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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Multi-Step Lithiation of Tin Sulfide: An Investigation Using In Situ Electron Microscopy

Two-dimensional metal sulfides have been widely explored as promising electrodes for lithium ion batteries since their two-dimensional layered structure allows lithium ions to intercalate between layers. For tin disulfide, the lithiation process proceeds via a sequence of three different types of reactions: intercalation, conversion, and alloying but the full scenario of reaction dynamics remains nebulous. In this paper, we investigate the dynamical process of the multi-step reactions using in situ electron microscopy and discover an intermediate rock-salt phase with the disordering of Li and Sn cations, after the initial 2-dimensional intercalation. The disordered cations occupy all the octahedral sites and block the channels for intercalation, which alter the reaction pathways during further lithiation. Our first principles calculations of the non-equilibrium lithiation of SnS2 corroborate the energetic preference of the disordered rock-salt structure over known layered polymorphs. The in situ observations and calculations suggest a two-phase reaction nature for intercalation, disordering, and following conversion reactions. In addition, in situ de-lithiation observation confirms that the alloying reaction is reversible while the conversion reaction is not, which is consistent to the ex situ analysis. This work reveals the full lithiation characteristic of SnS2 and sheds light on the understanding of complex multistep reactions in two-dimensional materials.

25 ENERGY STORAGE↗
DOE OSTI2025

Understanding drivers and uncertainty in projected African precipitation

We investigate the drivers of projected summer precipitation changes and their uncertainties across Africa in the second half of the 21st century under the SSP2-4.5 and SSP5-8.5 scenarios using CMIP6 models. Our results reveal distinct regional precipitation changes, particularly under SSP5-8.5, with robust increases of 75%, 24%, and 17% over the Sahara, South Eastern Africa, and South Central Africa, respectively, and a decline of up to 5% over West Southern Africa (WSAF). In most regions, precipitation increases are driven by enhanced vertical thermodynamic processes associated with temperature-induced moisture increases and enhanced moisture convergence. In contrast, the WSAF decrease is associated with vertical dynamic processes driven by a weakening of the Hadley circulation’s ascending branch. Model uncertainty accounts for over 85% of total projection uncertainty across all regions and is largely due to subgrid-scale parameterizations. Overall, this study enhances our understanding of climate change impacts on African precipitation.

Taguela, Thierry N↗
DOE OSTI2017

Efficiency of fermionic quantum distillation

Here, we present a time-dependent density-matrix renormalization group investigation of the quantum distillation process within the Fermi-Hubbard model on a quasi-one-dimensional ladder geometry. The term distillation refers to the dynamical, spatial separation of singlons and doublons in the sudden expansion of interacting particles in an optical lattice, i.e., the release of a cloud of atoms from a trapping potential. Remarkably, quantum distillation can lead to a contraction of the doublon cloud, resulting in an increased density of the doublons in the core region compared to the initial state. As a main result, we show that this phenomenon is not limited to chains that were previously studied. Interestingly, there are additional dynamical processes on the two-leg ladder such as density oscillations and self-trapping of defects that lead to a less efficient distillation process. An investigation of the time evolution starting from product states provides an explanation for this behavior. Initial product states are also considered since in optical lattice experiments, such states are often used as the initial setup. We propose configurations that lead to a fast and efficient quantum distillation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Multi-Energy Microgrid Planning Considering Heat Flow Dynamics

In this paper, we present a multi-energy microgrid optimal planning method, considering the intra-hour dynamics of the heating system as constraints of the energy dispatch, and consequently of the sizing of the Combined Heat and Power units. The fixed-mass flow rate method and finite difference technique are applied to linearize the dynamic constraints. Moreover, to determine the values of the mass flow rates, a critical scenario representing the slowest heat dynamic process is put forward. Finally, a realistic microgrid case study is presented to illustrate the effect of considering the heat flow dynamics in the overall solution.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

ILLUMINATING BLACK HOLE BINARY FORMATION CHANNELS WITH SPINS IN ADVANCED LIGO

The recent detections of the binary black hole mergers GW150914 and GW151226 have inaugurated the field of gravitational-wave astronomy. For the two main formation channels that have been proposed for these sources, isolated binary evolution in galactic fields and dynamical formation in dense star clusters, the predicted masses and merger rates overlap significantly, complicating any astrophysical claims that rely on measured masses alone. Here, we examine the distribution of spin–orbit misalignments expected for binaries from the field and from dense star clusters. Under standard assumptions for black hole natal kicks, we find that black hole binaries similar to GW150914 could be formed with significant spin–orbit misalignment only through dynamical processes. In particular, these heavy-black hole binaries can only form with a significant spin–orbit anti -alignment in the dynamical channel. Our results suggest that future detections of merging black hole binaries with measurable spins will allow us to identify the main formation channel for these systems.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2005

A Strategy for Autogeneration of Space Shuttle Ground Processing Simulation Models for Project Makespan Estimations

Space Shuttle Processing is a complicated and highly variable project. The planning and scheduling problem, categorized as a Resource Constrained - Stochastic Project Scheduling Problem (RC-SPSP), has a great deal of variability in the Orbiter Processing Facility (OPF) process flow from one flight to the next. Simulation Modeling is a useful tool in estimation of the makespan of the overall process. However, simulation requires a model to be developed, which itself is a labor and time consuming effort. With such a dynamic process, often the model would potentially be out of synchronization with the actual process, limiting the applicability of the simulation answers in solving the actual estimation problem. Integration of TEAMS model enabling software with our existing schedule program software is the basis of our solution. This paper explains the approach used to develop an auto-generated simulation model from planning and schedule efforts and available data.

Madden, Michael G.↗
NASA NTRS2002

Self-Consistent Magnetosphere-Ionosphere Coupling and Associated Plasma Energization Processes

Magnetosphere-Ionosphere (MI) coupling and associated with this process electron and ion energization processes have interested scientists for decades and, in spite of experimental and theoretical research efforts, are still ones of the least well known dynamic processes in space plasma physics. The reason for this is that the numerous physical processes associated with MI coupling occur over multiple spatial lengths and temporal scales. One typical example of MI coupling is large scale ring current (RC) electrodynamic coupling that includes calculation of the magnetospheric electric field that is consistent with the ring current (RC) distribution. A general scheme for numerical simulation of such large-scale magnetosphere-ionosphere coupling processes has been presented earlier in many works. The mathematical formulation of these models are based on "modified frozen-in flux theorem" for an ensemble of adiabatically drifting particles in the magnetosphere. By tracking the flow of particles through the inner magnetosphere, the bounce-averaged phase space density of the hot ions and electrons can be reconstructed and the magnetospheric electric field can be calculated such that it is consistent with the particle distribution in the magnetosphere. The new a self-consistent ring current model has been developed that couples electron and ion magnetospheric dynamics with calculation of electric field. Two new features were taken into account in addition to the RC ions, we solve an electron kinetic equation in our model, self-consistently including these results in the solution. Second, using different analytical relationships, we calculate the height integrated ionospheric conductances as the function of precipitated high energy magnetospheric electrons and ions as produced by our model. This results in fundamental changes to the electric potential pattern in the inner magnetosphere, with a smaller Alfven boundary than previous potential formulations would predict but one consistent with recent satellite observations. This leads to deeper penetration of the plasma sheet ions and electrons into the inner magnetosphere and more effective ring current ions and electron energization.

Khazanov, G. V.↗
DOE OSTI2019

Nanoscale kinetics and dynamics during Ar + patterning of SiO 2

Broad-beam low-energy ion bombardment can lead to the spontaneous formation of nanoscale surface structures, but the dominant mechanisms driving evolution remain controversial. Using coherent x-ray scattering to examine the classic case of ion-beam rippling of SiO 2 surfaces, we study the relationship between the average kinetics of ripple formation and the underlying fluctuation dynamics. The early stage growth of fluctuations is well fit with a linear theory formalism employing a viscous relaxation term with full wave-number dependence. In this regime, the x-ray photon correlation spectroscopy two-time correlation function shows distinctive behavior with memory stretching back to the beginning of the bombardment. For a given length scale, correlation times do not grow significantly beyond the characteristic time associated with the early-stage ripple growth. In the late stages of patterning, when the average surface structure on a given length scale is no longer evolving, dynamical processes continue on the surface. Nonlinear processes dominate at long length scales, leading to compressed exponential decay of the speckle correlation functions, while at short length scales the dynamics appears to approach a linear behavior consistent with viscous flow relaxation. This behavior is found to be consistent with simulations of a recent nonlinear growth model. In addition, it is shown that the surface ripple velocity, an important parameter of the ion-driven surface evolution, can be measured with coherent x-ray scattering in conjunction with use of an inhomogeneous ion beam. The change in viewpoint exemplified by this study, from a focus on only average surface kinetics to one incorporating the underlying nanoscale dynamics, is rapidly becoming more widely applicable as new and upgraded x-ray sources with higher coherent flux come online.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Chaotic Dynamics of Trans-Neptunian Objects Perturbed by Planet Nine

Observations of clustering among the orbits of the most distant trans-Neptunian objects (TNOs) has inspired interest in the possibility of an undiscovered ninth planet lurking in the outskirts of the solar system. Numerical simulations by a number of authors have demonstrated that, with appropriate choices of planet mass and orbit, such a planet can maintain clustering in the orbital elements of the population of distant TNOs, similar to the observed sample. However, many aspects of the rich underlying dynamical processes induced by such a distant eccentric perturber have not been fully explored. We report the results of our investigation of the dynamics of coplanar test-particles that interact with a massive body on an circular orbit (Neptune) and a massive body on a more distant, highly eccentric orbit (the putative Planet Nine). We find that a detailed examination of our idealized simulations affords tremendous insight into the rich test-particle dynamics that are possible. In particular, we find that chaos and resonance overlap plays an important role in particles’ dynamical evolution. We develop a simple mapping model that allows us to understand, in detail, the web of overlapped mean-motion resonances explored by chaotically evolving particles. We also demonstrate that gravitational interactions with Neptune can have profound effects on the orbital evolution of particles. Our results serve as a starting point for a better understanding of the dynamical behavior observed in more complicated simulations that can be used to constrain the mass and orbit of Planet Nine.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

NMPC for Mode-Switching Operation of Reversible Solid Oxide Cell Systems

Solid oxide cells (SOCs) are a promising dual-mode technology that generates hydrogen through high-temperature water electrolysis and generates power through a fuel cell reaction that consumes hydrogen. Reversible operation of SOCs requires a transition between these two modes for hydrogen production setpoints as the demand and price of electricity fluctuate. Moreover, a well-functioning control system is important to avoid cell degradation during mode-switching operation. In this work, we apply nonlinear model predictive control (NMPC) to an SOC module and supporting equipment and compare NMPC performance to classical proportional integral (PI) control strategies, while ramping between the modes of hydrogen and power production. While both control methods provide similar performance in many metrics, NMPC significantly reduces cell thermal gradients and curvatures (mixed spatial-temporal partial derivatives) during mode switching. A dynamic process flowsheet of the reversible SOC system was developed in the open-source, equation-based IDAES modeling framework. Our IDAES dynamic simulation results show that NMPC can ramp the SOC system between hydrogen and power production targets within short mode-switching times. Moreover, NMPC can comply with operating limits in the SOC system more effectively than PI, and only NMPC can directly enforce user-specified limits for mixed spatial-temporal partial derivatives of temperature. This allows for management of the trade-off be-tween operating efficiency and cell degradation, which is dependent on these temperature curvatures.

Li, Mingrui↗
NASA NTRS1987

The effect of along-front temperature variation in a two-dimensional primitive equation model of a surface frontogenesis

The effects of along-front temperature variations on the structure and evolution of surface fronts are investigated using a two-dimensional frontogenesis model. The formulation and characteristics of the confluence-horizontal shear model are described. The structures of three frontal zones forced by confluence and characterized by zero, negative, and positive along-front potential temperature variations are analyzed; particular attention is given to the ageostrophic vertical circulation and their forcings. The temporal evolution of the model frontal zones is examined in terms of the low-level maxima of vorticity, cross-front potential temperature gradient, and convergence. The kinematic and dynamic processes influencing the frontogenesis are discussed. It is noted that the two-dimensional model is applicable to the study of the dynamical properties of frontogenesis.

Keyser, Daniel↗
DOE OSTI2016

DYNAMICAL CONSTRAINTS ON THE ORIGIN OF HOT AND WARM JUPITERS WITH CLOSE FRIENDS

Gas giants orbiting their host star within the ice line are thought to have migrated to their current locations from farther out. Here we consider the origin and dynamical evolution of observed Jupiters, focusing on hot and warm Jupiters with outer friends. We show that the majority of the observed Jupiter pairs (20 out of 24) are dynamically unstable if the inner planet is placed at ≳1 au distance from the stellar host. This finding is at odds with formation theories that invoke the migration of such planets from semimajor axes ≳1 au due to secular dynamical processes (e.g., secular chaos, Lidov–Kozai [LK] oscillations) coupled with tidal dissipation. In fact, the results of N -body integrations show that the evolution of dynamically unstable systems does not lead to tidal migration but rather to planet ejections and collisions with the host star. This and other arguments lead us to suggest that most of the observed planets with a companion could not have been transported from farther out through secular migration processes. More generally, by using a combination of numerical and analytic techniques, we show that the high- e LK migration scenario can only account for less than 10% of all gas giants observed between 0.1 and 1 au. Simulations of multiplanet systems support this result. Our study indicates that rather than starting on highly eccentric orbits with orbital periods above 1 yr, these “warm” Jupiters are more likely to have reached the region where they are observed today without having experienced significant tidal dissipation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2009

A Process for Comparing Dynamics of Distributed Space Systems Simulations

The paper describes a process that was developed for comparing the primary orbital dynamics behavior between space systems distributed simulations. This process is used to characterize and understand the fundamental fidelities and compatibilities of the modeling of orbital dynamics between spacecraft simulations. This is required for high-latency distributed simulations such as NASA s Integrated Mission Simulation and must be understood when reporting results from simulation executions. This paper presents 10 principal comparison tests along with their rationale and examples of the results. The Integrated Mission Simulation (IMSim) (formerly know as the Distributed Space Exploration Simulation (DSES)) is a NASA research and development project focusing on the technologies and processes that are related to the collaborative simulation of complex space systems involved in the exploration of our solar system. Currently, the NASA centers that are actively participating in the IMSim project are the Ames Research Center, the Jet Propulsion Laboratory (JPL), the Johnson Space Center (JSC), the Kennedy Space Center, the Langley Research Center and the Marshall Space Flight Center. In concept, each center participating in IMSim has its own set of simulation models and environment(s). These simulation tools are used to build the various simulation products that are used for scientific investigation, engineering analysis, system design, training, planning, operations and more. Working individually, these production simulations provide important data to various NASA projects.

Cures, Edwin Z.↗
NASA NTRS1973

Comets and the formation of planets

Morphological study of the physical and dynamical processes of planet formation, with emphasis on the role of comet nuclei. A consistent model proposes the formation of comets and planets in preplanetary rings of the residual solar nebula, with subsequent ejection, chiefly by Jupiter, of the comets to Oort's (1950) sphere. Physically, dynamically, or statistically evaluated items include: (1) the total number and mass of comets in Oort's cloud; (2) reevaluation of the diameters and masses of comet nuclei; (3) the processes of nucleation from gravitational and 'Boltzmann' instabilities of gaseous media to agglomerations of particulate matter; and (4) the statistical-dynamical conditions and time scales of orbital interaction of comets with the planets and the consequences of disintegration.

Opik, E. J.↗
DOE OSTI2023

Asynchronous domain dynamics and equilibration in layered oxide battery cathode

To improve lithium-ion battery technology, it is essential to probe and comprehend the microscopic dynamic processes that occur in a real-world composite electrode under operating conditions. The primary and secondary particles are the structural building blocks of battery cathode electrodes. Their dynamic inconsistency has profound but not well-understood impacts. In this research, we combine operando coherent multi-crystal diffraction and optical microscopy to examine the chemical dynamics in local domains of layered oxide cathode. Our results not only pinpoint the asynchronicity of the lithium (de)intercalation at the sub-particle level, but also reveal sophisticated diffusion kinetics and reaction patterns, involving various localized processes, e.g., chemical onset, reaction front propagation, domains equilibration, particle deformation and motion. These observations shed new lights onto the activation and degradation mechanisms of state-of-the-art battery cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2023

Thiol redox proteomics: Characterization of thiol-based post-translational modifications

Redox post-translational modifications on cysteine thiols (redox PTMs) have profound effects on protein structure and function, thus enabling regulation of various biological processes. Redox proteomics approaches aim to characterize the landscape of redox PTMs at the systems level. These approaches facilitate studies of condition-specific, dynamic processes implicating redox PTMs and have furthered our understanding of redox signaling and regulation. Mass spectrometry (MS) is a powerful tool for such analyses which has been demonstrated by significant advances in redox proteomics during the last decade. A group of well-established approaches involves the initial blocking of free thiols followed by selective reduction of oxidized PTMs and subsequent enrichment for downstream detection. Alternatively, novel chemoselective probe-based approaches have been developed for various redox PTMs. Direct detection of redox PTMs without any enrichment has also been demonstrated given the sensitivity of contemporary MS instruments. This review discusses the general principles behind different analytical strategies and covers recent advances in redox proteomics. Several applications of redox proteomics are also highlighted to illustrate how large-scale redox proteomics data can lead to novel biological insights.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

A dynamic likelihood approach to filtering transport processes: advection-diffusion dynamics

A Bayesian data assimilation scheme is formulated for advection-dominated advective and diffusive evolutionary problems, based upon the Dynamic Likelihood (DLF) approach to filtering. The DLF was developed specifically for hyperbolic problems –waves–, and in this paper, it is extended via a split step formulation, to handle advection-diffusion problems. In the dynamic likelihood approach, observations and their statistics are used to propagate probabilities along characteristics, evolving the likelihood in time. The estimate posterior thus inherits phase information. For advection-diffusion the advective part of the time evolution is handled on the basis of observations alone, while the diffusive part is informed through the model as well as observations. We expect, and indeed show here, that in advection-dominated problems, the DLF approach produces better estimates than other assimilation approaches, particularly when the observations are sparse and have low uncertainty. The added computational expense of the method is cubic in the total number of observations over time, which is on the same order of magnitude as a standard Kalman filter and can be mitigated by bounding the number of forward propagated observations, discarding the least informative data.

97 MATHEMATICS AND COMPUTING↗