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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
DOE OSTI2023

Stability Criteria for Self-Propagating Reaction Waves in Co/Al Multilayers

The propagation of self-sustained formation reactions in sputter-deposited Co/Al multilayers is known to exhibit a design-dependent instability. Multilayers having thin bilayers (<55 nm period) exhibit stable propagating waves, whereas those with a larger period react unstably. The specific two-dimensional (2D) instability observed involves the transverse propagation of a band in front of a stalled front commonly referred to as a “spin band.” Previous finite-element studies have shown that these instabilities are thermodynamically driven by the forward conduction of heat away from the flame front. However, the magnitude of that loss is inherently tied to the bilayer design in traditional bimetallic multilayers, which couples any proposed stability criteria to a varying critical diffusion distance. Here, this work utilizes a recently developed class of materials known as “inert-mediated reactive multilayers” to decouple the thermodynamic and kinetic contributions to propagating wave stability by reducing the stored chemical energy density in normally stable bilayer designs. By depositing an inert product phase (B2-CoAl) within the mid-plane of Co and Al reactant layers, spin instabilities arise as a function of both diluted volume and critical diffusion distance. From there, a stability criterion is determined for Co/Al multilayers based on enthalpy loss from the reaction zone, and its physical significance is explored.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electron-ion collider transverse instabilities due to the crab cavity fundamental impedance

The electron-ion collider crab Cavities will present a significant transverse impedance to the beam. The low-level radio frequency system will have to reduce the crab cavity impedance to prevent transverse instabilities, while regulating the crabbing voltage and minimizing the radio frequency noise levels injected into the beam. This work presents an estimate of the crab cavity impedance in the presence of feedback and the resulting stability margins using simplified stability criteria. Generalized stability criteria are also presented in this work and are used to more accurately estimate stability margins.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

On the number of stable solutions in the Kuramoto model

We consider a system of n coupled oscillators described by the Kuramoto model with the dynamics given by θ˙=ω+Kf(θ). In this system, an equilibrium solution θ∗ is considered stable when ω+Kf(θ∗)=0, and the Jacobian matrix Df(θ∗) has a simple eigenvalue of zero, indicating the presence of a direction in which the oscillators can adjust their phases. Additionally, the remaining eigenvalues of Df(θ∗) are negative, indicating stability in orthogonal directions. A crucial constraint imposed on the equilibrium solution is that |Γ(θ∗)|≤π, where |Γ(θ∗)| represents the length of the shortest arc on the unit circle that contains the equilibrium solution θ∗. We provide a proof that there exists a unique solution satisfying the aforementioned stability criteria. This analysis enhances our understanding of the stability and uniqueness of these solutions, offering valuable insights into the dynamics of coupled oscillators in this system.

Arenas, Alex (ORCID:0000000309370334)↗
DOE OSTI2023

Uniform-density Bose-Einstein condensates of the Gross-Pitaevskii equation found by solving the inverse problem for the confining potential

Here, in this work, we consider a “reverse-engineering” approach to construct confining potentials that support exact, constant density kovaton solutions to the classical Gross-Pitaevskii equation (GPE) also known as the nonlinear Schr¨odinger equation (NLSE). In the one-dimensional case, the exact solution is the sum of stationary kink and anti-kink solutions, i.e. a kovaton, and in the overlapping region, the density is constant. In higher dimensions, the exact solutions are generalizations of this wave function. In the absence of self-interactions, the confining potential is similar to a smoothed out finite square well with minima also at the edges. When self-interactions are added, a term proportional to ±gψ*ψ gets added to the confining potential and ±gM, where M is the norm, gets added to the total energy. In the realm of stability analysis, we find (linearly) stable solutions in the case with repulsive self-interactions which also are stable to self-similar deformations. For attractive interactions, however, the minima at the edges of the potential get deeper and a barrier in the center forms as we increase the norm. This leads to instabilities at a critical value of M (related to the number of particles in the BEC). Comparing the stability criteria from Derrick’s theorem and Bogoliubov-de Gennes analysis stability results, we find that both predict stability for repulsive self-interactions and instability at a critical mass M for attractive interactions. However, the numerical analysis gives a much lower critical mass. The numerical analysis shows further that the initial instabilities violate the symmetry x → -x assumed by Derrick’s theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Analytical small-signal stability analysis of low-inertia power system frequency response considering secondary frequency regulation

Modern power systems are increasingly vulnerable to frequency instability as inverter-based resources (IBRs) replace synchronous machines and reduce system rotational inertia. Existing small-signal frequency stability assessment methods are either computationally intensive, relying on simulation-driven approaches, or lack analytical stability regions that explicitly account for secondary frequency response (SFR). This paper introduces new analytical frameworks that enable evaluation small-signal frequency stability while explicitly incorporating tunable IBR and SFR parameters. Using Kharitonov’s theorem with an overbounding approach, explicit small-signal stability criteria are derived. In addition, based on Białas’ criterion and Hurwitz matrix, analytical stability regions are established to reveal feasible design spaces for SFR and IBR parameters tuning. Extensive Matlab/Simulink-based simulations validate the accuracy and computational efficiency of the proposed methods, demonstrating that coordinated tuning of SFR and IBR parameters can substantially enhance system resilience. By bridging analytical rigor with practical tunability, this work provides an analytical framework for assessing small-signal frequency stability in low-inertia grids, supporting the real-time, scalable, and resilient operation of sustainable power systems.

14 SOLAR ENERGY↗
DOE OSTI2026

First-principles investigation of structure-property relationships in stable and metastable MXenes

Understanding the structure–property relationships in layered transition-metal carbides or nitrides, known as MXenes, is of critical importance for their rational design, synthesis, and application. However, the vast chemical and structural diversity of MXenes, stemming from their wide range of M and X elements, surface terminations, and different atomic coordination environments, makes it challenging to clearly understand these structure–property relationships. Here, in this work, we perform first-principles density functional theory (DFT) calculations and molecular dynamics (MD) simulations to comprehensively investigate the stability and a variety of physical properties of MXenes with different coordination environments. Using Ti- and Mo-based carbide MXenes as model systems, energetic calculations reveal that Ti-based MXenes are most stable in octahedral coordination, whereas Mo-based MXenes preferentially adopt prismatic coordination. This fundamental difference in preferred atomic coordination gives rise to markedly distinct properties between these two systems as a function of the fraction of octahedral and prismatic sites. For instance, the in-plane stiffness of Ti-based MXenes increases as octahedral coordination becomes dominant, but it decreases in the Mo-based MXenes under the same conditions. Additional stability analyses based on mechanical, lattice-dynamical, and temperature-dependent thermodynamic properties demonstrate that many metastable MXenes not only satisfy the strict stability criteria but can also undergo phase transitions among different structures and even become stabilized at elevated temperatures. Although surface terminations, such as F and O atoms, do not alter the energetic ordering or the overall stiffness trends among stable and metastable MXenes, they influence other material properties. For instance, O termination can induce semiconducting behavior in both stable and metastable Ti 2 ⁢CO 2 MXenes. This study significantly advances the fundamental understanding of structure–property relationships in MXenes and provides valuable guidance for developing coordination-based design principles to precisely engineer MXenes with improved properties.

Oyeniran, Noah [University of Alabama, Tuscaloosa,↗
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

Effects of diffusion barriers on reaction wave stability in Co/Al reactive multilayers

Bimetallic, reactive multilayers are uniformly structured materials composed of alternating sputter-deposited layers that may be ignited to produce self-propagating mixing and formation reactions. These nanolaminates are most commonly used as rapid-release heat sources. The specific chemical composition at each metal/metal interface determines the rate of mass transport in a mixing and formation reaction. The inclusion of engineered diffusion barriers at each interface will not only inhibit solid-state mixing but also may impede the self-propagating reactions by introducing instabilities to wavefront morphology. Here, this work examines the effect of adding diffusion barriers on the propagation of reaction waves in Co/Al multilayers. The Co/Al system has been shown to exhibit a reaction propagation instability that is dependent on the bilayer thickness, which allows for the occurrence of unstable modes in otherwise stable designs from the inclusion of diffusion barriers. Based on the known stability criteria in the Co/Al multilayer system, the way in which the inclusion of diffusion barriers changes a multilayer's heat of reaction, thermal conductivity, and material mixing mechanisms can be determined. These factors, in aggregate, lead to changes in the wavefront velocity and stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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 OSTI2023

Tech-X contributions to the Center for Tokamak Transients (CTTS) Scientific Discovery through Advanced Computing (SciDAC) project (Final Report)

The Center for Tokamak Transients Simulations (CTTS) consists of computational plasma physicists, computer scientists, and applied mathematicians who are together developing and applying simulation software to improve our understanding of and ability to predict and control transient events in tokamak discharges, particularly those that lead to violent disruptions. We have major simulation activities concerning disruptions that are caused by violating ideal MHD stability criteria, vertical displacement events, resistive wall modes, and tearing modes. We are performing comprehensive modeling of disruption mitigation techniques, particularly by shattered pellet injection (SPI). The Center is built around two mature extended MHD codes: NIMROD and M3D-C1. These codes are being extended in a number of ways as required by the demands of disruption modeling, and are being optimized to work well for larger problem size and modern computer architectures as required to model tokamak plasmas with realistic parameters over the required timescales. The codes will be coupled to the FronTier code for state-of-the-art modeling of SPI. Validation with experimental data on DIII-D, NSTX, and JET is being facilitated by rigorous uncertainty quantification (UQ). The high-level objectives of the center are to: (1) Develop better understanding and improved predictive capability of when crossing a linear stability boundary will likely lead to a disruption, (2) Provide a tool for calculating vessel forces, both axisymmetric and non-axisymmetric, for worst case VDE and other disruptions in tokamaks, (3) Develop increased understanding and improved predictive capability for locked mode disruptions and how best to avoid them, (4) Develop, verify, and validate 3D models for disruption mitigation by shattered pellets that can be used to design and optimize a system for future tokamaks, and (5) Increase the efficiency and scalability of the M3D-C1 and NIMROD codes so that they can model disruptions in ITER scale devices using the most powerful DOE HPC hardware, and (6) Demonstrate code-coupling via FronTier coupling with NIMROD and M3D-C1 and by interfacing these codes within a WDM framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Investigating a novel magnetic MAX phase nitride and its (001)-surfaces

We report magnetic MAX phases including their surfaces exhibit promising functional properties for magneto-electronic devices and self-monitoring smart coatings. By employing an integrated ab-initio approach, here we investigate a new member of the MAX phase, Mn 2 AuN. This compound satisfies the chemical, mechanical and dynamical stability criteria, leading to a possibility of its synthesis, and exhibits electronic and elastic anisotropy. The identified ferromagnetic configuration (with high Curie temperature) is the most energetically favorable among the five different spin configurations i.e., non-magnetic, ferromagnetic, and three anti-ferromagnetic. From the coatings perspective, the surface properties of Mn 2 AuN(001) terminations are investigated considering the four possible surface termination models. Remarkably, the magnetism does not get vanished even after cleaving the bulk unit cell into the (001)-surfaces. While evaluating the surface energetics in different chemical potentials, the N-001 terminated surface comes out to be the most stable termination contrasting with carbide MAX phases and is the only termination that exhibits the magnetic characteristics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analysis of convection heat transfer on multiscale rough superhydrophobic and liquid infused surfaces

Multiscale rough superhydrophobic or slippery liquid infused porous surfaces have gained much interest in recent years for their improved transport phenomena properties. While there have been several studies on drag reduction and condensation on non-wetting surfaces, convection heat transfer that is important in many thermal and thermochemical applications has not been addressed systematically. Here, this article utilizes a fractal description of rough surface topographies to develop analytical models for the Nusselt number and the thermal hydraulic factor for fluid flow and heat transfer inside a cylinder with non-wetting surfaces. For air-infused superhydrophobic surfaces, the model considers the dynamic stability of the air/fluid interface in the asperities. Using the analytical formulations and the stability criteria, systematic studies are presented on the effects of the fractal surface parameters, cylinder radius and Reynolds number on the convective heat transfer characteristics, from which surface texture design maps are developed for maximizing the convection heat transfer. It is shown that multiscale non-wetting surfaces are most effective in the range of lower Reynolds number and small cylinder radius for achieving the best convective heat transfer and thermal hydraulic performance. Applying the models to actual non-wetting surface topographies fabricated using electrodeposition and chemical etching, it is shown that contrary to prevailing notion, superhydrophobicity, characterized by the highest contact angles, does not always lead to the maximum convective heat transfer performance, and that under certain fluid flow conditions, hydrophobic surfaces may offer a greater thermal performance.

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

3D simulations of spinlike flames in Co/Al multilayers with enhanced conduction losses

Reactive Co/Al multilayers are uniformly structured materials that may be ignited to produce rapid and localized heating. Prior studies varying the bilayer thickness (i.e., sum of two individual layers of Co and Al) have revealed different types of flame morphologies, including: (a) steady/planar, (b) wavy/periodic, and (c) transverse bands, originating in the flame front. These instabilities resemble the “spin waves” first observed in the early studies of solid combustion (i.e., Ti cylinder in a N 2 atmosphere), and are likewise thought to be due to the balance of heat released by reaction and heat conduction forward into the unreacted multilayer. However, the multilayer geometry and three-dimensional (3D) edge effects are relatively unexplored. In this work, a new diffusion-limited reaction model for Co/Al multilayers was implemented in large, novel 3D finite element analysis (FEA) simulations, in order to study the origins of these spinlike flames. This reaction model builds upon previous work by introducing three new phase-dependent property models for: (1) the diffusion coefficient, (2) anisotropic thermal conductivity tensor, and (3) bulk heat capacity, as well as one additional model for the bilayer-dependent heat of reaction. These novel 3D simulations are the first to predict both steady and unsteady flames in Co/Al multilayers. Moreover, two unsteady modes of flame propagation are identified, which depend on the enhanced conduction losses with slower flames, as well as flame propagation around notched edges. Finally, future work will consider the generality of the current modeling approach and also seek to define a more generalized set of stability criteria for additional multilayer systems.

42 ENGINEERING↗
DOE OSTI2021

Description of longitudinal space charge effects in beams and plasma through dielectric permittivity

We develop a universal framework which allows quickly solve a wide class of problems for longitudinal space charge effects in beams and plasmas in cylindrical geometry. We introduce the longitudinal dielectric permittivity for the beam of charged particles, which describes its collective space charge response. The analysis yields an effective plasma frequency, which depends on the transverse geometry of the system. This dielectric permittivity mirrors the dielectric permittivity of plasma and matches the one dimensional (1D) expression once the transverse size of the beam is large. Several particle species can be included as additive terms describing susceptibility of each specie. The developed approach allows to study stability criteria for collective beam-beam and beam-plasma instabilities for arbitrary transverse distributions in particle densities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

The well-tempered cosmological constant: the Horndeski variations

Well tempering is one of the few classical field theory methods for solving the original cosmological constant problem, dynamically canceling a large (possibly Planck scale) vacuum energy and leaving the matter component intact, while providing a viable cosmology with late time cosmic acceleration and an end de Sitter state. We present the general constraints that variations of Horndeski gravity models with different combinations of terms must satisfy to admit an exact de Sitter spacetime that does not respond to an arbitrarily large cosmological constant. We explicitly derive several specific scalar-tensor models that well temper and can deliver a standard cosmic history including current cosmic acceleration. Stability criteria, attractor behavior of the de Sitter state, and the response of the models to pressureless matter are considered. The well tempered conditions can be used to focus on particular models of modified gravity that have special interest— not only removing the original cosmological constant problem but providing relations between the free Horndeski functions and reducing them to a couple of parameters, suitable for testing gravity and cosmological data analysis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Behavior of solitary waves of coupled nonlinear Schrödinger equations subjected to complex external periodic potentials with odd-$\mathcal{PT}$ symmetry

In this work, we discuss the response of both moving and trapped solitary wave solutions of a two-component nonlinear Schrödinger system in 1 + 1 dimensions to an odd-$\mathcal{PT}$ external periodic complex potential. The dynamical behavior of perturbed solitary waves is explored by conducting numerical simulations of the nonlinear system and using a collective coordinate variational approximation. We present case examples corresponding to choices of parameter values and initial conditions involved therein. The results of the collective coordinate approximation are compared against numerical simulations where we observe qualitatively good agreement between the two. Unlike the case for a single-component solitary wave in a complex periodic $\mathcal{PT}$-symmetric potential, the collective coordinate equations do not have a small oscillation regime, and initially the height of the two components changes in opposite directions often causing instability. We find that the dynamic stability criteria we have used in the one-component case are a good indicator for the onset of dynamic instabilities in the present setup.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Stability and magnetic behavior of exfoliable nanowire one-dimensional materials

Low-dimensional materials can display enhanced electronic, magnetic, and quantum properties. Here we use the topological scaling algorithm to identify all sufficiently metastable materials in the Materials Project database to identify bulk crystals with one-dimensional (1D) structural motifs: Five hundred fifty-one crystals that are within 50 meV atom –1 of the thermodynamic hull display 1D motifs, where 293 of these contain d-valence elements, which we focus on in this work. After exfoliating nanowires from 263 of these materials and calculating their thermodynamic stability using density functional theory, 103 nanowires meet per-atom and per-Ångström thermodynamic stability criteria. We illustrate for three nanowire systems that a variety of local minima can be present in these systems, demonstrating one case of a Peierls distortion. The wires display a broad diversity of electronic and magnetic properties of these nanowires, with 14 metals, 7 half-metals, and 82 semiconductors and insulators, and 41 nanowires displaying magnetic moments ranging from 0.1 to 5μ B per d-valence species when assuming ferromagnetic order. A subset of these chains are investigated for the impact of magnetic ordering, identifying 1D FeCl 3 to be most stable in an antiferromagnetic state. The electronic and magnetic properties of the identified 1D materials could enable applications in spintronic and quantum devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Beam Envelope Stability in an Advanced Linear Induction Accelerator

A new linear induction accelerator (LIA) is under development for multipulse flash radiography. Because it has substantially more cells than present LIAs, higher magnetic focusing fields are needed to suppress beam breakup (BBU). It is, therefore, more susceptible to the parametric beam envelope instability (PEI), which has an instability threshold that has usually been typified by the vacuum phase advance per cell exceeding some large fraction of π . Here we derive a threshold criterion for PEI that depends not only on the magnetic field, but also on the beam space charge and emittance. A tune designed to suppress BBU in Scorpius is shown to be stable to the PEI according to this criterion, and also by the lack of emittance growth in particle-in-cell (PIC) code simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗