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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

ASTROP3 user's guide

ASTROP3 (Aeroelastic Stability and Response of Propulsion Systems) is a FORTRAN computer code developed for calculating the performance and dynamic stability (classical flutter) of single rotation propfans. Three-dimensional, subsonic aerodynamics with constant pressure panel discretization and MSC/NASTRAN finite element analysis of the blade are used to calculate the steady and unsteady aerodynamic forces. The flutter analysis is a modal based technique using motion dependent aerodynamic forces based on in-vacuum frequencies and normal modes of the individual propfan blades. The execution of ASTROP3 is illustrated through the calculation of blade performance and blade aeroelastic stability for the SR7L rotor. These calculations are representative of applications for ASTROP3. All input and output files necessary for program execution are discussed, as well as other appropriate information to aid the user in applying the program.

August, Richard↗
NASA NTRS1991

Effect of heat release on the stability of compressible reacting mixing layer

Reacting free shear layers are of fundamental importance in many industrial systems including gas turbine combustors and rockets. Efficient propulsion systems are essential for air breathing supersonic ramjets in the high Mach number range. A limiting factor in these engines is the time for fuel and oxidizer to mix in the combustion chamber; for fast mixing, the flow must be vigorously turbulent which requires the laminar flow to be unstable. Understanding the stability characteristics of compressible reacting free shear layers is, therefore, very important and may allow one to control the flow. Low speed shear layers are highly unstable but, as chemical reaction and compressibility effects tend to stabilize them, it is important to investigate the stability of high speed reacting mixing layers. The latter consists of two fluid streams containing fuel and oxidizer respectively, and the conclusions are expected to apply, with quantitative modifications, to other shear flows, e.g., jets. Since low speed reacting cases have been studied earlier, we concentrate on the effects of Mach number and heat release. We are primarily interested in solving the stability problem over a large range of Mach number and heat release. In order to understand the effect of the heat release on the stability of this flow, one must first study the characteristics of the non-reacting flow. Inviscid theory is a reliable guide for understanding stability of compressible shear flows at moderate and large Reynolds numbers and is the basis for this work.

Shin, Dong-Shin↗
DOE OSTI2022

Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization

Enhancing the thermostability of enzymes without impacting their catalytic function represents an important yet challenging goal in protein engineering and biocatalysis. We recently introduced a novel method for enzyme thermostabilization that relies on the computationally guided installation of genetically encoded thioether “staples” into a protein via cysteine alkylation with the noncanonical amino acid O-2-bromoethyl tyrosine (O2beY). Here, we demonstrate the functionality of an expanded set of electrophilic amino acids featuring chloroacetamido, acrylamido, and vinylsulfonamido side-chain groups for protein stapling using this strategy. Using a myoglobin-based cyclopropanase as a model enzyme, our studies show that covalent stapling with pchloroacetamido-phenylalanine (pCaaF) provides higher stapling efficiency and enhanced stability (thermodynamic and kinetic) compared to the other stapled variants and the parent protein. Interestingly, molecular simulations of conformational flexibility of the cross-links show that the pCaaF staple allows fewer energetically feasible conformers than the other staples, and this property may be a broader indicator of stability enhancement. Using this strategy, pCaaF-stapled variants with significantly enhanced stability against thermal denaturation (ΔT m ' = +27 °C) and temperature-induced heme loss (ΔT 50 = +30 °C) were obtained while maintaining high levels of catalytic activity and stereoselectivity. Crystallographic analyses of singly and doubly stapled variants provide key insights into the structural basis for stabilization, which includes both direct interactions of the staples with protein residues and indirect interactions through adjacent residues involved in heme binding. This work expands the toolbox of protein stapling strategies available for protein stabilization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Dynamic Stability Analysis of Blunt Body Entry Vehicles Using Time-Lagged Aftbody Pitching Moments

This analysis defines an analytic model for the pitching motion of blunt bodies during atmospheric entry. The proposed model is independent of the pitch damping sum coefficient present in the standard formulation of the equations of motion describing pitch oscillations of a decelerating blunt body, instead using the principle of a time-lagged aftbody moment as the forcing function for oscillation divergence. Four parameters, all with intuitive physical relevance, are introduced to fully define the aftbody moment and the associated time delay. It is shown that the dynamic oscillation responses typical to blunt bodies can be produced using hysteresis of the aftbody moment in place of the pitch damping coefficient. The approach used in this investigation is shown to be useful in understanding the governing physical mechanisms for blunt body dynamic stability and in guiding vehicle and mission design requirements. A validation case study using simulated ballistic range test data is conducted. From this, parameter identification is carried out through the use of a least squares optimizing routine. Results show good agreement with the limited existing literature for the parameters identified, suggesting that the model proposed could be validated by an experimental ballistic range test series. The trajectories produced by the identified parameters were found to match closely those from the MER ballistic range tests for a wide array of initial conditions and can be identified with a reasonable number of ballistic range shots and computational effort.

Supersonic↗
DOE OSTI2025

Navigating thermal stability intricacies of high-nickel cathodes for high-energy lithium batteries

High-nickel oxide cathodes, LiNi x M 1−x O 2 (x ≥ 0.8), are preferred in automotive lithium batteries, but they face thermal instability challenges. Inconsistent literature reports and unstandardized testing protocols further complicate quantitative assessments of the thermal stability of these cathodes. Here, we present here a statistical thermal analysis based on the differential scanning calorimetry measurements of 15 representative cathode materials with different compositions, morphologies and states of charge. The findings reveal that each cathode has a critical state of charge that defines its safe operating limit, which is affected by the metal–oxygen bond strength and surface reactivity. The thermal runaway temperature is dictated by the layered Li 1−x NiO 2 to LiNi 2 O 4 spinel-like phase transition, which is thermodynamically determined by the metal–oxygen bond covalency and kinetically influenced by the cation mixing and particle size. Raman spectroscopy is used to predict the thermal runaway temperature on the basis of the linear relationship between them. Finally, we propose a thermal stability index to quantify cathode thermal stability as a guide for developing safer high-nickel cathodes.

batteries↗
DOE OSTI2024

Cryogenic platform to investigate strong microwave cavity-spin coupling in correlated magnetic materials

We present a comprehensive exploration of loop-gap resonators for electron spin resonance (ESR) studies, enabling investigations into the hybridization of solid-state magnetic materials with microwave polariton modes. The experimental setup, implemented in a Physical Property Measurement System by Quantum Design, allows for measurements of ESR spectra at temperatures as low as 2 Kelvin. The versatility of continuous wave ESR spectroscopy is demonstrated through experiments on CuSO 4 •5H 2 O and MgCr 2 O 4 , showcasing the g-tensor and magnetic susceptibilities of these materials. The study delves into the challenges of fitting spectra under strong hybridization conditions and underscores the significance of proper calibration and stabilization. The detailed guide provided serves as a valuable resource for laboratories interested in exploring hybrid quantum systems through microwave resonators.

electron spin resonance spectroscopy↗
NASA NTRS1979

Space Telescope fine guidance - A design for manufacturability

The NASA Space Telescope (ST) is a 2.4-m aperture, f/24 Ritchey-Chretien telescope coupled to five on-board astronomical scientific packages. The very accurate line-of-sight stability required by ST during operating periods of up to 24 hours is maintained by the Pointing Control System whose optical system, the Fine Guidance Subsystem (FGS), is described. The Pointing Control System includes three identical FGSs, any two of which provide line-of-sight stabilization by tracking guide stars while the third performs astrometry. The optical system for the ST FGS performs the field aberration correction within the FGS near a pupil plane measuring only 52.7 mm. The design is simple and easily corrected, and offers substantial advantages over the traditional approach in terms of manufacturability.

Friedman, I.↗
NASA NTRS1991

The Mees CCD imaging spectrograph

The Mees CCD (MCCD0 instrument is an imaging spectroscopy device which uses the 25-cm coronagraph telescope and the 3.0-m Coude spectrograph at Mees Solar Observatory on Haleakala, Maui. The instrument works with resolving power up to about 200,000 with significant throughput from 3934 A (Ca II K) to about 10,000 A. A fast guiding active mirror stabilizes the image during observations. A rapidly writing magnetic tape storage system allows observations to be recorded at 256 kbytes/s. Currently, the MCCD is used for imaging spectroscopy of solar flares at 6563 A (H-alpha), and velocity measurements of umbral oscillations; future plans include emission line studies of active region coronae, and photospheric studies of solar oscillations.

Penn, Matthew J.↗
NASA NTRS2009

Improved Model of a Mercury Ring Damper

A short document discusses the general problem of mathematical modeling of the three-dimensional rotational dynamics of rigid bodies and of the use of Euler parameters to eliminate the singularities occasioned by the use of Euler angles in such modeling. The document goes on to characterize a Hamiltonian model, developed by the authors, that utilizes the Euler parameters and, hence, is suitable for use in computational simulations that involve arbitrary rotational motion. In this formulation unlike in prior Euler-parameter-based formulations, there are no algebraic constraints. This formulation includes a general potential energy function, incorporates a minimum set of momentum variables, and takes an explicit state-space form convenient for numerical implementation. Practical application of this formulation has been demonstrated by the development of a new and simplified model of the rotational motion of a rigid rotor to which is attached a partially filled mercury ring damper. Models like this one are used in guidance and control of spin-stabilized spacecraft and gyroscope-stabilized seekers in guided missiles.

Fahrenthold, Eric P.↗
DOE OSTI2020

Physics-guided machine learning approaches to predict the ideal stability properties of fusion plasmas

One of the biggest challenges to achieve the goal of producing fusion energy in tokamak devices is the necessity of avoiding disruptions of the plasma current due to instabilities. The disruption event characterization and forecasting (DECAF) framework has been developed in this purpose, integrating physics models of many causal events that can lead to a disruption. Two different machine learning approaches are proposed to improve the ideal magnetohydrodynamic (MHD) no-wall limit component of the kinetic stability model included in DECAF. First, a random forest regressor (RFR), was adopted to reproduce the DCON computed change in plasma potential energy without wall effects for a large database of equilibria from the national spherical torus experiment (NSTX). This tree-based method provides an analysis of the importance of each input feature, giving an insight into the underlying physics phenomena. Secondly, a fully-connected neural network has been trained on sets of calculations with the DCON code, to get an improved closed form equation of the no-wall β limit as a function of the relevant plasma parameters indicated by the RFR. The neural network has been guided by physics theory of ideal MHD in its extension outside the domain of the NSTX experimental data. The estimated value has been incorporated into the DECAF kinetic stability model and tested against a set of experimentally stable and unstable discharges. Moreover, the neural network results were used to simulate a real-time stability assessment using only quantities available in real-time. Finally, the portability of the model was investigated, showing encouraging results by testing the NSTX-trained algorithm on the mega ampere spherical tokamak (MAST).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Temperature‐Dependent Crystallization in Two‐Step Perovskite Deposition Revealed by In Situ GIWAXS and Machine Learning‐Guided Analysis

The performance and stability of perovskite solar cells are strongly governed by the crystallization behavior of their active layer. In two-step sequential deposition, early-stage film formation plays a decisive role in determining final phase purity and device quality. Guided by a data-driven analysis of nearly 39 000 devices in the FAIR perovskite database, we identified solvent-mediated quenching and thermal processing as key variables affecting power conversion efficiency (PCE), particularly in two-step fabrication. Here, to investigate these effects in real time, we designed and implemented a custom-built, temperature-controlled spin-coating system, enabling precise thermal modulation during precursor deposition. Using this platform, we performed in situ GIWAXS measurements to study the crystallization dynamics of FA 0.5 MA 0.5 PbI 3 films over a temperature range of 30°C–90°C. Our results reveal a non-monotonic relationship between spin-coating temperature and α-phase formation, governed by the interplay between precursor interdiffusion, PbI 2 crystallinity, and δ-phase suppression. The custom thermal control enabled us to isolate and quantify these competing effects during the earliest stages of film formation, providing mechanistic insight into how spin-coating temperature governs both phase purity and kinetic pathways in two-step perovskite systems. Temperature-dependent SEM and photovoltaic device measurements further demonstrate that early-stage crystallization pathways directly translate into differences in morphology, charge-transport continuity, and device performance. These findings inform targeted strategies for optimizing deposition protocols to balance rapid nucleation, phase stability, and device performance.

Saadawy, Ahmed [King Fahd University of Petroleum ↗
DOE OSTI2021

Gyrokinetic and extended-MHD simulations of a flow shear stabilized Z-pinch experiment

Axisymmetric (m = 0) gyrokinetic and extended-MHD simulations of a sheared-flow Z-pinch plasma are performed with the high-order finite volume code COGENT. The present gyrokinetic model solves the long-wavelength limit of the gyrokinetic equation for both ion and electron species coupled to the electrostatic gyro-Poisson equation for the electrostatic potential. The extended-MHD model is electromagnetic and includes the effects of the gyro-viscous pressure tensor, diamagnetic electron and ion heat fluxes, and generalized Ohm's law. Additionally, a prominent feature of this work is that the radial profiles for the plasma density and temperature are taken from the fusion Z-pinch experiment (FuZE), and the magnetic field profile is obtained as a solution of the MHD force balance equation. Such an approach allows to address realistic plasma parameters and provide insights into the current and planned experiments. In particular, it is demonstrated that the radial profiles play an important role in stabilization, as the embedded guiding center (E×B ) drift has a strong radial shear, which can contribute to the Z-pinch stabilization even in the absence of the fluid flow shear. The results of simulations for the FuZE plasma parameters show a decrease in the linear growth rate with an increase in the flow shear; however, full stabilization in the linear regime is not observed even for large (comparable to the Alfvén velocity) radial variations of the axial flow. Nonlinear stability properties of the FuZE plasmas are also studied, and it is found that profile broadening can have a pronounced stabilizing effect in the nonlinear regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

The Role of Demixing and Crystallization Kinetics on the Stability of Non‐Fullerene Organic Solar Cells

Abstract With power conversion efficiency now over 17%, a long operational lifetime is essential for the successful application of organic solar cells. However, most non‐fullerene acceptors can crystallize and destroy devices, yet the fundamental underlying thermodynamic and kinetic aspects of acceptor crystallization have received limited attention. Here, room‐temperature (RT) diffusion coefficients of 3.4 × 10 −23 and 2.0 × 10 −22 are measured for ITIC‐2Cl and ITIC‐2F, two state‐of‐the‐art non‐fullerene acceptors. The low coefficients are enough to provide for kinetic stabilization of the morphology against demixing at RT. Additionally profound differences in crystallization characteristics are discovered between ITIC‐2F and ITIC‐2Cl. The differences as observed by secondary‐ion mass spectrometry, differential scanning calorimetry (DSC), grazing‐incidence wide‐angle X‐ray scattering, and microscopy can be related directly to device degradation and are attributed to the significantly different nucleation and growth rates, with a difference in the growth rate of a factor of 12 at RT. ITIC‐4F and ITIC‐4Cl exhibit similar characteristics. The results reveal the importance of diffusion coefficients and melting enthalpies in controlling the growth rates, and that differences in halogenation can drastically change crystallization kinetics and device stability. It is furthermore delineated how low nucleation density and large growth rates can be inferred from DSC and microscopy experiments which could be used to guide molecular design for stability.

Hu, Huawei↗
DOE OSTI2021

A Bayesian Framework for Milling Stability Prediction and Reverse Parameter Identification

This paper describes a physics-guided Bayesian framework for identifying the milling stability boundary and system parameters through iterative testing. Prior uncertainties for the parameters are identified through physical simulation and literature reviews, without physical testing of the actual milling system. Those uncertainties are then propagated to the stability map using a physics-based stability model, which is used to suggest a test point. The uncertainties are updated based on the new information acquired from the cutting test to form a new probability distribution, called the posterior. Finally, the posterior are compared to measured values for the stability boundary and system parameters to evaluate the approach. Based on experimental observations, the advantages and disadvantages of using a physics-guided model are discussed.

Cornelius, Aaron↗
DOE OSTI2022

Structure-based design of prefusion-stabilized human metapneumovirus fusion proteins

The human metapneumovirus (hMPV) fusion (F) protein is essential for viral entry and is a key target of neutralizing antibodies and vaccine development. The prefusion conformation is thought to be the optimal vaccine antigen, but previously described prefusion F proteins expressed poorly and were not well stabilized. Here, we use structures of hMPV F to guide the design of 42 variants containing stabilizing substitutions. Through combinatorial addition of disulfide bonds, cavity-filling substitutions, and improved electrostatic interactions, we describe a prefusion-stabilized F protein (DS-CavEs2) that expresses at 15mg/L and has a melting temperature of 71.9°C. Crystal structures of two prefusion-stabilized hMPV F variants reveal that antigenic surfaces are largely unperturbed. Importantly, immunization of mice with DS-CavEs2 elicits significantly higher neutralizing antibody titers against hMPV A1 and B1 viruses than postfusion F. The improved properties of DS-CavEs2 will advance the development of hMPV vaccines and the isolation of therapeutic antibodies.

59 BASIC BIOLOGICAL SCIENCES↗