NiO x , owing to improved hole extraction and interfacial contact. Overall, this study highlights the importance of morphology control and thermal processing in tailoring NiO x for multifunctional nanomaterials in electrocatalytic and photovoltaic applications.

36 MATERIALS SCIENCE↗

Machine learning insights into microstructural origins of transport and mechanical properties in porous microstructures

Multifunctional porous materials are increasingly needed across various fields, but their complex microstructures create significant challenges due to the intricate microstructure-property relationships. This complexity, combined with limitations of traditional analysis methods, hinders efforts to understand and optimize microstructure–property relationships. Here, to address this, we integrate physics-based mesoscale modeling with interpretable machine learning (ML) to uncover how microstructural features govern effective diffusivity and elastic modulus. At constant porosity, we show diffusivity varies by over 150 × and modulus by ∼50 ×, highlighting the power of microstructure engineering. Statistical analysis reveals bimodal behavior in diffusivity and unimodal in modulus. ML identifies connectivity as the dominant factor, while modulus is also sensitive to domain size and feature interactions. Controlled simulations further highlight domain shape as a critical feature for modulus. This framework enables efficient exploration of microstructure-property correlations, offering new insights to guide the design of advanced porous materials.

Bicontinuous microstructure↗

Epitaxial strain tuning of Er 3+ in ferroelectric thin films

Er 3+ color centers are promising candidates for quantum science and technology due to their long electron and nuclear spin coherence times, as well as their desirable emission wavelength. By selecting host materials with suitable, controllable properties, we introduce new parameters that can be used to tailor the Er 3+ emission spectrum. PbTiO 3 is a well-studied ferroelectric material with known methods of engineering different domain configurations through epitaxial strain. By distorting the structure of Er 3+ -doped PbTiO 3 thin films, we can manipulate the crystal fields around the Er 3+ dopant. This is resolved through changes in the Er 3+ resonant fluorescence spectra, tying the optical properties of the defect directly to the domain configurations of the ferroelectic matrix. Additionally, we are able to resolve a second set of peaks for films with in-plane ferroelectric polarization. We hypothesize these results to be due to either the Er 3+ substituting different sites of the PbTiO 3 crystal, differences in charges between the Er 3+ dopant and the original substituent ion, or selection rules. Systematically studying the relationship between the Er 3+ emission and the epitaxial strain of the ferroelectric matrix lays the pathway for future optical studies of spin manipulation by altering ferroelectric order parameters.

36 MATERIALS SCIENCE↗

Mechanochemical topological defects in an active nematic

We propose a reaction-diffusion system that converts topological information of an active nematic into chemical signals. We show that a curvature-activated reaction dipole is sufficient for creating a system that dynamically senses topology by producing a concentration field possessing local extrema coinciding with ±$\frac{1}{2}$ defects. The enabling term is analogous to polarization charge density seen in dielectric materials. We demonstrate the ability of this system to identify defects in both passive and active nematics. Our results illustrate that a relatively simple feedback scheme, expressed as a system of partial differential equations, is capable of producing chemical signals in response to inherently nonlocal structures in anisotropic media. Here, we posit that such coarse-grained systems can help generate testable hypotheses for regulated processes in biological systems, such as morphogenesis, and motivate the creation of bio-inspired materials that utilize dynamic coupling between nematic structure and biochemistry.

42 ENGINEERING↗

Membrane-based Ionic Liquid Absorption System for Ultra-Efficient Dehumidification and Heating

The project team – comprising the University of Florida (UF), GTI Energy, and Modine Manufacturing – sought to develop a highly efficient heat-powered absorption cycle with combined dehumidification and heat pumping. This DOE-supported project advanced the technology from a TRL of 3 to 6, culminating in the development of a 1,000 CFM system. Key innovations implemented in the system addressed the low efficiency, size, cost, and reliability challenges of conventional absorption cycles. Specifically, the system was enabled by: (1) a semi-open cycle that allowed simultaneous dehumidification and heat recovery, (2) non-crystallizing ionic liquids (ILs) that enabled “double-effect” operation at elevated temperatures without the need for costly control equipment, (3) a compact membrane-based absorber that confined the IL and directly cooled it to achieve low dew points, and (4) a novel, highly integrated desorber–condenser assembly that reduced size, weight, and cost. The technology was developed with commercial HVAC applications in mind, particularly for separate sensible and latent cooling (SSLC), an innovation aimed at achieving independent and more efficient humidity control.

42 ENGINEERING↗

Processability and Material Behavior of NiTi Shape Memory Alloys Using Wire Laser-Directed Energy Deposition (WL-DED)

Utilizing additive manufacturing (AM) techniques with shape memory alloys (SMAs) like NiTi shows great promise for fabricating highly flexible and functionally superior 3D metallic structures. Compared to methods relying on powder feedstocks, wire-based additive manufacturing processes provide a viable alternative, addressing challenges such as chemical composition instability, material availability, higher feedstock costs, and limitations on part size while simplifying process development. This study presented a novel approach by thoroughly assessing the printability of Ni-rich Ni55.94Ti (Wt. %) SMA using the wire laser-directed energy deposition (WL-DED) technique, addressing the existing knowledge gap regarding the laser wire-feed metal additive manufacturing of NiTi alloys. For the first time, the impact of processing parameters—specifically laser power (400–1000 W) and transverse speed (300–900 mm/min)—on single-track fabrication using NiTi wires in the WL-DED process was examined. An optimal range of process parameters was determined to achieve high-quality prints with minimal defects, such as wire dripping, stubbing, and overfilling. Building upon these findings, we printed five distinct cubes, demonstrating the feasibility of producing nearly porosity-free specimens. Notably, this study investigated the effect of energy density on the printed part density, impurity pick-up, transformation temperature, and hardness of the manufactured NiTi cubes. The results from the cube study demonstrated that varying energy densities (46.66–70 J/mm3) significantly affected the quality of the deposits. Lower to intermediate energy densities achieved high relative densities (>99%) and favorable phase transformation temperatures. In contrast, higher energy densities led to instability in melt pool shape, increased porosity, and discrepancies in phase transformation temperatures. These findings highlighted the critical role of precise parameter control in achieving functional NiTi parts and offer valuable insights for advancing AM techniques in fabricating larger high-quality NiTi components. Additionally, our research highlighted important considerations for civil engineering applications, particularly in the development of seismic dampers for energy dissipation in structures, offering a promising solution for enhancing structural performance and energy management in critical infrastructure.

Dabbaghi, Hediyeh↗

Digital Safety Analysis for Small Modular Nuclear Reactors (SMRs)

The licensing process for any nuclear installation generally requires the review and approval of numerous documents by a regulatory body. Alternate approaches are needed where similar nuclear installations are planned to be built and operated at multiple sites around the world. Such is the case for the deployment of small modular nuclear reactors (SMRs) under development by multiple enterprises in multiple countries. As a use case for this paper, the authors propose an alternative to the Documented Safety Analysis (DSA) required by the United States Department of Energy (DOE) for the licensing of its nuclear installations. The DSA is a DOE construct that requires the review and approval of numerous documents. It includes an in-depth description of hazards, safe boundaries, and hazard controls.

Microreactors↗

Characterization of Impedance and Stability for Doubly-Fed Induction Generator Based on Voltage-Modulated Direct Power Control

Voltage-modulated direct power control (VM-DPC) applied to the doubly-fed induction generator (DFIG) offers superior steady-state and transient performance but remains underexplored for suppressing wideband oscillations. Here, this article proposes a comprehensive impedance for the VM-DPC-based DFIG, analyzing its impedance characteristics and stability mechanisms compared with the DFIG based on vector-oriented control (VOC). The unified power transfer function is defined for DFIGs employing VM-DPC or VOC to ensure consistent comparison benchmarks. The comprehensive impedance of VM-DPC-based DFIG, incorporating mechanical and grid-side converter (GSC) dynamics, is derived using complex vector modeling in the αβ -frame. Furthermore, the influence of VM-DPC parameters and grid strength on the stability of grid-connected DFIG systems is assessed through eigenvalue trajectory analysis. Impedance analysis reveals the significant contributions of mechanical and GSC dynamics to DFIG impedance, as well as the narrower frequency range of negative resistance in the VM-DPC-based DFIG compared to the VOC-based DFIG. Stability analysis identifies the VM-DPC parameters of the rotor-side converter as dominant factors affecting system stability and confirms that the VM-DPC-based DFIG achieves better stability under weak grid conditions than its VOC-based counterpart. These findings are validated through simulations and experiments.

42 ENGINEERING↗

Grain boundary engineering for efficient and durable electrocatalysis

Grain boundaries in noble metal catalysts have been identified as critical sites for enhancing catalytic activity in electrochemical reactions such as the oxygen reduction reaction. However, conventional methods to modify grain boundary density often alter particle size, shape, and morphology, obscuring the specific role of grain boundaries in catalytic performance. This study addresses these challenges by employing gold nanoparticle assemblies to control grain boundary density through the manipulation of nanoparticle collision frequency during synthesis. We demonstrate a direct correlation between increased grain boundary density and enhanced two-electron oxygen reduction reaction activity, achieving a significant improvement in both specific and mass activity. Additionally, the gold nanoparticle assemblies with high grain boundary density exhibit remarkable electrochemical stability, attributed to boron segregation at the grain boundaries, which prevents structural degradation. This work provides a promising strategy for optimizing the activity, selectivity, and stability of noble metal catalysts through precise grain boundary engineering.

36 MATERIALS SCIENCE↗

Numerical simulation of coupled THM behaviour of full-scale EBS in backfilled experimental gallery in the Horonobe URL

Bentonite-based engineered barrier system (EBS) is a key component of many repository designs for the geological disposal of high-level radioactive waste. Given the complexity and interaction of the phenomena affecting the barrier system, coupled thermo-hydro-mechanical (THM) numerical analyses are a potentially useful tool for a better understanding of their behaviour. In this context, a Task (the Horonobe EBS experiment) was undertaken to study, using numerical analyses, the thermo-hydro-mechanical (and thermo-hydro) interactions in bentonite based engineered barriers within the international cooperative project DECOVALEX 2023. One full-scale in-situ experiment and four laboratory experiments, largely complementary, were selected for modelling. The Horonobe EBS experiment is a temperature-controlled non-isothermal experiment combined with artificial groundwater injection. The Horonobe EBS experiment consists of the heating and cooling phases. Six research teams performed the THM or TH (depended on research team approach) numerical analyses using a variety of computer codes, formulations and constitutive laws. Finally, for each experiment, the basic features of the analyses are described and the comparison between calculations and laboratory experiments and field observations are presented and discussed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Permanent magnets for ELM suppression in tokamaks: feasibility and operational compatibility

Permanent magnets can provide static magnetic fields without power supplies or feed lines, offering a simpler alternative to conventional electromagnets in tokamaks. This work examines permanent magnet arrays (PMAs) for edge localized mode (ELM) control in double-null (DN) configurations, where traditional RMP coils exhibit limited effectiveness. Linear plasma response calculations using IPEC assess high-field-side (HFS) permanent magnet placement, benchmarking performance against DIII-D low-field-side (LFS) internal coils (I-coils) while evaluating engineering constraints. Modeling results demonstrate that HFS permanent magnet configurations generate HFS plasma response amplitudes more than 5 times larger than conventional I-coil systems. While other resonant response metrics show comparable or reduced response relative to I-coils, the combination of conventional RMP systems and permanent magnets is expected to provide enhanced performance. Operational impact assessments of persistent magnetic fields, including sideband field effects and startup/ramp-up compatibility, reveal acceptable performance within established operational boundaries. This analysis establishes PMAs as a technically viable approach for DN ELM control with reductions in system complexity, motivating further experimental validation on existing tokamak facilities.

3D magnetic perturbation↗

Rapid T cell engineering to counter emerging threats

There is a critical need for new approaches to effectively counter emerging pathogens, especially those which do not respond to antibodies or antibiotics. T cells represent an essential element of native immune response in many of the deadliest pathogens: controlling T cell reactivity and behavior would allow for countermeasures for currently untreatable diseases from cancer to coronaviruses, especially if using a patient’s own T cells (autologous) where no host rejection will occur. However, current methods for modifying T cells, e.g., FDA-approved chimeric antigen receptor T cell (CAR) approaches, require genetic manipulation and expansion which can take weeks to generate.

59 BASIC BIOLOGICAL SCIENCES↗

Quantum Fourier Transform with Leakage Control

In circuit QED (cQED) systems, one can manipulate the cavity Fock states to use quantum processing unit (QPU). Since the coherence times of the Fock states are long, qudit based computation can be possible. One of the most basic gate that can be engineered in this cQED platform is the displacement gate, $D(\alpha)$. However, accessible number of qudit-levels is finite. The truncated displacement gate on the qudit is the source of theoretical error above the logical states and needs to be addressed. In this work, we monitor and minimize the leakage in qudit systems that involves displacement gate by introducing so-called `bumper' states and a modified cost function.

Kurkcuoglu, D. [Fermilab] (ORCID:0000000311097074)↗