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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Deriving effective electrode–ion interactions from free-energy profiles at electrochemical interfaces

Understanding ion adsorption at electrified metal–electrolyte interfaces is essential for accurate modeling of electrochemical systems. Here, in this study, we systematically investigate the free energy profiles of Na + , Cl − , and F − ions at the Au(111)–water interface using enhanced sampling molecular dynamics with both classical force fields and machine-learned interatomic potentials (MLIPs). Our classical metadynamics results reveal a strong dependence of predicted ion adsorption on the Lennard-Jones parameters, highlighting that—without due care—standard mixing rules can lead to qualitatively incorrect descriptions of ion–metal interactions. We present a systematic methodology for tuning the cross term LJ parameters to control adsorption energetics in agreement with more accurate models. As a surrogate for an ab initio model, we employed the recently released Universal Models for Atoms MLIP, which validates classical trends and displays strong specific adsorption for chloride, weak adsorption for fluoride, and no specific adsorption for sodium, in agreement with experimental and theoretical expectations. By integrating molecular-level adsorption free energies into continuum models of the electric double layer, we show that specific ion adsorption substantially alters the interfacial ion population, the potential of zero charge, and the differential capacitance of the system. Our results underscore the critical importance of force field parameterization and advanced interatomic potentials for the predictive modeling of ion-specific effects at electrified interfaces and provide a robust framework for bridging molecular simulations and continuum electrochemical models.

Roncoroni, Fabrice [Lawrence Berkeley National Lab↗
DOE OSTI2026

Parametrically amplified Josephson plasma waves in YBa 2 Cu 3 O 6+ x : Evidence for local superconducting fluctuations up to the pseudogap temperature T ∗

Experiments that subject underdoped YBa 2 Cu 3 O 6+x (YBCO) to intense terahertz pulses at temperatures between the transition temperature T c and the pseudogap scale T ∗ have revealed a reflectivity edge that resembles that of the superconducting state, together with second harmonic generation of a probe pulse modulated at a similar frequency. These have been interpreted in terms of parametric amplification of the lower Josephson plasmon mode. Since this mode is often associated with coherent oscillations between bilayers in the YBCO structure, these experiments have led to the suggestion that the intense pump has created (or revealed) in-plane pair coherence up to T ∗ ≈ 400 K. In this paper we propose an alternative explanation by assuming the existence of local pair amplitude and phase at equilibrium for T c < T < T ∗ . The phase correlation spans only a few lattice constants and we do not assume any pump-induced enhancement of this correlation, either in-plane or between bilayers. Instead, the coherent drive, via a parametric amplification process, induces coherence in the Josephson currents between members of bilayers. When combined with a Floquet framework, the reflectivity data can be explained. The key point is that in the lower Josephson plasmon, the coupling between bilayers is mainly capacitive; the Josephson current between bilayers can be set to zero without strongly affecting the parametric amplification process. Importantly, while superconducting coherence may not be created by the pump, the pseudogap phase must possess a local pairing amplitude at equilibrium. Consequently, these experiments have strong implications for the understanding of the pseudogap phase.

parametric amplification↗
DOE OSTI2025

Wide-Bandgap Semiconductor Amplifiers for Fusion Plasma Heating and Control

This paper discusses power electronics developed under the ARPA-E GAMOW program to support nuclear fusion power production. The goal of this project was to develop and assess the potential for wide-bandgap (WBG) semiconductor devices in power electronics to enable high-efficiency and high-voltage solid-state systems for fusion plasma generation, heating, and control. The power electronics use an architecture in which multiple high-power boards can be combined to produce megawatt-level power, where using multiple boards provides high reliability. Two main areas of power electronics boards are developed in this project for fusion plasma heating and control applications: (1) pulse generation and control and (2) radiofrequency generation. The first area is for boards capable of driving high-voltage millisecond pulses at high duty cycles. The envisioned application of these pulses is in plasma control of magnetohydrodynamic instabilities, plasma position, and edge-localized modes. Pulse-width modulation allows for the implementation of a wide variety of linear and nonlinear control systems. The boards developed for this project could actuate control coils based on digital input signals and can be parallelized to provide megawatts of output power. The design of the pulse generator is a low-side load switch. A load switch was designed and constructed that utilized 2-kV-rated field-effect transistor (FET)-based cascodes developed by Qorvo under this project to perform initial testing of these cascodes. The second area is being implemented using class E amplifiers with WBG devices and a reactance steering network to handle inductive or capacitive plasma loads. Applications include ion cyclotron resonance heating (ICRH) and high-harmonic fast-wave (HHFW) heating. A class E reactance steering network is demonstrated in modeling and experiment with a resistive-inductive load that models an inductively-coupled plasma. Power combining of boards with class E reactance steering networks is also simulated and demonstrated experimentally, to enable scaling up to high power. Modeling of high-power-density cooling and remaining useful life is conducted to enable reliable, effectively cooled high-power electronics for fusion applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Decomposition of methane diluted with inert gas in an RF discharge cell

Decomposition of methane using non-thermal plasmas is an attractive route for producing hydrogen-rich gases and valuable carbon nanomaterials. Understanding how plasma discharge modes influence methane decomposition in optimizing plasma-assisted chemical conversion remains unexplored. This study explores the coupling between the discharge structure and product selectivity in RF capacitively coupled discharges operating in methane/inert gas mixtures in the pressure range of 2–3 torr. Under our experimental conditions the discharge exhibits mode transitions from uniform to striated in Ar and Kr and from diffuse to contracted in Ar and Kr with <5% CH 4 . The discharges in He and Ne remained uniform under our operating conditions, and their mixtures with CH 4 remained diffuse. A 0-d model for Ar/CH 4 discharge established a threshold for contraction while also asserting the importance of Ar$^{*}_{\textrm{m}}$ in the dissociation and ionization processes. The highest degree of methane decomposition, >99.7% with the main products of acetylene and graphitized solid carbon was achieved in the contracted discharge mode for both Kr or Ar with ⩽5% CH 4 . We demonstrate that contraction can play a crucial role in the effective decomposition of methane with value-added products and that both the electronic and thermal properties of plasma gas are responsible for this effect.

RF plasma↗
DOE OSTI2026

Studies of laser stimulated photodetachment from nanoparticles for particle charge measurements

Determining nanoparticle charge is more challenging than that for microparticles due to change in the particle size during the synthesis substantial plasma property variations, and difficulties in visualizing individual particles, rendering conventional microparticle charge diagnostics ineffective in dusty plasma. In this work, we utilized laser-stimulated photodetachment (LSPD) to deduce the mean charge of nanoparticles. Nanoparticles were grown in an Ar/C 2 H 2 mixture using a capacitively coupled RF discharge and the LSPD induced changes in the electron current monitored by a cylindrical Langmuir probe. LSPD signals were obtained and analyzed across different dust growth phases. The prolonged decay of electron current pulses was attributed to the presence of residual negative ions, caused by the effective electrostatic trapping of these ions and the potential post—LSPD re-formation of new ones. The particle charge was estimated by combining the laser-stimulated photodetachment signal from the probe with the dust density obtained from laser-light extinction using the measured nanoparticle size distribution. For a nanoparticles size range of approximately 100–250 nm and mean diameter of $d$ p ∼154.37 nm, the effective mean charge was estimated to be $\langle$$Q$$\rangle$ d $≈$ 37 elementary charge units. The measured charge values are lower than those predicted by orbital motion limited theory, which may be attributed to significant electron depletion in the nanodusty plasma. LSPD results in Ar/C 2 H 2 nano-dusty plasma confirm the applicability of this method for estimating individual nanoparticle charges. However, it has also been demonstrated that electron detachment from residual background negative ions can influence the detachment current decay and must be carefully considered.

dust particle charge↗
DOE OSTI2024

A method to observe field-region oxide charge and inter-electrode isolation from CV-characteristics of n-on-p devices

Abstract N-on-psilicon sensors will be utilized in the Compact Muon Solenoid (CMS) detector's tracker and High Granularity Calorimeter (HGCAL) in the High Luminosity upgrade of the Large Hadron Collider (HL-LHC). Among their several advantages in terms of radiation hardness over the traditionalp-on-nsensors in the extreme radiation environment of the HL-LHC are electron collection instead of holes and overlapping maxima of weighting and electric fields at the charge-collecting electrodes. The disadvantage of the multi-channel SiO 2 -passivatedn-on-psensors is the generation of an inversion layer under the Si/SiO 2 -interface by a positive interface-oxide-charge (N ox ) that at high densities can compromise the position resolution by creating a conduction channel between the electrodes. This issue is typically addressed by including additional isolnts (p-stp,p-spray) between n + -electrodes. Focusing on the guard-ring regions ofn-on-psensors where no isolation implants are applied between the electrodes, a capacitance-voltage (CV) characterization study of both 6-inch wafer test diodes and 8-inch HGCAL prototype and pre-series sensors showed a distinct threshold voltage (V th,iso ) in theCV-characteristics of a biased n + -electrode when its enclosing guard-ring was left floating. When reproduced by simulations, the measuredV th,iso was found to contain information on the field-regionN ox and indicate the threshold where the two electrodes become electrically isolated by the influence of the reverse bias voltage. Together with previous studies on the inter-electrode isolation of irradiatedn-on-psensors, the results indicate that position sensitiven-on-psensors without isolation implants may be feasible in future HEP experiments.

Instruments & Instrumentation↗
DOE OSTI2024

Characterizing novel Indium Phosphide pad detectors with focused X-ray beams and laboratory tests

Future tracking systems in High Energy Physics experiments will require large instrumented areas with low radiation length. Crystalline silicon sensors have been used in tracking systems for decades, but are difficult to manufacture and costly to produce for large areas. We are exploring alternative sensor materials that are amenable to fast fabrication techniques used for thin film devices. Indium Phosphide pad sensors were fabricated at Argonne National Lab using commercially available InP:Fe 2-inch mono-crystal substrates. Current-voltage and capacitance-voltage characterizations were performed to study the basic operating characteristics of a group of sensors. Micro-focused X-ray beams at Canadian Light Source and Diamond Light Source were used to study the response to ionizing radiation, and characterize the uniformity of the response for several devices. Electrical test results showed a high degree of performance uniformity between the 48 tested devices. X-ray test beam results showed good performance uniformity within tested devices after accounting for spatially-local defects and edge fields. As a result, this motivates further studies into thin film devices for future tracking detectors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Impact of proton irradiation on 4H-SiC Low Gain Avalanche Detectors (LGADs)

Silicon carbide (SiC) particle detectors have the potential to provide time resolutions and robust performance in extreme environments which exceed that of silicon detectors. In this work 4H-SiC low gain avalanche detectors (LGADs) and complementary PiN diodes were irradiated with 2.5 GeV protons at fluences up to 3.33 × 10 14 p/cm 2 . The electrostatic performance of both irradiated and non-irradiated devices was evaluated using I-V and C-V measurements. Moreover, charge collection measurements using α particles were also conducted. SiC LGADs displayed a loss in rectification, high ON-state resistances >10 10 Ω-cm 2 , and the complete removal of gain when exposed to the highest proton fluence. Additionally, the reductions in capacitance and OFF-state current pointed to compensation of the gain layer as a gain reducing mechanism. The introduction of radiation-induced defects also hinders carrier acceleration, which reduces impact ionization and further gain reduction. LGADs exposed to a fluence of 1 × 10 14 p/cm 2 experienced a partial recovery in gain (originally having a value of ∼ 2) with a value of ∼ 1.65 when applying a bias of 500 V. Charge trapping was also seen in the reduction of charge collection efficiency (CCE) to ∼ 65% for the PiN diode. However, despite the reduction in device performance, the demonstration of a measurable signal after irradiation points to the potential of SiC LGAD detectors for future high energy physics applications.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Large-scale real-time signal processing in physics experiments: the ALICE TPC FPGA pipeline

For LHC Run 3, the ALICE Time Projection Chamber was upgraded to operate in continuous readout mode. Interaction rates of up to 50 kHz in Pb-Pb collisions require real-time processing of more than 3 TB s -1 of raw detector data. This requirement is met by a custom FPGA-based processing pipeline that performs the complete front-end data treatment fully in-stream, including common-mode correction, pedestal subtraction, ion-tail filtering, zero suppression, and dense data packing. A central element of the design is a highly parallel common-mode correction algorithm operating directly on the streaming data. It robustly identifies signal-free readout channels on a time-bin basis and applies pad-dependent scaling to compensate for local variations in capacitive coupling in the GEM readout. In combination with pedestal subtraction and ion-tail filtering, this enables accurate baseline restoration under extreme high-occupancy conditions, preventing signal loss while efficiently suppressing noise prior to zero suppression. The pipeline operates continuously at the full detector bandwidth and reduces the raw input rate of approximately 3 TB s -1 to about 900 GBps for Pb-Pb collisions at the target interaction rate. Overall, it represents a large-scale FPGA-based real-time signal-processing implementation for high-energy physics detector readout.

Digital signal processing (DSP)↗
DOE OSTI2026

Resilience of High-Efficiency CdSeTe:As and CdSeTe:Cu Solar Cells to Proton Irradiation

Power generation in space is currently dominated by expensive III-V multi-junction photovoltaic (PV) devices and cheap crystalline silicon (c-Si) PV devices. Both of these technologies degrade rapidly in proton-radiation-rich space environments, such as the Van Allen belt. The present study of cadmium selenide telluride- (CdSeTe-) based PV devices exposed to 150-to-1500 keV proton irradiation with fluences up to 9 x 1013 cm-2 reveal a more radiation-hard alternative to III-V and c-Si PV technologies. We report on measurement and analysis of current density vs voltage (JV), external quantum efficiency (EQE), external radiative efficiency, and capacitance vs voltage (CV) characteristics. JV characteristics of As-doped CdSeTe devices show 80% remaining power conversion efficiency (PCE) relative to unexposed controls when exposed to 650 keV protons at a fluence of 1012 cm-2. Under these same irradiation conditions, Cu-doped CdSeTe devices demonstrate an even better 95% PCE retention compared with unirradiated control devices. Evidence of radiation-induced absorber p-type doping compensation is observed in the glass-side EQE at 0 V and CV characteristics of most of the irradiated CdSeTe:As devices, but clear compensation is evident only for the most heavily irradiated CdSeTe:Cu devices. Elevated blue-green photocurrent in the film-side 0 V EQE suggests a buried junction in the most heavily irradiated CdSeTe:As devices. Although CdSeTe:Cu devices are the more resilient of the CdSeTe structures, both CdSeTe-based technologies are radiation-hard when compared to c-Si and III-V multi-junction PV.

14 SOLAR ENERGY↗
DOE OSTI2024

Atomic Electron Tomography of Thin Films

In the past decade, the development of atomic electron tomography (AET) [1] has allowed for the 3D characterization of atomic positions in nanoparticle [2], monolayer [3], and needle [4] geometries. Furthermore, many technologically important systems are synthesized and utilized as thin films. Several challenges in sample preparation and data analysis have been overcome to expand the scope of AET to these systems. Polycrystalline yttrium-doped hafnium dioxide (HfO 2 ) was chosen as a model system, because it is technologically relevant as a high capacitance dielectric and ferroelectric.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Indirect tunneling enabled spontaneous time-reversal symmetry breaking and Josephson diode effect in TiN/Al 2 ⁢O 3 /Hf 0.8 ⁢Zr 0.2 ⁢O 2 /Nb tunnel junctions

Josephson diode (JD) effect in Josephson tunnel junctions (JTJs) has attracted a great deal of attention due to its importance for developing superconducting-circuitry-based quantum technologies. Even though the preparation of high-quality JTJs by techniques employed in the semiconductor industry has been demonstrated, which was an important milestone because JTJs are the building blocks of superconducting electronics even before the quantum era, the JD effect has not been accomplished in them, nor has the highly desirable electrical control of the effect. We report here the fabrication of JTJs featuring a composite tunnel barrier of Al 2 ⁢O 3 and Hf 0.8 ⁢Zr 0.2 ⁢O 2 using complementary-metal-oxide-semiconductor compatible atomic layer deposition. These JTJs were found to show the JD effect in nominally zero magnetic fields with nonreciprocity controllable via an electric training current, yielding a surprisingly large diode efficiency. The quasiparticle tunneling, through which the Josephson coupling in a JTJ is established, was found to show theoretically expected gap features but no nonreciprocity. We attribute these observations to the simultaneous presence of positive and negative local Josephson couplings in the JTJs, with the negative Josephson coupling originating from indirect tunneling, which results in spontaneous time-reversal symmetry breaking. Finally, the double-minima washboard potential for the ensemble-averaged phase difference in the resistively and capacitively shunted junction model is shown to fully account for the experimentally observed JD effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Conceptual design of a high reactive-power ferroelectric fast reactive tuner

We present a novel design of a ferroelectric fast reactive tuner (FE-FRT) capable of modulating mega-VAR reactive power on a submicrosecond timescale. The high reactive power capability of our design extends the range of applications of reactive tuners to numerous applications. We present a detailed analytical model of the performance of a megawatt-class reactive power device and benchmark it against finite-element method eigenmode and frequency domain electromagnetic simulations. We introduce new features, including an annulus design for the ferroelectric capacitors and capacitive window coupling to the cavity. We consider thermal design issues and nonlinear effects in the ferroelectric. The model covers several configurations, allowing control of the frequency of superconducting and normal-conducting cavities in a variety of applications and frequencies. We calculate that the FE-FRT designed should be capable of handling around 0.45 MVAR of reactive power with around 3 kW of resistive losses, providing a frequency tuning range of 8 kHz in an example of 400 MHz cavity geometry. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Probing Ice-Rule-Breaking Transition in Dy 2 Ti 2 O 7 Thin Film by Proximitized Transport and Magnetic Torque

While the spin-ice state of bulk pyrochlores such as Dy 2⁢ Ti 2 ⁢O 7 and Ho 2⁢ Ti 2 ⁢O 7 has been extensively studied in the past several decades due to its unique degenerate ground state and emergent monopole excitation, whether it survives in the thin-film form remains a mystery. The limited volume of the thin-film sample makes it challenging to study the intrinsic magnetic properties. Here, we synthesized 18-nm-thick Dy 2⁢ Ti 2 ⁢O 7 thin film on yttria-stabilized zirconia with 9.5 mol% Y 2 ⁢O 3 substrate and capped it by a thin conductive Bi 2 ⁢Ir 2 ⁢O 7 layer and performed the proximitized magnetoresistance measurements. Our Letter found that the ice-rule-breaking phase transition survives but with a modified effective nearest-neighbor interaction (𝐽 eff =1.054 K) and distorted Ising spin axes (𝜀 = +0.051) compared to the bulk crystal. Furthermore, the results are supported by the simultaneously measured capacitive torque magnetometry. Our Letter demonstrates that proximitized transport is an effective tool for thin films of insulating frustrated magnets.

Magnetic interactions↗
DOE OSTI2025

Magnetoelastic-coupling-assisted first-order antiferromagnetic transitions in the corrugated honeycomb-lattice compounds (Ca, Sr) ⁢Mn 2 ⁢ P 2

Understanding the origin of unconventional magnetic order is a central theme in the research field of functional quantum materials for spin-dependent applications. In general, a paramagnetic (PM) to antiferromagnetic (AFM) transition is of thermodynamically second order in nature in the absence of a magnetic field. In the magnetically frustrated corrugated-honeycomb lattice compounds (Ca, Sr) ⁢Mn 2 ⁢ P 2 , electrical resistivity 𝜌 measurements in the 𝑎⁢𝑏 plane are reported to exhibit sharp discontinuities at the respective PM to AFM ordering temperatures 𝑇 N = 69.5 and 53 K, respectively, signifying the unusual first-order nature of the AFM transition. To reveal the origin of such anomalous transitions, high-resolution linear thermal-expansion measurements are reported for both CaMn 2 ⁢P 2 and SrMn 2 ⁢ P 2 in the 𝑎⁢𝑏 plane and along the 𝑐 axis using capacitance dilatometry. The thermal expansion measurements show a sharp discontinuity in Δ⁢𝐿/𝐿 at 𝑇 N , yielding a diverging behavior in the thermal expansion coefficient 𝛼⁡(𝑇) associated with strong magnetoelastic coupling, driving the first-order AFM transition in CaMn 2 ⁢P 2 . However, this effect is weaker in SrMn 2 ⁢P 2 , consistent with the magnetic entropy changes 𝑆⁡(𝑇) obtained from the heat-capacity measurements. Temperature-dependent 𝑎⁢𝑏-plane x-ray diffraction measurements for CaMn 2 ⁢ P 2 near its 𝑇 N yield a volume thermal expansion coefficient consistent with literature data for other materials. The uniaxial pressure derivatives of 𝑇 N in the two compounds are found to be respectively opposite in sign, presumably due to the different magnetic structures.

Pakhira, Santanu [Maulana Azad National Institute ↗
DOE OSTI2025

Magnetic structure determination of multiple phases in the multiferroic candidate GdCrO 3

Due to their potential applications in low-power consumption and/or multistate memory devices, multiferroic materials have attracted a lot of attention in the condensed matter community. As part of the effort to identify new multiferroic compounds, perovskite-based GdCrO 3 was studied in both bulk and thin film samples. A strong enhancement of the capacitance in a field suggested ferroelectric behaviour but significant leakage and no well developed P–E hysteresis loops were observed. Measurements clearly indicate the existence of a polar phase but only below 2 K (likely connected to Gd ordering). Here the determination of the magnetic structure through neutron diffraction collected on an isotopic 160 GdCrO 3 sample at the WISH diffractometer at ISIS is reported. The presence of three successive magnetic phases as a function of temperature (commensurate, spin re-orientation and incommensurate phases once the Gd order), previously only seen by magnetization, is confirmed. Using the most recent guidelines for reporting the determined structures, we highlight the benefits of using such nomenclature for discussing physical properties and consider possible mechanisms and couplings that led this seemingly rather isotropic system to display the complex structures observed.

incommensurate magnetic structure↗
DOE OSTI2026

A Machine Learning based Approach of Estimating Equivalent Circuit Model Parameters at Different SoCs of Li-ion Batteries from Voltage Relaxation

Abstract: In this study, an approach of estimating the equivalent circuit model (ECM) parameters for Li-ion batteries (LIBs) is proposed based on the voltage value at different intervals while relaxing the LIB after discharge. The typical approach for estimating ECM parameters of a LIB is to conduct electrochemical impedance spectroscopy (EIS) measurements at different frequencies and fit them to a predefined circuit model, which requires additional measuring arrangements and specialized devices. The proposed methodology utilizes four different voltages at 0s, 60s, 360s, and 1800s alongside the specific state of charge (SoC) value for a specific constant discharge current value of ~1C until the relaxation stage to train and evaluate three regression-based machine learning models— Support Vector Regression (SVR), Extreme Gradient Boosting (XGBoost), and Gaussian Process Regression (GPR)—for estimating the ECM parameters of the selected model. Bayesian optimization is employed for hyperparameter tuning to achieve optimal performance for all the regressor models, among which, the GPR provided the best performance with the root-mean-squared error (RMSE) of less than 4x10-4 on average for the resistive components and less than 0.27 for capacitive components with excellent R2 scores. The simplicity of the approach enables it to eliminate the need for sophisticated measuring equipment and computation power.

Sagar, Md. Samiul [The University of Alabama (UA)]↗
DOE OSTI2025

Skipper-CCD Output Sensitivity Improvement with a Common Source Cascode Amplifier

A Skipper-CCD output has been traditionally readout in a source follower configuration, also known as common drain, mainly because in this configuration a good compromise between sensitivity, noise and speed is achieved. In this work a different approach is presented: the output transistor is connected in a common source configuration and an external cascode device is added in series, obtaining a voltage gain higher than unity without increasing significantly the parasitic capacitance due to Miller effect and thus increasing the obtained voltage per electron of charge. The proposed output stage improves the sensitivity 3.4 times when compared with the traditionally used stage while keeping almost the same equivalent noise charge.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗