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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Third-body stabilization of supercritical CO 2 in CO oxidation: development and application of a ReaxFF force field for the CO/O/CO 2 system

Supercritical CO 2 (scCO 2 ) plays a crucial role as a solvent in separation processes, advanced power cycles, and materials processing. Nonetheless, the atomistic comprehension of how the dense scCO 2 matrix influences the fundamental reaction of carbon monoxide (CO) is still insufficiently explored. Experimental studies and molecular dynamics (MD) simulations frequently fail to detect the highly reactive, transient intermediates, such as atomic oxygen (O), that drive these reactions. Here, to address this issue, we have developed a novel ReaxFF reactive force field for the CO 2 /CO/O system. The force field parameters were calibrated using density functional theory and second-order Møller-Plesset calculations to model CO 2 crystal properties, intermolecular interactions, bond dissociation curves, and reaction energy barriers. The force field reproduces the cohesive energy of the CO 2 crystal, the pressure characteristics of bulk scCO 2 , the equation-of-state behavior over a wide pressure–density range, the pressure dependence of the C–O bond length under compression, and the structural properties of liquid and scCO 2 , as documented by experiments, ab-initio MD, and prominent non-reactive models. The force field was subsequently applied to study the CO + O → CO 2 reaction. In a dilute environment, the reaction is inefficient as the newly formed CO 2 rapidly dissociates due to excess kinetic and potential energy acquired from the exothermic reaction. Conversely, in a dense scCO 2 environment, the surrounding matrix acts as an efficient third body, stabilizing the emerging CO2 product via molecular collisions. Statistical analysis confirms an average excess energy dissipation of 133.9 ± 3.6 kcal/mol over 112.4 ± 17.9 ps. Kinetic energy decomposition reveals that ∼ 92% of the excess kinetic energy is stored in internal (rotational and vibrational) degrees of freedom. This ReaxFF force field establishes a mechanistic foundation for third-body stabilization in dense reactive environments.

Chowdhury, Emdadul Haque [Pennsylvania State Univ.↗
NASA NTRS2012

Flight Test Results on the Stability and Control of the F-15 Quiet Spike(TradeMark) Aircraft

The Quiet Spike F-15B flight research program investigated supersonic shock reduction using a 24-ft sub-scale telescoping nose boom on an F-15B airplane. The program primary flight test objective was to collect flight data for aerodynamic and structural models validation up to 1.8 Mach. Other objectives were to validate the mechanical feasibility of a morphing fuselage at the operational conditions and determine the near-field shock wave characterization. The stability and controls objectives were to assess the effect of the spike on the stability, controllability, and handling qualities of the aircraft and to ensure adequate stability margins across the entire research flight envelop. The two main stability and controls issues were the effects of the telescoping nose boom influenced aerodynamics on the F-15B aircraft flight dynamics and air data and angle of attack sensors. This paper reports on the stability and controls flight envelope clearance methods and flight test analysis of the F-15B Quiet Spike. Brief pilot commentary on typical piloting tasks, approach and landing, refueling task, and air data sensitivity to the flight control system are also discussed in this report.

Moua, Cheng M.↗
NASA NTRS2015

Solid Rocket Motor Combustion Instability Modeling in COMSOL Multiphysics

Combustion instability modeling of Solid Rocket Motors (SRM) remains a topic of active research. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process, acoustics, and steady-state gas dynamics. Recent advances in defining the energy transport of disturbances within steady flow-fields have been applied by combustion stability modelers to improve the analysis framework. Employing this more accurate global energy balance requires a higher fidelity model of the SRM flow-field and acoustic mode shapes. The current industry standard analysis tool utilizes a one dimensional analysis of the time dependent fluid dynamics along with a quasi-three dimensional propellant grain regression model to determine the SRM ballistics. The code then couples with another application that calculates the eigenvalues of the one dimensional homogenous wave equation. The mean flow parameters and acoustic normal modes are coupled to evaluate the stability theory developed and popularized by Culick. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The current study employs the COMSOL Multiphysics finite element framework to model the steady flow-field parameters and acoustic normal modes of a generic SRM. This work builds upon previous efforts to verify the use of the acoustic velocity potential equation (AVPE) laid out by Campos. The acoustic velocity potential (psi) describing the acoustic wave motion in the presence of an inhomogeneous steady high-speed flow is defined by, del squared psi - (lambda/c) squared psi - M x [M x del((del)(psi))] - 2((lambda)(M)/c + M x del(M) x (del)(psi) - 2(lambda)(psi)[M x del(1/c)] = 0. with M as the Mach vector, c as the speed of sound, and λ as the complex eigenvalue. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluates the gas flow inside of a SRM using St. Robert's law to model the solid propellant burn rate, slip boundary conditions, and the supersonic outflow condition. Results from the HMNF model are verified by comparing the pertinent ballistics parameters with the industry standard code outputs (i.e. pressure drop, axial velocity, exit velocity). These results are then used by the coefficient form of the mathematics module to determine the complex eigenvalues of the AVPE. The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. The one way coupled analysis is perform four times utilizing geometries determined through traditional SRM modeling procedures. The results of the steady-state CFD and AVPE analyses are used to calculate the linear acoustic growth rate as is defined by Flandro and Jacob. In order to verify the process implemented within COMSOL we first employ the Culick theory and compare the results with the industry standard. After the process is verified, the Flandro/Jacob energy balance theory is employed and results displayed.

Fischbach, S. R.↗
NASA NTRS1982

Stability of negatively charged dust grains in Saturn's ring plane

The boundary between the inner and outer parts of Saturn's B ring is located at the theoretical limit of stability of dust grains with large negative charge to mass ratio. A grain inside of this stability limit will move along magnetic field lines and strike Saturn if given a slight velocity component normal to the ring plane. Outside of this marginal stability radius, a perturbed grain merely oscillates back and forth through the ring plane. The theoretical location of the marginal stability radius is at 1.625 Saturn radius. Observations by Pioneer 11 and Voyager 2 in the infared see the boundary as a prominent change in ring brightness at this radius. The occultation of delta-Scorpii by the rings in the ultraviolet seen by Voyager 2 shows about a factor of two change in optical depth beginning very close to this radius.

Northrop, T. G.↗
NASA NTRS1984

The effect of line-tying on the radiative MHD stability of coronal plasmas with radial pressure profile

The role of photospheric line-tying, i.e., solar coronal loop structures, was investigated in terms of the effect on radiative modes and the influence that different radial pressure profiles exert on the effects of line-tying on radiative MHD stability. Energy is assumed dissipated by heat conduction and radiation and zero- and first-order solutions are obtained for the radiative time scales. Line-tying is a magnetic tension in the zero-order MHD mode and produces stability. Heat conduction occurs along bent field lines in first-order MHD modes when plasmas cross the field lines. Irradiated cool-core loops can experience MHD instabilities in the cylinder center, while line-tying can stabilize the plasma in the surrounding hot medium. Line-tying also adds stability to magnetosonic and condensation modes.

An, C.-H.↗
NASA NTRS1996

High Spatial Resolution Investigations of Microchannel Plate Imaging Properties for UV Detectors

Microchannel plate (MCP) photon counting detectors are currently being used with great success on many of the recent NASA/ESA ultraviolet (UV) astrophysics missions that make observations in the 1OO A - 1600 A range. These include HUT, the Wide Field Camera on ROSAT, EUVE, ALEXIS, ORFEUS, and SOHO. These devices have also been chosen to fly on future UV astrophysics missions such as FUSE, FUVITA, IMAGE, and both the HST STIS and Advanced Camera instruments. During the period of this award we have fabricated a dual-chamber vacuum test facility to carry out laboratory testing of detector resolution, image stability and linearity, and flat field performance to enable us to characterize the performance of MCPs and their associated read-out architectures. We have also fabricated and tested a laboratory 'test-bed' delay line detector, which can accommodate MCP's with a wide range of formats and run at high data rates, to continue our studies of MCP image fixed pattern noise, and particularly for new small pore MCP's which have recently come onto the market. These tests were mainly focussed on the assessment of cross delay-line (XDL) and double delay line (DDL) anode read-out schemes, with particular attention being focussed on flat-field and spatial resolution performance.

Siegmund, Oswald↗
NASA NTRS1985

Generation and development of small-amplitude disturbances in a laminar boundary layer in the presence of an acoustic field

A low-turbulence subsonic wind tunnel was used to study the influence of acoustic disturbances on the development of small sinusoidal oscillations (Tollmien-Schlichting waves) which constitute the initial phase of turbulent transition. It is found that acoustic waves propagating opposite to the flow generate vibrations of the model (plate) in the flow. Neither the plate vibrations nor the acoustic field itself have any appreciable influence on the stability of the laminar boundary layer. The influence of an acoustic field on laminar boundary layer disturbances is limited to the generation of Tollmien-Schlichting waves at the leading-edge of the plate.

Kachanov, Y. S.↗
DOE OSTI2026

Chemical factors controlling the behaviour of oxide cathodes in batteries

Oxide cathodes enable high-energy lithium-ion and sodium-ion batteries, with their performances fundamentally governed by three interrelated chemical factors: electronic configuration, chemical bonding, and chemical reactivity. Here, we illustrate how these factors dictate the redox energy, structural stability, ionic and electronic transport, and interfacial behavior in both layered oxide and polyanion oxide cathodes. We discuss how crystal-field effects and octahedral-site stabilization energies influence cation migration, and how inductive effects tune bond covalency and operating voltages. We also explain how chemical bonding governs thermal stability, gas evolution, and first-cycle capacity loss, and how alignment of transition-metal redox band with the oxygen 2p band determines electrolyte reactivity. Comparison between lithium and sodium layered oxides further reveals how differences in Li-O and Na-O bond ionicity affect chemical reactivity. Finally, we outline strategies including compositional tuning, surface doping, and electrolyte optimization, and emphasize how high-throughput, data-driven approaches in guiding the design of next-generation oxide cathodes.

25 ENERGY STORAGE↗
DOE OSTI2023

Electron-field instability: Excitation of electron plasma waves by an electric field

Electric fields are commonplace in plasmas and affect transport by driving currents and, in some cases, instabilities. The necessary condition for instability in collisionless plasmas is commonly understood to be described by the Penrose criterion, which quantifies a sufficient relative drift between different populations of particles that must be present for wave amplification via inverse Landau damping. For example, electric fields generate drifts between electrons and ions that can excite the ion-acoustic instability. Here, we use particle-in-cell simulations and linear stability analysis to show that the electric field can drive a fundamentally different type of kinetic instability, named the electron-field instability. This instability excites electron plasma waves with wavelengths ≳30λ De , has a growth rate that is proportional to the electric field strength, and does not require a relative drift between electrons and ions. The Penrose criterion does not apply when accounting for the electric field. Furthermore, the large value of the observed frequency, near the electron plasma frequency, further distinguishes it from the standard ion-acoustic instability, which oscillates near the ion plasma frequency. The ubiquity of macroscopic electric fields in quasineutral plasmas suggests that this instability is possible in a host of systems, including low-temperature and space plasmas. In fact, damping from neutral collisions in such systems is often not enough to completely damp the instability, adding to the robustness of the instability across plasma conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1977

The thermoremanence hypothesis and the origin of magnetization in iron meteorites

The intensity, relative stability and directional behavior in alternating field demagnetization of natural, saturation, thermal and spontaneous magnetization were studied for a variety of iron meteorites. Results show that remanence and relative stability increase from the coarser to the finer-grained samples. In addition, natural remanent magnetization coercivity spectra are found to soften with coarsening of the grain size. The link between fine structure and magnetization direction in octahedrites is also discussed. The combined effect of magnetocrystalline- and shape-anisotropy of the crystallographically ordered ferromagnetic kamacite alpha-phase renders the iron meteorites of little use for the study of ancient solar system fields.

Brecher, A.↗
NASA NTRS1984

The application of satellite data to study the effects of latent heat release on cyclones

Generalized energetics were studied for nonlinear inviscid symmetric instability (SI). It was found that the linear theory fails to predict the stability in certain cases where the basic state is transitional between stability and instability. The initial growth of the SI perturbations can be fairly well approximated by linear theory, but the long time nonlinear evaluations will be bonded energetically if the SI region is finite. However, a further extension of the energetics to conditional symmetric instability (CSI) shows that the nonlinear evolution of circulation will energetically depend much more on the precipitation in a complicated way. By treating the latent heat as a source which is implicitly related to the motion field, the existence, uniqueness and stability of steady viscous (CSI) circulations are studied. Viscous CSI circulations are proved to be unique and asymptotically stable when the heat sources are weak and less sensitive to the motion perturbations. By considering the fact that moist updrafts are narrow and using eddy viscosity of 0(1,000 m squared/s) the stability criterion suggests that some frontal rainbands were probably dominated by the CSI mechanism even in their mature quasi-steady stage.

Clark, J. H. E.↗
NASA NTRS1992

Advances in magnetospheric storm and substorm research - 1989-1991

Recent advances in magnetospheric storm and substorm research is reviewed, with emphasis on how the large southward fields and high velocities produced in the solar wind influence the magnetosphere and cause the enhanced transfer of energy, momentum, and mass to the magnetosphere. Overwhelming evidence indicates that the southward interplanetary magnetic field is the primary controlling factor in the generation of substorms. The immediate cause of the expansion phase onset is controversial, but the suddenness of the onset is suggestive of an instability that disrupts the cross-tail currents. Measurements increasingly suggest the region of 7-10 R sub E near midnight as the likely point of origin, but it is not clear that the long-popular tearing mode can go unstable this close to the earth, where it may be stabilized by a small northward field component.

Fairfield, D. H.↗
NASA NTRS2009

Stability of Detached Solidification

Bridgman crystal growth can be conducted in the so-called "detached" solidification regime, where the growing crystal is detached from the crucible wall. A small gap between the growing crystal and the crucible wall, of the order of 100 micrometers or less, can be maintained during the process. A meniscus is formed at the bottom of the melt between the crystal and crucible wall. Under proper conditions, growth can proceed without collapsing the meniscus. The meniscus shape plays a key role in stabilizing the process. Thermal and other process parameters can also affect the geometrical steady-state stability conditions of solidification. The dynamic stability theory of the shaped crystal growth process has been developed by Tatarchenko. It consists of finding a simplified autonomous set of differential equations for the radius, height, and possibly other process parameters. The problem then reduces to analyzing a system of first order linear differential equations for stability. Here we apply a modified version of this theory for a particular case of detached solidification. Approximate analytical formulas as well as accurate numerical values for the capillary stability coefficients are presented. They display an unexpected singularity as a function of pressure differential. A novel approach to study the thermal field effects on the crystal shape stability has been proposed. In essence, it rectifies the unphysical assumption of the model that utilizes a perturbation of the crystal radius along the axis as being instantaneous. It consists of introducing time delay effects into the mathematical description and leads, in general, to stability over a broader parameter range. We believe that this novel treatment can be advantageously implemented in stability analyses of other crystal growth techniques such as Czochralski and float zone methods.

Mazuruk, K.↗
DOE OSTI2026

Enhancing mobility and interface state engineering via UV-ozone treatment in BEOL-compatible ultrathin TiO 2 transistors

It has emerged as a potential candidate to improve the performance of monolithic-three-dimensional (M3D) integration of fused logic and memories through low-temperature in situ synthesis of high-performance metal–oxide–semiconductor (MOS) transistors. Here, we report the demonstration of the BEOL-compatible low thermal budget (350 °C) fabrication process of ultrathin-TiO2 transistors by the combination of RTA and UV-ozone treatment (RTA-UVOz). UV–ozone (UVOz) treatment of TiO2 anatase films significantly enhances stability, boosting ION current and field effect mobility (μ FE ) by two times of magnitude in TiO2 TFTs. UV ozone treatment helps to eliminate pre-existing oxygen vacancies and carbon contamination on TiO2 channels even at low temperature (100 °C), resulting in high-quality channel/dielectric interfaces with low interface states (D it ). During UVOz treatment, oxygen species (O x ) passivate the oxygen vacancies ($V$$^{2+}_{o}$), and hence low concentration of $V$$^{2+}_{o}$ would be left for ionization/de-ionization under PBS/NBS, leading to improved bias stress stability. Furthermore, the TiO 2 TFTs with thin ZrO 2 gate dielectric exhibited excellent performance including a lower subthreshold swing (SS) of 98 mV/dec with high drive I ON current ∼ 4.5 μA/μm, a high I ON /I OFF > 10 9 , and mobility μFE of 7 cm 2 /V-s under a battery powered voltage of 1 V. UV–ozone treatment enables high-performance, CMOS-compatible TiO 2 transistors with a low thermal budget, ideal for next-generation flexible, energy-efficient electronics.

BEOL↗
NASA NTRS2015

Solid Rocket Motor Combustion Instability Modeling in COMSOL Multiphysics

Combustion instability modeling of Solid Rocket Motors (SRM) remains a topic of active research. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process, acoustics, and steady-state gas dynamics. Recent advances in defining the energy transport of disturbances within steady flow-fields have been applied by combustion stability modelers to improve the analysis framework [1, 2, 3]. Employing this more accurate global energy balance requires a higher fidelity model of the SRM flow-field and acoustic mode shapes. The current industry standard analysis tool utilizes a one dimensional analysis of the time dependent fluid dynamics along with a quasi-three dimensional propellant grain regression model to determine the SRM ballistics. The code then couples with another application that calculates the eigenvalues of the one dimensional homogenous wave equation. The mean flow parameters and acoustic normal modes are coupled to evaluate the stability theory developed and popularized by Culick [4, 5]. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The current study employs the COMSOL multiphysics finite element framework to model the steady flow-field parameters and acoustic normal modes of a generic SRM. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluates the gas flow inside of a SRM using St. Robert's law to model the solid propellant burn rate, no slip boundary conditions, and the hybrid outflow condition. Results from the HMNF model are verified by comparing the pertinent ballistics parameters with the industry standard code outputs (i.e. pressure drop, thrust, ect.). These results are then used by the coefficient form of the mathematics module to determine the complex eigenvalues of the Acoustic Velocity Potential Equation (AVPE). The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. The results of the steady-state CFD and AVPE analyses are used to calculate the linear acoustic growth rate as is defined by Flandro and Jacob [2, 3]. In order to verify the process implemented within COMSOL we first employ the Culick theory and compare the results with the industry standard. After the process is verified, the Flandro/Jacob energy balance theory is employed and results displayed.

Fischbach, Sean R.↗
DOE OSTI2023

Stability of hairy black holes in shift-symmetric scalar-tensor theories via the effective field theory approach

Shift-symmetric Horndeski theories admit an interesting class of Schwarzschild-de Sitter black hole solutions exhibiting time-dependent scalar hair. The properties of these solutions may be studied via a bottom-up effective field theory (EFT) based on the background symmetries. This is in part possible by making use of a convenient coordinate choice — Lemaître-type coordinates — in which the profile of the Horndeski scalar field is linear in the relevant time coordinate. We construct this EFT, and use it to understand the stability of hairy black holes in shift-symmetric Horndeski theories, providing a set of constraints that the otherwise-free functions appearing in the Horndeski Lagrangian must satisfy in order to admit stable black hole solutions. The EFT is analyzed in the decoupling limit to understand potential sources of instability. Further, we also perform a complete analysis of the EFT with odd-parity linear perturbations around general spherically symmetric space-time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Magnetic phase diagram of (Mo 2/3 RE 1/3 ) 2 AlC, RE = Tb and Dy, studied by magnetization, specific heat, and neutron diffraction analysis

We report the results of magnetization, heat capacity, and neutron diffraction measurements on (Mo 2/3 RE 1/3 ) 2 AlC with RE = Dy and Tb. Temperature and field-dependent magnetization as well as heat capacity were measured on a powder sample and on a single crystal allowing the construction of the magnetic field-temperature phase diagram. To study the magnetic structure of each magnetic phase, we applied neutron diffraction in a magnetic field up to 6 T. For (Mo 2/3 Dy 1/3 ) 2 AlC in zero field, a spin density wave is stabilized at 16 K, with antiferromagnetic ordering at 13 K. Furthermore, we identify the coexistence of ferromagnetic and antiferromagnetic phases induced by magnetic fields for both RE = Tb and Dy. The origin of the field induced phases is resulting from the competing ferromagnetic and antiferromagnetic interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗