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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Hybrid Symbolic-Numerical Modeling and Parametric Stability Analysis of DC–AC Power Systems

Hybrid DC-AC power systems integrating diverse inverter-based resources (IBRs) and multi-terminal high-voltage direct current (MTDC) networks represent a promising architecture for future power grids, while introducing challenges for modeling, stability analysis, and control design. This paper develops a hybrid symbolic-numerical modeling framework and tool to characterize the parametric small-signal stability of DC-AC coupled power systems. The proposed approach constructs parametric state-space models to enable efficient representation of system dynamics under varying control parameters and network configurations, with target parameters retained as symbolic variables and the remainder treated numerically. The stability analysis framework covers eigenvalue, sensitivity, and stability boundary and region characterization. Enhanced linear matrix inequality (LMI) techniques are proposed to directly certify small-signal stability over regions of parameter space while also reducing the conservativeness and computational burden. The resulting tools and frameworks enable rapid parametric model construction across diverse grid conditions, thereby facilitating stability-informed control and operation in complex DC–AC power systems.

DC–AC power systems↗
DOE OSTI2023

A Stability Analysis Tool for Bulk Power Systems Using Black-Box Models of Inverter-Based Resources

This paper presents a small-signal stability analysis tool for large-scale power systems with high penetration of inverter-based resources (IBRs). Firstly, a network transfer function matrix (NTFM), which represents the information of the system topology, transmission lines, loads, IBRs locations, etc., is derived to model the entire power system network. Secondly, small-signal perturbation method is applied to obtain the sequence impedance/admittance models of the block-box IBRs considering the frequency cross-coupling effects. With the obtained NTFM as well as IBR models, a multi-input, multi-output (MIMO) feedback system is constructed, and the generalized Nyquist criterion (GNC)-based stability method is employed to analyze the stability of the entire power system. Furthermore, based on the developed stability analysis method, sensitivity analysis is conducted on an unstable case to identify which parameter has a high impact on the system stability. As a result, different test cases based on a modified IEEE 14- bus system as well as a reduced 240-bus WECC system are studied to verify the proposed stability analysis tool.

42 ENGINEERING↗
DOE OSTI2020

Low-Frequency Stability Analysis of Inverter-Based Islanded Multiple-Bus AC Microgrids Based on Terminal Characteristics

For system planning of three-phase inverter-based islanded ac microgrids, the low frequency instability issue caused by interactions of inverter droop controllers is a major concern. When internal control information of procured commercial inverters is unknown, impedance-based small-signal stability criteria facilitate prediction of resonances in medium and high frequency ranges, but they usually assume the grid fundamental frequency as constant and thus they are incapable of analyzing the low-frequency oscillation of the fundamental frequency in islanded microgrids. Aiming at solving this issue, this paper proposes two stability analysis methods based on terminal characteristics of inverters and passive connection network including the dynamics of the fundamental frequency for analysis of low-frequency stability in islanded multiple-bus microgrids. Based on the Component Connection Method (CCM) to systematically separate inverters from the passive connection network, a general approach is developed to model the microgrid as a multiple-input-multiple-output (MIMO) negative feedback system in the common system d-q reference frame. By applying the generalized Nyquist stability criterion (GNC) to the return-ratio and return-difference matrices of the MIMO system model, the low-frequency stability related to the fundamental frequency can be analyzed using the measured terminal characteristics of inverters. Finally, analysis and simulation of a 37-bus microgrid verify the effectiveness of the proposed stability analysis methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Moisture Stability of Sulfide Solid-State Electrolytes

In this report we detail a comprehensive study on the moisture stability of sulfide solid-state electrolytes in dry room environments. Although sulfide SSEs have many favorable attributes, this class of materials suffers from poor stability with water. Sulfide SSEs react with water to form gaseous H 2 S and a variety of solid byproducts like Li 3 PO 4 and LiOH, which go on to increase the interfacial impedance of solid-state batteries. Lab-scale research typically utilizes gloveboxes with <1 ppm water, however, the large-scale manufacturing of Li-ion batteries occurs in –40°C dewpoint dry rooms with around 126 ppm water. Consequently, the moisture stability of sulfide SSEs must be addressed if the manufacture of solid-state batteries based on sulfide SSEs is to be scaled up. Here, we are the first to characterize the moisture stability of sulfide SSEs according to both H 2 S and the degradation of ionic conductivity at different moisture setpoints ranging from –76°C to –40°C dewpoint. A variety of different SSE compositions are studied; namely, (Li 2 S) 75 (P 2 S 5 ) 25 , (Li 2 S) 70 (P 2 S 5 ) 30 , (Li 2 O) 7 (Li 2 S) 68 (P 2 S 5 ) 25 , (Li 2 O) 7 (Li 2 S) 63 (P 2 S 5 ) 30 , and (Li 2 S) 75 (P 2 S 5 ) 25 + 20 mol% LiI. We find that moisture stability improves with 75 mol% Li2S modifier content and the introduction of a Li 2 O co-modifier. After a 30 min exposure in a –40°C dewpoint dry room environment we found that (Li 2 S) 75 (P 2 S 5 ) 25 + 20 mol% LiI powder generated 0.1 cc/g H 2 S and its ionic conductivity decreased by over 50%. However, when SSE powder was exposed as a slurry in a dodecane carrier the same SSE composition generated 0 cc/g H 2 S and its ionic conductivity only dropped by 14%. Our results show that sulfide SSEs have acceptable moisture stability when appropriately processed in a dry room environment.

25 ENERGY STORAGE↗
DOE OSTI2020

Analyzing Impact of Distributed PV Generation on Integrated Transmission & Distribution System Voltage Stability—A Graph Trace Analysis Based Approach

The use of a Graph Trace Analysis (GTA)-based power flow for analyzing the voltage stability of integrated Transmission and Distribution (T&D) networks is discussed in the context of distributed Photovoltaic (PV) generation. The voltage stability of lines and the load carrying capability of buses is analyzed at various PV penetration levels. It is shown that as the PV generation levels increase, an increase in the steady state voltage stability of the system is observed. Moreover, within certain regions of stability margin changes, changes in voltage stability margins of transmission lines are shown to be linearly related to changes in the loading of the lines. Two case studies are presented, where one case study involves a model with eight voltage levels and 784,000 nodes. In one case study, a voltage-stability heat map is used to demonstrate the identification of weak lines and buses.

14 SOLAR ENERGY↗
DOE OSTI2022

Stability analysis of a one-dimensional multiphysics model of a molten salt fast reactor

Reactor designs with a fast neutron spectrum have recently moved into the research focus for possible Generation IV reactor concepts - a representative of which is the molten salt fast reactor (MSFR). In order to assess the safety and reliability of this reactor concept, it is necessary to obtain knowledge of the system behaviour. An important part of this research concerns the dynamical stability of the MSFR. Research regarding the MSFR stability so far has either been using linearized models for stability criteria or only been examining certain transients at fixed parameter values. This work delivers a comprehensive stability analysis for a non-linearized MSFR model, and a wide range of values for all relevant parameters. For this purpose, a one-dimensional MSFR model was set up, taking neutron kinetics and thermal hydraulics in the form of a system of differential equations into account. The stability of this model was investigated by means of the numerical tool MATCONT, which was used to monitor the evolution of a so-called fixed-point solution, here referring to the steady state at operating conditions of the system, while system parameters got varied. The MATCONT analyses showed no loss of stability for any of the considered parameter variations and no solutions that might co-exist in parallel with the steady-state fixed-point solution. Therefore these results indicate a stable fixed point to which all solution transients converge, making the considered MSFR model insusceptible to deviations from the equilibrium. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Interphase Stabilization of LiNi 0.5 Mn 1.5 O 4 Cathode for 5 V–Class All–Solid–State Batteries

Employing high voltage cobalt-free spinel LiNi 0.5 Mn 1.5 O 4 (LNMO) as a cathode is promising for high energy density and cost-effectiveness, but it has challenges in all-solid-state batteries (ASSBs). Here, it is revealed that the limitation of lithium argyrodite sulfide solid electrolyte (Li 6 PS 5 Cl) with the LNMO cathode is due to the intrinsic chemical incompatibility and poor oxidative stability. Through a careful analysis of the interphase of LNMO, it is elucidated that even the halide solid electrolyte (Li 3 InCl 6 ) with high oxidative stability can be decomposed to form resistive interphase layers with LNMO in ASSBs. Interestingly, with Fe-doping and a Li 3 PO 4 protective layer coating, LNMO with Li 3 InCl 6 displays stable cycle performance with a stabilized interphase at a high voltage (≈4.7 V) in ASSBs. The enhanced interfacial stability with the extended electrochemical stability window through doping and coating enables high electrochemical stability with LNMO in ASSBs. Furthermore, this work provides guidance for employing high-voltage cathodes in ASSBs and highlights the importance of stable interphases to enable stable cycling in ASSBs.

25 ENERGY STORAGE↗
DOE OSTI2023

On a fully-implicit VMS-stabilized FE formulation for low Mach number compressible resistive MHD with application to MCF

This study presents the development and evaluation of a fully-implicit variational multiscale (VMS) stabilized unstructured finite element (FE) formulation for compressible magnetohydrodynamics (MHD) model, at low Mach number regime. The model describes the dynamics of a compressible conducting fluid in the low Mach number limit in the presence of electromagnetic fields and can be used to study aspects of astrophysical phenomena, important science and technology applications, and basic plasma physics phenomena. The specific applications that motivate this study are macroscopic simulations of the longer time-scale stability and disruptions of magnetic confinement fusion (MCF) devices, specifically the ITER tokamak. The discussion considers the development of the VMS FE representation, the structure of the stabilizing terms that deal with significant convective flows, the stabilization of the nearly incompressible response of the fluid flow, and the stabilization of the constraint that enforces the solenoidal involution on the magnetic field. The nonlinear discretized system is solved with scalable preconditioned Newton–Krylov iterative methods, which employs a multiphysics block preconditioning method based on approximate block factorizations and Schur complements. The study presents an evaluation of the VMS method on a 2D cartesian tearing mode instability, and illustrates the scalability of the solvers on MCF relevant problems. A set of results are also presented for longer time-scale stability and disruptions for the ITER tokamak. These include a vertical displacement event (VDE), and a (1,1) internal kink mode. Here, the formulation is demonstrated to be scalable and also reasonably robust with respect to the Lundquist number scaling.

42 ENGINEERING↗
DOE OSTI2020

Efficient and robust stability analysis in the internal energy, volume, and moles (UVN) space

Hydrodynamic simulation of fluids in vessels is often based on the internal energy (U), volume (V), and the number of moles of all components ( re N = N 1 , N 2 , ..., N n ) as the working variables to determine the thermodynamic state by finding the global maximum of entropy. The procedure of finding the equilibrium state may be divided into two steps: stability analysis and phase-split computations. Stability analysis is performed first, and the phase-split computation proceeds if the system is unstable. Most of the past work on UVN space has been based on phase-split computations, while the stability analysis is barely investigated. Furthermore, previous studies for the stability analysis use only Newton's method to solve the non-linear algebraic equations. We present an efficient and robust approach for stability analysis where UVN is specified. The successive substitution iteration (SSI) is used to provide good initial guesses for Newton's method. The proposed approach results in a reduced number of unknowns and does not require a large number of iterations to achieve convergence in Newton's method. Overall, our proposed formulation is compatible with different equations of state and is applicable to both pure component and multi-components. The robustness and efficiency of the algorithm for stability analysis are demonstrated in various examples.

02 PETROLEUM↗
DOE OSTI2020

Uncertainty evaluation for twist drilling stability model

This paper describes the first uncertainty analysis for drilling stability using a frequency-domain drilling stability model. The stability model inputs include: the modal parameters for the torsional-axial vibration mode from the twist drill-holder-spindle axial frequency response function; and the mechanistic coefficients that relate the torque and thrust force to chip area for the selected drill-workpiece material combination. Furthermore, Monte Carlo simulation is applied to propagate the input uncertainties to output uncertainty in the predicted stability map, which separates stable from unstable (chatter) zones in the spindle speed-chip width parameter space. Additionally, the mean stability boundary and its 95% confidence intervals are determined for five cases: varying all four inputs simultaneously and varying them individually. This enables the individual sensitivities to be compared. Experimental results from drilling tests are included for comparison to the prediction. Additionally, Matlab code is provided to implement the stability model and Monte Carlo uncertainty analysis.

42 ENGINEERING↗
DOE OSTI2023

Experimental Investigation of Thermodynamic Stabilization in Boron Imidazolate Frameworks (BIFs) Synthesized by Mechanochemistry

This study experimentally explores the energetics for the formation of boron–imidazolate frameworks (BIFs), which are synthesized by mechanochemistry. The topologically similar frameworks employ the same tetratopic linker based on tetrakis(imidazolyl)boric acid but differ in the monovalent cation metal nodes. This permits assessment of the stabilizing effect of metal nodes in frameworks with sodalite (SOD) and diamondoid (dia) topologies. The enthalpy of formation from endmembers (metal oxide and linker), which define thermodynamic stability of the structures, has been determined by use of acid solution calorimetry. The results show that heavier metal atoms in the node promote greater energetic stabilization of denser structures. Overall, in BIFs the relation between cation descriptors (ionic radius and electronegativity) and thermodynamic stability depends on framework topology. Thermodynamic stability increases with the metallic character of the cation employed as the metal node, independent of the framework topology. In conclusion, the results suggest unifying aspects for thermodynamic stabilization across MOF systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Improving the Thermal Stability of NMC 622 Li-Ion Battery Cathodes through Doping During Coprecipitation

Increasing the Ni content of LiNi x MnyCo 1-x-y O 2 (NMC) cathodes can increase the capacity, but additional stability is needed to improve safety and longevity characteristics. In order to achieve this improved stability, Mg and Zr were added during the coprecipitation to uniformly dope the final cathode material. These dopants reduced the capacity of the material to some extent, depending on the concentration and calcination temperature. However, these dopants can impart substantial stabilization. It was found that the degree of stabilization is strongly dependent on the calcination temperature of the material. In addition, we used synchrotron X-ray diffraction during thermal breakdown to better understand why the different dopants impact the thermal stability and confirm the stabilization effects of the dopants.

25 ENERGY STORAGE↗
DOE OSTI2023

Assessing the Robustness of Arctic Sea Ice Bi‐Stability in the Presence of Atmospheric Feedbacks

Abstract Arctic sea‐ice loss is influenced by multiple positive feedbacks, sparking concerns of accelerated loss in the coming years or even a tipping point, where a sea‐ice equilibrium disappears at a given CO 2 value and sea ice rapidly evolves to a new steady state. Such a tipping point would imply a bi‐stability of the Arctic climate—where multiple steady‐state Arctic climates are possible at the same CO 2 value. Previous works have sought to establish the existence of bi‐stability using a range of models, from zero‐dimensional sea ice thermodynamic models to fully coupled global climate models, with conflicting results. Here, we present a new model of the Arctic that includes both sea‐ice thermodynamics and key atmospheric feedbacks in a simple framework. We exploit the model's simplicity to identify physical mechanisms that control the timing and extent of sea‐ice bi‐stability, and the abruptness of ice loss. We show that longwave radiation feedbacks can have a strong influence on Arctic surface climate from atmospheric temperature increases alone, even without major contributions from clear‐sky moisture or convective clouds suggested previously. While winter sea‐ice bi‐stability is robust to changes in uncertain model parameters in this study, summer sea ice is more sensitive. Finally, our model indicates that positive feedbacks may modulate the CO 2 threshold of sea‐ice loss and the width of bi‐stability much more strongly than the abruptness of loss. These results lead to a comprehensive understanding of the conditions that favor Arctic sea‐ice bi‐stability, particularly the role of atmospheric feedbacks, in both future and past climates.

Meteorology & Atmospheric Sciences↗
DOE OSTI2021

Global relationships between crop diversity and nutritional stability

Nutritional stability – a food system’s capacity to provide sufficient nutrients despite disturbance – is an important, yet challenging to measure outcome of diversified agriculture. Using 55 years of data across 184 countries, we assemble 22,000 bipartite crop-nutrient networks to quantify nutritional stability by simulating crop and nutrient loss in a country, and assess its relationship to crop diversity across regions, over time and between imports versus in country production. We find a positive, saturating relationship between crop diversity and nutritional stability across countries, but also show that over time nutritional stability remained stagnant or decreased in all regions except Asia. These results are attributable to diminishing returns on crop diversity, with recent gains in crop diversity among crops with fewer nutrients, or with nutrients already in a country’s food system. Finally, imports are positively associated with crop diversity and nutritional stability, indicating that many countries’ nutritional stability is market exposed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization

Abstract HIV-1 capsid (CA) stability is important for viral replication. E45A and P38A mutations enhance and reduce core stability, thus impairing infectivity. Second-site mutations R132T and T216I rescue infectivity. Capsid lattice stability was studied by solving seven crystal structures (in native background), including P38A, P38A/T216I, E45A, E45A/R132T CA, using molecular dynamics simulations of lattices, cryo-electron microscopy of assemblies, time-resolved imaging of uncoating, biophysical and biochemical characterization of assembly and stability. We report pronounced and subtle, short- and long-range rearrangements: (1) A38 destabilized hexamers by loosening interactions between flanking CA protomers in P38A but not P38A/T216I structures. (2) Two E45A structures showed unexpected stabilizing CA NTD -CA NTD inter-hexamer interactions, variable R18-ring pore sizes, and flipped N-terminal β-hairpin. (3) Altered conformations of E45A a α9-helices compared to WT, E45A/R132T, WT PF74 , WT Nup153 , and WT CPSF6 decreased PF74, CPSF6, and Nup153 binding, and was reversed in E45A/R132T. (4) An environmentally sensitive electrostatic repulsion between E45 and D51 affected lattice stability, flexibility, ion and water permeabilities, electrostatics, and recognition of host factors.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Combining artificial intelligence and physics-based modeling to directly assess atomic site stabilities: from sub-nanometer clusters to extended surfaces

The performance of functional materials is dictated by chemical and structural properties of individual atomic sites. In catalysts, for instance, the thermodynamic stability of constituting atomic sites is a key descriptor from which more complex properties, such as molecular adsorption energies and reaction rates, can be derived. In this study, we present a widely applicable machine learning (ML) approach to instantaneously compute the stability of individual atomic sites in structurally and electronically complex nano-materials. Conventionally, we determine such site stabilities using computationally intensive first-principles calculations. With our approach, we predict the stability of atomic sites in sub-nanometer metal clusters of 3–55 atoms with mean absolute errors in the range of 0.11–0.14 eV. To extract physical insights from the ML model, we introduce a genetic algorithm (GA) for feature selection. This algorithm distills the key structural and chemical properties governing the stability of atomic sites in size-selected nanoparticles, allowing for physical interpretability of the models and revealing structure–property relationships. The results of the GA are generally model and materials specific. In the limit of large nanoparticles, the GA identifies features consistent with physics-based models for metal–metal interactions. By combining the ML model with the physics-based model, we predict atomic site stabilities in real time for structures ranging from sub-nanometer metal clusters (3–55 atom) to larger nanoparticles (147 to 309 atoms) to extended surfaces using a physically interpretable framework. Finally, we present a proof of principle showcasing how our approach can determine stable and active nanocatalysts across a generic materials space of structure and composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Tailoring capping-layer composition for improved stability of mixed-halide perovskites

Incorporating a low dimensional (LD) perovskite capping layer on top of a perovskite absorber, improves the stability of perovskite solar cells (PSCs). However, in the case of mixed-halide perovskites, which can undergo halide segregation into single-halide perovskites, a systematic study of the capping layer's effect on mixed-halide perovskite absorber is still lacking. This study bridges this gap by investigating how the 1D perovskite capping layers on top of MAPb(I x Br 1–x ) 3 (x = 0, 0.25, 0.5, 0.75, 1) absorbers affect the films' stability. We utilize a new method, dissimilarity matrix, to investigate the image-based stability performance of capping-absorber pair compositions across time. This method overcomes the challenge of analyzing various film colors due to bandgap difference in mixed-halide perovskites. We also discover that the intrinsic absorber stability plays an important role in the overall stability outcome, despite the capping layer's support. Within the 55 unique capping-absorber pairs, we observe a notable 1D perovskite material, 1-methoxynaphthalene-2-ethylammonium chloride (2MeO–NEA–Cl or 9-Cl), that improves the stability of MAPbI 3 and MAPb(I 0.5 Br 0.5 ) 3 by at least 8 and 1.5 times, respectively, compared to bare films under elevated humidity and temperature. Surface photovoltage results also show that the accumulation of electrostatic charges on the film surface depends on the capping layer type, which could contribute to the acceleration/deceleration of degradation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The solution structures and relative stability constants of lanthanide–EDTA complexes predicted from computation

Ligand selectivity to specific lanthanide (Ln) ions is key to the separation of rare earth elements from each other. Ligand selectivity can be quantified with relative stability constants (measured experimentally) or relative binding energies (calculated computationally). The relative stability constants of EDTA (ethylenediaminetetraacetic acid) with La 3+ , Eu 3+ , Gd 3+ , and Lu 3+ were predicted from relative binding energies, which were quantified using electronic structure calculations with relativistic effects and based on the molecular structures of Ln–EDTA complexes in solution from density functional theory molecular dynamics simulations. The protonation state of an EDTA amine group was varied to study pH ~7 and ~11 conditions. Further, simulations at 25 °C and 90 °C were performed to elucidate how structures of Ln–EDTA complexes varying with temperature are related to complex stabilities at different pH conditions. Relative stability trends are predicted from computation for varying Ln 3+ ions (La, Eu, Gd, Lu) with a single ligand (EDTA at pH ~11), as well as for a single Ln 3+ ion (La) with varying ligands (EDTA at pH ~7 and ~11). Changing the protonation state of an EDTA amine site significantly changes the solution structure of the Ln–EDTA complex resulting in a reduction of the complex stability. As a result, increased Ln–ligand complex stability is correlated to reduced structural variations in solution upon an increase in temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗