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DOE OSTI2026

Highly Responsive Near-Infrared Photodetector Based on Contactless PdSe 2 Integration with a Few-Layered MoSe 2 Field-Effect Transistor

Two-dimensional (2D) semiconductors with narrow bandgaps are promising candidates for near- and far-infrared (IR) photodetection, particularly in the telecommunication spectral window. However, current low-bandgap IR photodetectors face significant challenges due to their high dark current, increased carrier recombination, and thermally generated noise. Here, in this work, a hybrid phototransistor is demonstrated by integrating direct, contact-free palladium diselenide (PdSe 2 ) as a highly responsive IR detection layer with a non-IR-absorbing molybdenum diselenide (MoSe 2 ) field-effect transistor (FET), using a near-IR source at a wavelength of λ = 1650 nm. Exfoliated PdSe 2 flakes integrated into a back-gated FET architecture exhibit ambipolar transport behavior, with extracted hole and electron mobilities of 24.8 cm 2 V –1 s –1 and 58.4 cm 2 V –1 s –1 , respectively. The devices show a clear photocurrent generation under the illumination of a λ = 1650 nm laser source, achieving a notable responsivity of ∼300 mA W -1 at an applied gate voltage of 15 V, which highlights the suitability of PdSe 2 as a narrow-bandgap material for photodetection. Photoresponsivity saturates and does not have any effect above an applied gate voltage of 15 V. To further tune the photoresponsivity performance continuously with the applied gate voltage, we construct a van der Waals heterostructure phototransistor, where few layers of PdSe 2 are directly transferred onto the 2D channel region of a MoSe 2 FET, while avoiding any contact with the metal electrodes. In this heterostructure, PdSe 2 works as the primary active IR-absorbing layer, while MoSe 2 provides high-performance FET characteristics. This spatial separation of absorption and transport facilitates efficient interlayer charge transfer and charge separation, resulting in high responsivities of up to 972 mA W –1 at near-IR wavelengths and a low power density of 1.5 mW/mm 2 . The responsivity of our photodetector is comparable to that of some state-of-the-art commercially available NIR photodetectors, highlighting the potential of PdSe 2 -based heterostructures as scalable, CMOS-compatible platforms for high-performance near-IR detection.

Infrared (IR) photodetectors↗

DOE OSTI2025

Discovering Ni/Cu Single-Atom Alloy as a Highly Active and Selective Catalyst for Direct Methane Conversion to Ethylene: A First-Principles Kinetic Study

Direct methane conversion to liquid fuels or value-added chemicals is a promising technology to utilize natural resources without resorting to further petroleum extraction. However, discovering efficient catalysts for this reaction is challenging due to either coke formation or unfavorable C-H bond activation. Herein, we design single-atom alloy (SAA) catalysts to simultaneously eliminate the above two bottlenecks based on mechanism-guided strategies: (1) the active single atom enables favorable C-H bond breaking and (2) the less reactive host metal facilitates C-C coupling and thus avoids strong binding of carbonaceous species. Employing electronic structure theory calculations, we screened the stability of multiple SAAs with 3d-5d transition metals atomically dispersed on a copper surface in terms of avoiding dopant aggregation and segregation. We then evaluated reactivities of the stable SAAs as catalysts for direct methane conversion to C2 products, including methane dehydrogenation and C-C coupling mechanisms. Combining selectivity analysis with kinetic modeling, we predicted that nickel dispersed on copper, i.e., Ni/Cu SAA, is a highly active and selective catalyst that can efficiently transform methane to ethylene. This work designs efficient SAA catalysts for direct methane activation and provides chemical insights into engineering compositions of SAAs to tune their catalytic performances.

Kothakonda, Manish↗

DOE OSTI2025

Room-temperature multiferroicity in sliding van der Waals semiconductors with sub-0.3 V switching

The search for van der Waals (vdW) multiferroic materials has been challenging but also holds great potential for the next-generation multifunctional nanoelectronics. The group-IV monochalcogenide, with an anisotropic puckered structure and an intrinsic in-plane polarization at room temperature, manifests itself as a promising candidate with coupled ferroelectric and ferroelastic order as the basis for multiferroic behavior. Unlike the intrinsic centrosymmetric AB stacking, we demonstrate a multiferroic phase of tin selenide (SnSe), where the inversion symmetry breaking is maintained in AA-stacked multilayers over a wide range of thicknesses. We observe that an interlayer-sliding-induced out-of-plane (OOP) ferroelectric polarization couples with the in-plane (IP) one, making it possible to control out-of-plane polarization via in-plane electric field and vice versa. Notably, thickness scaling yields a sub-0.3 V ferroelectric switching, which promises future low-power-consumption applications. Furthermore, coexisting armchair- and zigzag-like structural domains are imaged under electron microscopy, providing experimental evidence for the degenerate ferroelastic ground states theoretically predicted. Non-centrosymmetric SnSe, as the first layered multiferroic at room temperature, provides a novel platform not only to explore the interactions between elementary excitations with controlled symmetries, but also to efficiently tune the device performance via external electric and mechanical stress.

Chen, Rui [University of California, Berkeley, CA ↗

DOE OSTI2024

Dual-phase superconductivity in high-pressure high-temperature synthesized TaNbZrHfTi

We report on a novel TaNbZrHfTi-based high entropy alloy (HEA) which demonstrates distinctive dual-phase superconductivity. The HEA was synthesized under high pressures and high temperatures starting from a ball milled mixture of elemental metals in a large-volume Paris–Edinburgh cell with P ≈ 6 GPa and T = 2300 K. The synthesized HEA is a phase mixture of BCC (NbTa)0.45(ZrHfTi)0.55 with Tc1 = 6 K and FCC (NbTa)0.04(ZrHfTi)0.96 with Tc2 = 3.75 K. The measured magnetic field parameters for the HEA are lower critical field, Hc1(0) = 31 mT, and a relatively high upper critical field, Hc2(0) = 4.92 T. This dual-phase system is further characterized by the presence of a second magnetization peak, or the fishtail effect, observed in the virgin magnetization curves. This phenomenon, which does not distort the field-dependent magnetization hysteresis loops, suggests intricate pinning mechanisms that could be potentially tuned for optimized performance. The manifestation of these unique features in HEA superconductivity reinforces phase-dependent superconductivity and opens new avenues in the exploration of novel superconducting materials.

Materials Science↗

DOE OSTI2025

Hard-photon-triggered jets in 𝑝−𝑝 and 𝐴−𝐴 collisions

An investigation of high-transverse-momentum (high-𝑝 𝑇 ) photon-triggered jets in proton-proton (𝑝−𝑝) and ion-ion (𝐴−𝐴) collisions at $\sqrt{s_{NN}}$=0.2 and 5.02TeV is carried out, using the multistage description of in-medium jet evolution. Monte Carlo simulations of hard scattering and energy loss in heavy-ion collisions are performed using parameters tuned in a previous study of the nuclear modification factor (𝑅 𝐴⁢𝐴 ) for inclusive jets and high-𝑝𝑇 hadrons. We obtain a good reproduction of the experimental data for photon-triggered jet 𝑅 𝐴⁢𝐴 , as measured by the ATLAS detector, the distribution of the ratio of jet to photon 𝑝 𝑇 (𝑋 𝐽⁢𝛾 ), measured by both CMS and ATLAS, and the photon-jet azimuthal correlation as measured by CMS. We obtain a moderate description of the photon-triggered jet 𝐼 𝐴⁢𝐴 , as measured by STAR. A noticeable improvement in the comparison is observed when one goes beyond prompt photons and includes bremsstrahlung and decay photons, revealing their significance in certain kinematic regions, particularly at 𝑋 𝐽⁢𝛾 >1. Moreover, azimuthal angle correlations demonstrate a notable impact of bremsstrahlung photons on the distribution, emphasizing their role in accurately describing experimental results. This work highlights the success of the multistage model of jet modification to straightforwardly predict (this set of) photon-triggered jet observables. This comparison, along with the role played by bremsstrahlung photons, has important consequences on the inclusion of such observables in a future Bayesian analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Design Principles for Resonant Wave Energy Converters: Benchmarking Power Capture and Flow

Control co-design (CCD) in Wave Energy Converters (WECs) integrates the controller, power take-off (PTO), and buoy models during system design to optimize power output. Using the bi-conjugate impedance matching principle, this study models the PTO as a two-port network, revealing impedance matching conditions at the input and output ports as a function of the buoy, PTO, and controller. Here, this study examines the pairing of a flywheel-type pitch resonator PTO within a given buoy constrained by limited space and ballast capacity. The results show that physical constraints imposed by the buoy affect PTO performance. While controller tuning achieves optimal output impedance matching and flywheel inertia is maximized within the buoy's limitations, the PTO's input impedance remains smaller than the complex conjugate of the buoy's intrinsic impedance. This mismatch limits the PTO's ability to generate sufficient reaction torque, particularly outside the resonance frequency, resulting in narrow-band power transfer. The findings emphasize the need for PTO design modifications to improve input power transfer. Pendulum-based PTO mechanisms are proposed as alternatives to couple with multiple buoy motion modes and improve wave-to-wire efficiency while respecting system constraints.

Control Co-Design↗

DOE OSTI2025

Energy filtering–induced ultrahigh thermoelectric power factors in Ni 3 Ge

Traditional thermoelectric materials rely on low thermal conductivity to enhance their efficiency but suffer from inherently limited power factors. Innovative pathways to optimize electronic transport are thus crucial. Here, we achieve ultrahigh power factors in Ni 3 Ge-based systems through an unconventional thermoelectric materials design principle. When overlapping flat and dispersive bands are engineered to the Fermi level, charge carriers can undergo intense interband scattering, yielding an energy filtering effect similar to what has long been predicted in certain nanostructured materials. Via a multistep DFT-based screening method developed here, we find a family of L1 2 -ordered binary compounds with ultrahigh power factors up to 11 mW m −1 K −2 near room temperature, which are driven by an intrinsic phonon-mediated energy filtering mechanism. Our comprehensive experimental and theoretical study of these intriguing materials paves the way for understanding and designing high-performance scattering-tuned metallic thermoelectrics.

Science & Technology - Other Topics↗

DOE OSTI2026

SAM Code Enhancements for Fission Product Tracking of Noble Gases and Metals in MSRs

This report documents fiscal year 2026 enhancements to the System Analysis Module (SAM) for modeling fission product transport in liquid-fueled molten salt reactors (MSRs). The work advances three principal areas: noble gas transport, noble metal deposition, and user interface improvements. The noble gas transport capability integrates drift-flux gas transport, Henry’s law two-film interphase mass transfer with pressure-based nucleation suppression, Knudsen-regime pore diffusion into porous graphite with a conjugate salt-graphite interface constraint, built-in material properties, five Sherwood-number mass transfer correlations including three derived from high-fidelity NekRS simulations, and xenon-135 reactivity feedback through SAM’s point-kinetics model. This work also presents a comprehensive verification test suite, including new analytically verified cases for pressure-dependent onset of interphase gas transfer in a stagnant vertical pipe, a postulated FLiBe-graphite Xe extraction permeator, a gravity riser with a fission-product source, and a descending pipe with gas redissolution driven by hydrostatic pressure. A machine learning framework for bubble rise velocity prediction in molten salt systems is developed and benchmarked on molten-salt and diverse aqueous bubble datasets. The best-performing fine-tuned transfer-learning networks achieve an 82% reduction in RMSE relative to the Clift correlation, and is implemented directly in SAM. The noble metal transport capability is developed, including a liquid-wall deposition model and a gas-surface flotation mechanism that transfers insoluble particles entrained by sparging gas to wetted structures. Verification tests and demonstration cases cover the surface deposition, flotation efflux, and flotation shedding. Finally, a new [SpeciesTransport] input structure replaces positional global vectors with selfcontained, order-independent, named species blocks, simplifies the specification of multiphase species and decay chains, and remains fully compatible with existing SAM input files. Together, these developments improve the physical fidelity, verification basis, and usability of SAM for system-level analyses of fissionproduct behavior in MSRs.

Mui, Travis (ORCID:0000000303736470)↗

NASA NTRS1979

Preliminary design and development of a reflectance spectrometer instrument

An improved design for the reflectance spectrometer is described to be used on various terrestrial body missions. These improvements were made on the original Lunar Polar Orbiter design. These include a larger entrance mirror, rectangular aperture, multiple optical beams, spatial resolution, and a bandwidth extension to 5 microns. In addition, detailed electronic designs were produced for a charge amplifier and an amplifier/demodulator/integrator. Design of a microprocessor driven test system was begun. Laboratory tests were performed on a tuning fork chopper.

Mccord, T. B.↗

NASA NTRS1992

Active magnetic bearings: As applied to centrifugal pumps

Application of magnetic bearings to boiler feed pumps presents various attractive features, such as longer bearing life, lower maintenance costs, and improved operability through control of the rotordynamics. Magnetic bearings were fitted to an eight-stage, 600 hp boiler feed pump, which generates 2600 ft of heat at 680 gpm and 3560 rpm. In addition to the varied and severe operating environment in steady state operation of this pump in a power plant, it is also subjected to transient loads during frequent starts and stops. These loads can now be measured by the in-built instrumentation of the magnetic bearings. Following site installation, a follow-up bearing tune-up was performed, and pump transient response testing was conducted. The bearing response was completely satisfactory, ensuring trouble-free pump operation even in the range of reduced load. The experience gained so far through design and testing proves feasibility of magnetic bearings for boiler feed pumps, which sets the stage for application of even higher energy centrifugal pumps equipped with magnetic bearings.

Lev Nelik↗

NASA NTRS1992

IRAF and STSDAS under the new ALPHA architecture

Digital's next generation RISC architecture, known as ALPHA, presents many IRAF system portability questions and challenges to both site managers and end users. DEC promises to support the ULTRIX, VMS, and OSF/1 operating systems, which should allow IRAF to be ported to the new architecture at either the program executable level (using VEST), or at the source level, where IRAF can be tuned for greater performance. These notes highlight some of the details of porting IRAF to OpenVMS on the ALPHA architecture.

Zarate, N. R.↗

NASA NTRS2001

Advanced Technology Development for Active Acoustic Liners

Objectives include: (1) Develop electro-mechanical/acoustic models of a Helmholtz resonator possessing a compliant diaphragm coupled to a piezoelectric device; (2) Design and fabricate the energy reclamation module and active Helmholtz resonator; (3) Develop and build appropriate energy reclamation/storage circuit; (4) Develop and fabricate appropriate piezoelectric shunt circuit to tune the compliance of the active Helmholtz resonator via a variable capacitor; (5) Quantify energy reclamation module efficiency in a grazing-flow plane wave tube possessing known acoustic energy input; and (6) Quantify actively tuned Helmholtz resonator performance in grazing-flow plane wave tube for a white-noise input

Sheplak, Mark↗

NASA NTRS2006

Tunable semiconductor lasers

Tunable semiconductor lasers are disclosed requiring minimized coupling regions. Multiple laser embodiments employ ring resonators or ring resonator pairs using only a single coupling region with the gain medium are detailed. Tuning can be performed by changing the phase of the coupling coefficient between the gain medium and a ring resonator of the laser. Another embodiment provides a tunable laser including two Mach-Zehnder interferometers in series and a reflector coupled to a gain medium.

Taghavi-Larigani, Shervin↗

NASA NTRS2013

Real-Time Minimization of Tracking Error for Aircraft Systems

This technology presents a novel, stable, discrete-time adaptive law for flight control in a Direct adaptive control (DAC) framework. Where errors are not present, the original control design has been tuned for optimal performance. Adaptive control works towards achieving nominal performance whenever the design has modeling uncertainties/errors or when the vehicle suffers substantial flight configuration change. The baseline controller uses dynamic inversion with proportional-integral augmentation. On-line adaptation of this control law is achieved by providing a parameterized augmentation signal to a dynamic inversion block. The parameters of this augmentation signal are updated to achieve the nominal desired error dynamics. If the system senses that at least one aircraft component is experiencing an excursion and the return of this component value toward its reference value is not proceeding according to the expected controller characteristics, then the neural network (NN) modeling of aircraft operation may be changed.

Garud, Sumedha↗

NASA NTRS2018

Laboratory and On-Sky Validation of the Shaped Pupil Coronagraph's Sensitivity to Low-Order Aberrations with Active Wavefront Control

We present early laboratory simulations and extensive on-sky tests validating of the performance of a shaped pupil coronagraph (SPC) behind an extreme-AO (Adaptive Optics) corrected beam of the Subaru Coronagraphic Extreme Adaptive Optics (SCExAO) system. In tests with the SCExAO internal source/wavefront error simulator, the normalized intensity profile for the SPC degrades more slowly than for the Lyot coronagraph as low-order aberrations reduce the Strehl ratio (S.R.) from extremely high values (S.R. approximately 0.93-0.99) to those characteristic of current ground-based extreme AO systems (S.R. approximately 0.74-0.93) and then slightly lower values down to S.R. approximately 0.57. On-sky SCExAO data taken with the SPC and other coronagraphs for brown dwarf/planet-hosting stars HD 1160 and HR 8799 provide further evidence for the SPC's robustness to low-order aberrations. From H-band Strehl ratios of 80 percent to 70 percent, the Lyot coronagraph's performance versus that of the SPC may degrade even faster on sky than is seen in our internal source simulations. The 5-sigma contrast also degrades faster (by a factor of two) for the Lyot than the SPC. The SPC we use was designed as a technology demonstrator only, with a contrast floor, throughput, and outer working angle poorly matched for SCExAO's current AO performance and poorly tuned for imaging the HR 8799 planets. Nevertheless, we detect HR 8799 cde with SCExAO/CHARIS using the SPC in broadband mode, where the signal-to-noise ratio for planet e is within 30 percent of that obtained using the vortex coronagraph. The shaped-pupil coronagraph is a promising design demonstrated to be robust in the presence of low-order aberrations and may be well-suited for future ground and space-based direct imaging observations, especially those focused on follow-up exoplanet characterization and technology demonstration of deep contrast within well-defined regions of the image plane.

Currie, Thayne↗

NASA NTRS2022

Characterization of Aerogel Scattering Filters for Astronomical Telescopes

We have developed a suite of novel infrared-blocking filters made by embedding scattering particles in a polymer aerogel substrate. Our developments allow us to tune the spectral performance of the filters based on both the composition of the base aerogel material and the properties of the scattering particles. Our filters are targeted for use in a variety of applications, from ground-based CMB experiments to planetary science probes. We summarize the formulations we have fabricated and tested to date, including several polyimide base aerogel formulations incorporating a range of size distributions of diamond scattering particles. We also describe the spectral characterization techniques used to measure the filters’ optical properties, including the development o fa mm-wave Fourier transform spectrometer testbed.

aerogel, filter, blocking, scattering, Fourier Tra↗

NASA NTRSDate not supplied

Revolutionizing Earth Science with Generalized AI Models

Foundation Models (FM) are generalized Artificial Intelligence (AI) models that are designed to replace a task or an application-specific model and can be used for many downstream applications. These FM can be built on any sequence data and are trained utilizing self-supervised approaches. The obstacle of creating a sizable labeled dataset for training is removed by using self-supervised learning. Most FM employ transformer design that takes advantage of the idea of self-attention, allowing the network to represent the impact of distant data points on one another in space and time. The FM models show emergent qualities that are induced from the data. FM can become a valuable tool for Earth science researchers. Due to the size of these models, downstream applications built fine-tuning these FM perform better and exhibit greater accuracy than models created from scratch. FM significantly lowers the entry barrier in terms of both the time and effort required to develop various downstream applications. For some scientific datasets, such as optical remote sensing data, FM can speed up processes like classification, object detection and prediction. By eliminating the training data bottleneck and maximizing the usage of science data, FM can make it simpler to integrate AI into scientific research. Initial results for three different FMs will be presented.

Rahul Ramachandran↗

NASA NTRSDate not supplied

Study of Martian Polar Caps with GISS ROCKE-3D GCM

Martian polar caps consist of both H 2 O and CO 2 ice. While H 2 O ice is mainly passive on modern Mars, it may have not been the case in recent Martian history, when its obliquity was higher, or when it was changing rapidly. The distribution of ice species in the snowpack affects its physical and thermodynamic properties. In the upper layers, it determines its albedo and thermal emissivity. Thus understanding the mutual effect between these ices and their interaction with the atmosphere is crucial for understanding the evolution of Martian polar regions. In this study, we employ a newly-developed Exotic Ices snow model coupled to the NASA Goddard Institute for Space Studies (GISS) ROCKE-3D planetary General Circulation Model (GCM) [1] to study the behavior of Martian polar caps. ROCKE-3D is a planetary GCM developed at NASA GISS as an extension of its Earth climate model, modelE [2]. It has been extensively used to simulate climate of various planets, including Mars (e.g. [3,4]). The Exotic Ices snow model was specially developed for planetary applications which involve more than one condensable in the atmosphere, in which case snow can contain multiple species of ice (CO2 and H 2 O in the Mars case). For each species of ice, the model uses their proper physical properties and phase diagram, but otherwise it treats all species of ice on an equal footing. The combined effects on albedo, thermal inertia and mutual insulation are treated accordingly. The snowpack interacts with the atmospheric dust cycle, and can accumulate a prognostic amount of dust, though the effect of dust on snow properties is not currently treated explicitly, and is prescribed. In this study, we first validate our model against the modern Martial climate, for which we use mission results from Mars Climate Sounder (atmospheric temperature and dust optical depth), SPICAM on Mars Express (atmospheric water), and Viking 2 (surface pressure). We investigate the effect of snow radiative properties on CO 2 and water cycles and the ability of our model to accurately reproduce those with minimal model tuning. We then perform simulations for several obliquities from a recent Martian past, and investigate the behavior of the Martian polar caps in such conditions.

Mars↗