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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Development of the data base for a degradation model of a selenide RTG

The paper is concerned with the evaluation of the materials used in a selenide radioisotope thermoelectric generator (RTG). These materials are composed of n-type gadolinium selenide and n-type copper selenide. A three-fold evaluation approach is being used: (1) the study of the rate of change of the thermal conductivity of the material, (2) the investigation of the long-term stability of the material's Seebeck voltage and electrical resistivity under current and temperature gradient conditions, and (3) determination of the physical behavior and compatibility of the material with surrounding insulation at elevated temperatures. Programmatically, the third category of characteristic evaluation is being emphasized.

Stapfer, G.↗
DOE OSTI2023

Neutron generation using pyroelectric crystals

A method for producing a neutrons includes producing a voltage of negative polarity of at least −100 keV on a surface of a deuterated or tritiated target in response to a temperature change of a pyroelectric crystal of less than about 40° C., the pyroelectric crystal having the deuterated or tritiated target coupled thereto, pulsing a deuterium ion source to produce a deuterium ion beam, accelerating the deuterium ion beam to the deuterated or tritiated target, and directing the ion beam onto the deuterated or tritiated target to make neutrons using at least one element of the following: a voltage of the pyroelectric crystal and a high gradient insulator (HGI) surrounding the pyroelectric crystal. The accelerating of the deuterium ion beam is achieved by using an ion accelerating mechanism comprising a pyroelectric stack accelerator having a first thermal altering mechanism for changing a temperature of the pyroelectric stack accelerator.

Tang, Vincent↗
DOE OSTI2020

High Dynamic Voltage Range Studies of Piezoelectric Multilayer Actuators at Low Temperatures

Piezo actuators are used for resonance control in superconducting linacs. In high accelerating gradients linacs, such as those operated in a pulsed mode, the piezos require a large operating voltage. This is due to the Lorentz forced detuning which causes a large frequency shift and is compensated with an active piezo-tuning system. In this high dynamic voltage range the piezo is expected to warm up drastically due to it being in an insulated vacuum. This study characterizes the dielectric properties (capacitance, dielectric losses), the piezo stroke (from geophone), and thermal properties such as heating. Results obtained in the temperature range of 20K to 300K will be presented and discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Calcium Gradient-Doped LiNi 0.5 Mn 1.5 O 4 Cathode for Long Cycle Life Lithium-Ion Batteries

High-voltage spinel LiNi 0.5 Mn 1.5 O 4 (LNMO) has attracted considerable attention as a cathode material for next-generation lithium-ion batteries due to its high operating voltage and intrinsically fast lithium-ion diffusion kinetics. However, the practical implementation of LNMO remains limited by its rapid capacity decay, primarily associated with bulk structural instability and parasitic interfacial reactions. To address these issues, we innovatively introduced calcium (Ca) as a dopant to enhance both the oxygen framework and surface stabilities of the LNMO crystal through gradient doping. Observations from the electronic microscopies, X-ray diffraction, and the elemental analysis confirmed that Ca is preferentially enriched at the particle surface, and a disordered crystal phase is preserved in the bulk in the gradient-doped LNMO cathodes. As cathodes in LIBs, the Ca gradient-doped (Ca gr) LNMO materials delivered formation capacities of ∼126−130 mAh/g and exhibited Coulombic efficiencies of 88−95%, which are consistently higher than those of the uniform-doped samples at the same doping level and undoped sample. Especially, the Ca gr 0.05 LNMO cathode demonstrated significantly improved rate capability with ∼113 mAh/g preserved at 10 C, while ∼92 mAh/g and ∼110 mAh/g for undoped and Ca uniform 0.05 LNMO, respectively, and excellent cycling stability, retaining ∼124.1 mAh/g (∼96.3% capacity retention) after 500 cycles. The analysis of cyclic voltammetry, differential capacity, and electrochemical impedance revealed that the excellent electrochemical performance is attributed to the structural and morphological advantages of gradient-doped LNMO cathodes with a disordered bulk structure for fast Li + diffusion and a Ca-enriched surface for minimizing the Mn dissolution.

25 ENERGY STORAGE↗
DOE OSTI2025

Benchmarking optimization methods for materials research: Gradient descent and Bayesian optimization for lithium-ion battery aging diagnostics

Accurate and efficient parameter estimation is essential for battery diagnostics and aging analysis. Here, in this study, we compare two optimization-based approaches—gradient descent and Bayesian optimization—for extracting parameters from differential voltage analysis in lithium-ion batteries. While these techniques are widely used, their relative strengths and limitations for this application are not well understood. The study evaluates the trade-offs between these methods in terms of result quality, computational cost, and reliability within this specific application. The diagnostic results from our battery data suggest adopting gradient descent as an initial method for rapid and efficient analysis, while employing more stable optimization techniques, such as Bayesian optimization, as a verification step to mitigate potential instability. Comparing the two methods provides information on algorithmic choice, while inspiring further discussions on selecting appropriate techniques for specific research tasks.

Zhao, Ziqing [Boston Univ., MA (United States)] (O↗
DOE OSTI2025

Nonequilibrium steady-state thermoelectrics of Kondo-correlated quantum dots

The transport across a Kondo-correlated quantum dot coupled to two leads with independent temperatures and chemical potentials is studied using a controlled nonperturbative, and in this sense numerically exact, treatment based on a hybrid numerical renormalization group combined with time-dependent density matrix renormalization group (NRG-tDMRG). In the Kondo regime, for sufficiently large fixed voltage bias V ≳ T K , with T K the Kondo temperature, we find a peak in the conductance vs the temperature gradient Δ⁢T = T R - T L across left and right lead. Focusing then on zero voltage bias but finite ΔT far beyond linear response, we reveal the dependence of the characteristic zero-bias conductance on the individual lead temperatures. Here, we find that the finite-Δ⁢T data behaves quantitatively similar to linear response with an effective equilibrium temperature derived from the different lead temperatures. The regime of sign changes in the Seebeck coefficient, signaling the presence of Kondo correlations, and its dependence on the individual lead temperatures provide a complete picture of the Kondo regime in the presence of finite-temperature gradients. The results from the zero-bias conductance and Seebeck coefficient studies unveil an approximate “Kondo circle” in the T L /T R plane as the regime within which the Kondo correlations dominate. We also study the heat current and the corresponding heat conductance vs finite Δ⁢T. We provide a polynomial fit for our numerical results for the thermocurrent as a function of the individual lead temperatures, which may be used to fit experimental data in the Kondo regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Design of High-Voltage Stable Hybrid Electrolyte with an Ultrahigh Li Transference Number

Considering the high energy consumption during processing, and the low compliance and adhesion of ceramic electrolytes, the integration of polymer into ceramic electrolytes provides a way to mitigate the interfacial issues. However, the severe ion concentration gradient, low ionic conductivity, and instability toward Li metal and high-voltage cathodes become the major concerns in applying hybrid electrolytes. In this work, we report a single-ionconducting hybrid electrolyte (SIE-LLZO) with 64 wt % Li 7 La 3 Zr 2 O 12 (LLZO) particles embedded in a fluoroboron-centered Li-conductive polymer framework (LiBFSIE). The SIE-LLZO electrolyte exhibited a high Li transference number of 0.94 and electrochemical stability up to 5.6 V vs Li/Li + . Promising averaged Coulombic efficiencies of 99.97% and 99.91% were achieved in cells with LiNi 0.8 Co 0.15 Al 0.05 O 2 and LiNi 0.6 Mn 0.2 Co 0.2 O2 cathodes for 400 and 200 cycles, respectively. Finally, the Li-conducting pathway in the hybrid electrolyte was further investigated by a 6 Li-to- 7 Li isotope replacement method, indicating that Li transport mainly relies on the LLZO and interface between LiBFSIE and LLZO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Epitaxial silicon solar cells

P+/p/n/n+ epitaxial silicon solar-cell structures were fabricated with the n-base region intentionally graded over 2 orders of magnitude in a thickness of 35 microns. Solar cells made from these layers exhibited near-ideal I-V characteristics in the practical operating range, with an open-circuit voltage of 636 mV, fill factor of 0.79, and AM1 efficiency of 12.6%. A similar epitaxial structure containing no gradient in the n-base showed good solar-cell performance but lower open-circuit voltage (603 mV).

Daiello, R. V.↗
DOE OSTI2025

Ion Transport in Concentrated Crosslinked Solid Polymer Electrolytes

Crosslinking polymers is a common approach to create mechanically stable solid materials such as polymer electrolytes for lithium batteries. In conventional liquid electrolytes, the solvent molecules move freely to accommodate the field-induced motion of ions. However, in crosslinked polymer electrolytes, the rearrangement of polymer segments is constrained by the deformation limits of the network. Herein, we develop a new transport model that accounts for both the formation of concentration gradients and the elasticity of the electrolyte. The elasticity is incorporated by adding an additional term related to the entropy of crosslinked strands to the electrochemical potential of the salt. The resulting Crosslink Model contains two adjustable parameters: $\mathcal{N}$, the average number of monomers in a strand, and λ crit , the maximum strain the network can sustain. These solid-like constraints produce singularities in the governing transport equations, fundamentally altering the concentration profiles. Plateaus in salt concentrations emerge near the electrodes, and network elasticity introduces a strain overpotential. When compared to a Baseline Model ($\mathcal{N}$ → ∞, equivalent to concentrated solution theory), which predicts steepest gradients near the electrodes, both models yield similar current–voltage relationships. Model predictions are compared to electrochemical data for a poly(ethylene oxide)-based crosslinked polymer electrolyte.

Patel, Vivaan [University of California, Berkeley,↗
DOE OSTI2022

20%-efficient polycrystalline Cd(Se,Te) thin-film solar cells with compositional gradient near the front junction

Bandgap gradient is a proven approach for improving the open-circuit voltages (V OC s) in Cu(In,Ga)Se 2 and Cu(Zn,Sn)Se 2 thin-film solar cells, but has not been realized in Cd(Se,Te) thin-film solar cells, a leading thin-film solar cell technology in the photovoltaic market. Here, we demonstrate the realization of a bandgap gradient in Cd(Se,Te) thin-film solar cells by introducing a Cd(O,S,Se,Te) region with the same crystal structure of the absorber near the front junction. The formation of such a region is enabled by incorporating oxygenated CdS and CdSe layers. We show that the introduction of the bandgap gradient reduces the hole density in the front junction region and introduces a small spike in the band alignment between this and the absorber regions, effectively suppressing the nonradiative recombination therein and leading to improved VOCs in Cd(Se,Te) solar cells using commercial SnO 2 buffers. A champion device achieves an efficiency of 20.03% with a V OC of 0.863 V.

14 SOLAR ENERGY↗
DOE OSTI2020

Reverse and Forward Engineering of Local Voltage Control in Distribution Networks

The increasing penetration of renewable and distributed energy resources in distribution networks calls for real-time and distributed voltage control. As such, in this paper we investigate local Volt/VAR control with a general class of control functions, and show that the power system dynamics with non-incremental local voltage control can be seen as a distributed algorithm for solving a well-defined optimization problem (reverse engineering). The reverse engineering further reveals a fundamental limitation of the non-incremental voltage control: the convergence condition is restrictive and prevents better voltage regulation at equilibrium. This motivates us to design two incremental local voltage control schemes based on the subgradient and pseudo-gradient algorithms respectively for solving the same optimization problem (forward engineering). The new control schemes decouple the dynamical property from the equilibrium property, and have much less restrictive convergence conditions. This work presents another step towards developing a new foundation—network dynamics as optimization algorithms—for distributed real-time control and optimization of future power networks.

42 ENGINEERING↗
DOE OSTI2022

Modeling a Nb3Sn Cryounit in GPT at UITF

Nb₃Sn is a prospective material for future superconducting RF (SRF) accelerator cavities. The material can achieve higher quality factors, higher temperature operation and potentially higher accelerating gradients (E_{acc} 96 MV/m) compared to conventional niobium. In this work, we performed modeling of the Upgraded Injector Test Facility (UITF) at Jefferson Lab utilizing newly constructed Nb₃Sn cavities. We studied the effects of the buncher cavity and varied the gun voltages from 200-500 keV. We have calibrated and optimized the SRF cavity gradients and phases for the Nb₃Sn five-cell cavities energy gains with the framework of General Particle Tracer (GPT). Our calculations show the beam goes cleanly through the unit. There is full energy gain out of the second SRF cavity but not from the first SRF cavity due to non-relativistic phase shifts.

Pokharel, S.↗
DOE OSTI2024

A data-driven sensor placement approach for detecting voltage violations in distribution systems

Stochastic fluctuations in power injections from distributed energy resources (DERs) combined with load variability can cause constraint violations (e.g., exceeded voltage limits) in electric distribution systems. To monitor grid operations, sensors are placed to measure important quantities such as the voltage magnitudes. Here, in this paper, we consider a sensor placement problem which seeks to identify locations for installing sensors that can capture all possible violations of voltage magnitude limits. We formulate a bilevel optimization problem that minimizes the number of sensors and avoids false sensor alarms in the upper level while ensuring detection of any voltage violations in the lower level. This problem is challenging due to the nonlinearity of the power flow equations and the presence of binary variables. Accordingly, we employ recently developed conservative linear approximations of the power flow equations that overestimate or underestimate the voltage magnitudes. By replacing the nonlinear power flow equations with conservative linear approximations, we can ensure that the resulting sensor locations and thresholds are sufficient to identify any constraint violations. Additionally, we apply various problem reformulations to significantly improve computational tractability while simultaneously ensuring an appropriate placement of sensors. Lastly, we improve the quality of the results via an approximate gradient descent method that adjusts the sensor thresholds. We demonstrate the effectiveness of our proposed method for several test cases, including a system with multiple switching configurations.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Cation reordering instead of phase transitions: Origins and implications of contrasting lithiation mechanisms in 1D ζ- and 2D α-V 2 O 5

Substantial improvements in cycle life, rate performance, accessible voltage, and reversible capacity are required to realize the promise of Li-ion batteries in full measure. Here, we have examined insertion electrodes of the same composition (V 2 O 5 ) prepared according to the same electrode specifications and comprising particles with similar dimensions and geometries that differ only in terms of their atomic connectivity and crystal structure, specifically two-dimensional (2D) layered α-V 2 O 5 that crystallizes in an orthorhombic space group and one-dimensional (1D) tunnel-structured ζ-V 2 O 5 crystallized in a monoclinic space group. By using particles of similar dimensions, we have disentangled the role of specific structural motifs and atomistic diffusion pathways in affecting electrochemical performance by mapping the dynamical evolution of lithiation-induced structural modifications using ex situ scanning transmission X-ray microscopy, operando synchrotron X-ray diffraction measurements, and phase-field modeling. We find the operation of sharply divergent mechanisms to accommodate increasing concentrations of Li-ions: a series of distortive phase transformations that result in puckering and expansion of interlayer spacing in layered α-V 2 O 5 , as compared with cation reordering along interstitial sites in tunnel-structured ζ-V 2 O 5 . By alleviating distortive phase transformations, the ζ-V 2 O 5 cathode shows reduced voltage hysteresis, increased Li-ion diffusivity, alleviation of stress gradients, and improved capacity retention. The findings demonstrate that alternative lithiation mechanisms can be accessed in metastable compounds by dint of their reconfigured atomic connectivity and can unlock substantially improved electrochemical performance not accessible in the thermodynamically stable phase.

25 ENERGY STORAGE↗
DOE OSTI2023

Effect of the neutral beam injector operational regime on the Alfven eigenmode saturation phase in DIII-D plasma

The aim of this study is to analyze the effect of the neutral beam injector (NBI) operation regime on the saturation phase of the Alfven Eigenmodes (AEs) in DIII-D plasma. Here, the analysis is done using the linear and nonlinear versions of the gyro-fluid code FAR3d. A set of parametric analyses are performed modifying the nonlinear simulation EP $β$ (NBI injection power), EP energy (NBI voltage) and the radial location of the EP density profile gradient (NBI radial deposition). The analysis indicates a transition from the soft (local plasma relaxation) to the hard MHD (global plasma relaxation) limit if the simulation EP $β$ $\unicode{x2A7E}$ $0.02$, leading to bursting MHD activity caused by radial AEs overlapping. MHD bursts cause an enhancement of the EP transport showing ballistic-like features as avalanche-like events. Simulations in the soft MHD limit show an increment of the EP density gradient as the EP $β$ increases. On the other hand, there is a gradient upper limit in the hard MHD limit, consistent with the critical-gradient behavior. AEs induce shear flows and zonal current leading to the deformation of the flux surfaces and the safety factor profile, respectively, particularly strong for the simulation in the hard MHD limit. Simulations in the hard MHD regime show a decrease of the AE frequency in the saturation phase; this is caused by the destabilization of a transitional mode between a $9/3-10/3$ TAE and a $9/3$ RSAE that may explain the AE frequency down-sweeping observed in some DIII-D discharges. Reducing the EP energy in the nonlinear simulations leads to a weakening of the plasma perturbation. On the other hand, increasing the EP energy causes the opposite effect. Nonlinear simulations of off-axis NBI profiles indicate a lower plasma perturbation as the EP density gradient is located further away from the magnetic axis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1974

The drift field model applied to the lithium-containing silicon solar cell

The drift field model used by Wolf (1963) to calculate the short-circuit current was extended to permit calculations of the open-circuit voltage and the maximum power under conditions of illumination of either tungsten (2800 C) source or air mass zero sunlight. Voltages were calculated using an expression for the drift field diode saturation current. The model, applied to the oxygen-rich (C-13 group) lithium solar cells, was used to calculate the pre- and post-electron bombardment trends of the open-circuit voltage, maximum power, and short-circuit current for lithium gradients in the range from 10 to the 18th power to 10 to the 19th power Li/cm to the 4th power. Diffusion length degradation and carrier removal effects were sufficient to predict the cell performance up to 3 x 10 to the 14th electrons per sq cm. Beyond this fluence it was necessary to include drift field removal effects.

Godlewski, M. P.↗
NASA NTRS2000

Increase in the Random Dopant Induced Threshold Fluctuations and Lowering in Sub 100 nm MOSFETs Due to Quantum Effects: A 3-D Density-Gradient Simulation Study

In this paper we present a detailed simulation study of the influence of quantum mechanical effects in the inversion layer on random dopant induced threshold voltage fluctuations and lowering in sub 100 nm MOSFETs. The simulations have been performed using a 3-D implementation of the density gradient (DG) formalism incorporated in our established 3-D atomistic simulation approach. This results in a self-consistent 3-D quantum mechanical picture, which implies not only the vertical inversion layer quantisation but also the lateral confinement effects related to current filamentation in the 'valleys' of the random potential fluctuations. We have shown that the net result of including quantum mechanical effects, while considering statistical dopant fluctuations, is an increase in both threshold voltage fluctuations and lowering. At the same time, the random dopant induced threshold voltage lowering partially compensates for the quantum mechanical threshold voltage shift in aggressively scaled MOSFETs with ultrathin gate oxides.

Asenov, Asen↗
DOE OSTI2022

Data-Driven Distribution System Coordinated PV Inverter Control Using Deep Reinforcement Learning

The deployment of distributed solar photovoltaic (PV) systems has increased consistently over the past decades. High penetrations of PVs could cause a series of adverse grid impacts, such as voltage violations. The recent development of smart inverter technologies rises the incentives of developing PV control solutions that regulate the inverter output power and seeking the optimization on system operational objectives. This paper proposes a data-driven control solution based on deep reinforcement learning (DRL) to optimize PV inverters for voltage regulation. The proposed solution can minimize PV real power curtailment while maintaining network voltage at an acceptable range. Comparison results between the proposed DRL control algorithms with deep deterministic policy gradient (DDPG) and volt-var control on a real feeder in west Colorado highlight the advantage of the proposed framework in controlling the system voltage while minimizing the PV real power curtailment.

deep reinforcement learning↗