Search NASA⌕ Search

SEARCH · Search NASA

Results for “dynamic processes”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Review: Recent advances of ToF-SIMS for environmental analysis and imaging

Background: Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a powerful surface analysis technique, initially developed and applied in inorganic materials and semiconductors. In past decades, ToF-SIMS has attracted more attention in its analysis capabilities of organic materials, with increased applications in biology, medical, and health development. It has also become a versatile and effective tool in environmental analysis due to its high mass resolution, mass accuracy, and depth profiling. Results: In this review, we first give an overview of the principle of ToF-SIMS and follow with recent ToF-SIMS applications in exemplary environmental study cases, including atmospheric aerosol, soil, water, plant, and organic solvent analysis. Moreover, sample preparation techniques are summarized in relation to corresponding environmental applications. Specifically, we call attention to ToF-SIMS investigations showcasing studies in surface chemical compositions, images, and depth profile analysis. These findings emphasize the important role of interfacial chemistry in environmental processes and provide valuable insights into dynamic processes, such as chemical transformation, particle formation, plant biology, and microbial inspired biotechnology development. The mass spectral imaging results acquired by ToF-SIMS offer a deeper understanding of intermediate stages and transient phases for environmental specimens. Significance: In situ and operando imaging offer new possibilities in studying phenomena in real time with high spatial resolution. Furthermore, it is anticipated that more research groups will use ToF-SIMS in environmental research given recent advances in measurement capabilities and surging needs in chemical mapping of complex analytes and systems.

Aerosol↗
DOE OSTI2020

Application of a Heat Integrated Post-combustion CO 2 Capture System with Hitachi Advanced Solvent into Existing Coal-Fired Power Plant (Final Technical Report)

The goal of this final project report is to comprehensively summarize the work conducted on project DE-FE0007395. In accordance with the Project Management Plan (PMP), Revision F dated 5/10/2019, and Statement of Project Objectives (SOPO) within, the University of Kentucky (UK) Center for Applied Energy Research (CAER) (Recipient) has successfully demonstrated a unique, versatile CO 2 capture system (CCS) using a heat integrated process combined with two-stage stripping for process intensification, heat recovery and demineralized (DM) water generation. This project involved the design, fabrication, installation, testing of and data analysis from the UK CAER 0.7 MWe small pilot scale CO2 capture process installed at Kentucky Utilities (KU) E.W. Brown Generating Station in Harrodsburg, KY. During each of the four project Budget Periods (BPs), UK CAER met all project deliverables, all project milestones, with National Energy Technology Laboratory (NETL) approved adjustments made to the campaign long-term hours during BP4. The CCS was constructed in modular skids. Two solvent campaigns were initially conducted; the first with a 30 wt% monoethanolamine (MEA) as a baseline, and the second with the Hitachi H3-1 advanced solvent. Additional tests were performed with two advanced solvents including CAER and Proprietary Solvent C. Short-period testing with a higher concentration of 40 wt% MEA was conducted to evaluate the potential saving with high alkalinity. From the various solvent campaigns, unique aspects of the UK CAER CCS technology, as well as its flexibility and versatility were experimentally validated and demonstrated. With respect to solvent evaluation efforts in identifying candidates with significant operational and capital cost savings potential, performance of solvents were evaluated to determine the energy requirements for regeneration; environmental impacts from secondary emissions and degradation products; degradation rates, solvent make-up rates and stability. The assessments were done from parametric tests that determined optimum operating conditions for the individual solvents to maximize process efficiency and minimize the parasitic load of the power plant, and from long term campaigns (1000 hours for 30 wt% MEA and 1000 hours for H3-1) which collectively informed the techno-economic analyses (TEA) of the process. The long term campaigns included corrosion studies which used three types of metal coupons in different sections of the process: (absorber, primary stripper, lean carbon-loaded and rich carbon loaded flow streams in process) to mimic heat and flow dynamics process equipment were exposed to. The estimated corrosion rates were used to elucidate corrosion mechanisms and to further guide process material selection for potential capital cost savings.

gas separation↗
DOE OSTI2021

Unraveling compacted graphite evolution during solidification of cast iron using in-situ synchrotron X-ray tomography

In spite of many years of research, the physical phenomena leading to the evolution of compacted graphite (CG) during solidification is still not fully understood. In particular, it is unknown how highly branched CG aggregates form and evolve in the semi-solid, and how local microstructural variations at micrometer length scale affect this growth process. We present here the first time-resolved synchrotron tomography combined with a bespoke high-temperature environmental cell that allows direct observation of the evolution of CG and relates this dynamic process to the local surrounding microstructures in a cast iron sample during repeated melting and solidification. Distinct processes are identified for the formation of CG involving the nucleation, growth, development of branches and interconnection of graphite particles, ultimately evolving into highly branched graphite aggregates with large sizes and low sphericities. CG is found to nucleate with a spheroidal or a plate-like shape, developing branches induced by high carbon concentration, e.g. thin melt channels. Additionally, CG grows much faster than spheroidal graphite during subsequent cooling in solid state. The direct visualization of the dynamic solidification process provides unprecedented new insights into formation mechanisms of CG and correlating factors such as local microstructural variations, and guides the development of CG iron solidification models.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Influence of defects on the femtosecond laser damage resistance of multilayer dielectric gratings

Multilayer dielectric (MLD) gratings with high diffraction efficiency and a high laser-induced damage (LID) threshold for pulse compressors are key to scaling the peak and average power of chirped pulse amplification lasers. However, surface defects introduced by manufacturing, storage, and handling processes can reduce the LID resistance of MLD gratings and impact the laser output. The underlying mechanisms of such defect-initiated LID remain unclear, especially in the femtosecond regime. In this Letter, we model dynamic processes in interactions of a 20-fs near-infrared (NIR) laser pulse and a MLD grating design in the presence of cylindrically symmetrical nodules and particle contaminants and cracks at the surface. Utilizing a dynamic model based on a 2D finite difference in time domain (FDTD) field solver coupled with photoionization, electron collision, and refractive index modification, we study the simulation results for the damage site distribution initiated by defects of various types and sizes and its impact on the LID threshold of the grating design.

Zhang, Simin (ORCID:0000000174948230)↗
DOE OSTI2022

Detailing cloud property feedbacks with a regime-based decomposition

Here, we report diagnosing the root causes of cloud feedback in climate models and reasons for inter-model disagreement is a necessary first step in understanding their wide variation in climate sensitivities. Here we bring together two analysis techniques that illuminate complementary aspects of cloud feedback. The first quantifies feedbacks from changes in cloud amount, altitude, and optical depth, while the second separates feedbacks due to cloud property changes within specific cloud regimes from those due to regime occurrence frequency changes. We find that in the global mean, shortwave cloud feedback averaged across ten models comes solely from a positive within-regime cloud amount feedback countered slightly by a negative within-regime optical depth feedback. These within-regime feedbacks are highly uniform: In nearly all regimes, locations, and models, cloud amount decreases and cloud albedo increases with warming. In contrast, global-mean across-regime components vary widely across models but are very small on average. This component, however, is dominant in setting the geographic structure of the shortwave cloud feedback: Thicker, more extensive cloud types increase at the expense of thinner, less extensive cloud types in the extratropics, and vice versa at low latitudes. The prominent negative extratropical optical depth feedback has contributions from both within- and across-regime components, suggesting that thermodynamic processes affecting cloud properties as well as dynamical processes that favor thicker cloud regimes are important. The feedback breakdown presented herein may provide additional targets for observational constraints by isolating cloud property feedbacks within specific regimes without the obfuscating effects of changing dynamics that may differ across timescales.

58 GEOSCIENCES↗
DOE OSTI2022

From antenna to reaction center: Pathways of ultrafast energy and charge transfer in photosystem II

The photosystem II core complex (PSII-CC) is the smallest subunit of the oxygenic photosynthetic apparatus that contains core antennas and a reaction center, which together allow for rapid energy transfer and charge separation, ultimately leading to efficient solar energy conversion. However, there is a lack of consensus on the interplay between the energy transfer and charge separation dynamics of the core complex. Here, we report the application of two-dimensional electronic-vibrational (2DEV) spectroscopy to the spinach PSII-CC at 77 K. The simultaneous temporal and spectral resolution afforded by 2DEV spectroscopy facilitates the separation and direct assignment of coexisting dynamical processes. Our results show that the dominant dynamics of the PSII-CC are distinct in different excitation energy regions. By separating the excitation regions, we are able to distinguish the intraprotein dynamics and interprotein energy transfer. Additionally, with the improved resolution, we are able to identify the key pigments involved in the pathways, allowing for a direct connection between dynamical and structural information. Specifically, we show that C505 in CP43 and the peripheral chlorophyll Chlz D1 in the reaction center are most likely responsible for energy transfer from CP43 to the reaction center.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Substantiation of the Possibility of Predicting Behavior of Solids under Extreme Conditions at Various High-Intensity Impacts

The paper is devoted to the data analysis on the amplitude-time regularities of the dynamic failure process of solids under various types of high-intensity impact in the ranges of nonequilibrium states from 3 × 10{sup −10} to 10{sup −5} s and establishing general regularities of behavior of unstudied materials under extreme conditions. We have analyzed the process of dynamic destruction of solids of different nature using the method of magnetic-pulse loading in the microsecond range of nonequilibrium states, as well as the dynamic failure process for a number of metals in the mode of pulsed volume heating under the action of pulsed relativistic electron beams in the nanosecond and subnanosecond range of nonequilibrium states. It has been shown that, upon using different methods of pulsed loading in the dynamic longevity range, the failure time as a function of amplitude of applied load has an exponential form for various solid materials. This indicates the scaling nature of the destruction process. The foregoing determines the possibility of predicting the behavior of unstudied solid bodies in the dynamic range of nonequilibrium states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

OpenMPI and ExxonMobil Topics

These are a series of slides for a presentation for ExxonMobil's visit to Los Alamos National Laboratory. Topics covered are: Open MPI - The Release Story, MPI-3 RMA in Open MPI, MPI dynamic process management and Open MPI, and new options with CLE 6. Open MPI RMA features are: since v2.0.0 full support for the MPI-3.1 specification, support for non-contiguous datatypes, support for direct use of the RDMA capabilities of high performance networks (Cray Gemini/Aries, Infiniband), starting in v2.1.0 will have support for using network atomic operations for MPI_Fetch_and_op and MPI_Compare_and_swap, tested with MPI_THREAD_MULTIPLE.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Nanoscale properties of lead halide perovskites by scanning tunneling microscopy

Since the introduction of lead halide perovskites, tremendous progress has been made regarding their stability, reproducibility and durability. However, one of the issues that remains is related to the interfacial atomic structure arrangement and structure-property relationship under optical and electrical stimuli. In this critical review, we highlight the recent progress using scanning tunneling microscopy (STM) to understand the nanoscale properties and dynamic processes occurring in these halide perovskite materials. STM is known to be a very challenging technique, which is reflected by the low number of relevant publications in the last years. These initial reports mirror the unique potential of STM to give Ångstrom-scale insight into the (opto)-electronic properties, morphology and underlying electronic structure and provide a path toward harnessing the full potential of these materials. However, care must be taken to understand the effects of the perturbations caused by STM and tailor the measurement conditions accordingly.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Development of a Generalized Riser Flow Regime Map Based Upon Higher Moment and Chaotic Statistics Using Electrical Capacitance Volume Tomography (ECVT)

Dynamic analyses have been applied to the temporal signals from an Electro Capacitance Volume Tomography instrument located near mid-height on the riser of an industrial-scale cold-flow circulating fluidized bed to characterize gas-solids flow behavior in the riser. Twelve capacitance electrodes surround the cylindrical riser over a height of 1.3 m. The instrument used a neural network deconvolution algorithm to determine the spatially resolved solids fraction recorded at 52 Hz. Experiments were carried out over a range of gas and solids flows in the transport regime using a Geldart Group B bed material, high density polyethylene with mean particle size of 880 μm. The radial solids distribution was found to vary from one-time step to the next between profiles typical of laminar and turbulent flow. The duration of time spent in each of these flow profiles depended upon the operating regime – dilute, core-annular, or fast fluidized bed. The chaotic structure of the temporal data was characterized using the three conventional approaches: the first 4 moments from the distribution of signal in time, system memory parameters from the autocorrelation function and the Hurst exponent, and analysis of the correlationentropy and correlation dimension of the attractor. These signal analysis techniques were used to clearly distinguish differences between different transport operating regimes. Specifically, it was experimentally observed that a riser transitions from core annular flow profile to dilute and dense regimes via increasing the frequency of short term transients to either dilute or dense flow profiles, respectively. A regime map was generated based upon these dynamics using solids flux and gas velocity axes. Fast fluidized, core annular, and dilute each exhibited different degree of dynamic characteristics typical of fluid dominated or particle compromising behavior. It should be noted that the magnitude for the different statistics was in the same range regardless of the regime, it was the radial profile for the statistic that changed and subsequently identified that there was a change in the regime. Finally, a reduced regime map was developed consisting of plotting the gas velocity normalized by the upper transport velocity versus the solids flux normalized by the saturation carrying capacity. The use of this reduced plot allowed the data from widely different conditions to be plotted and compared on the same<p>graph. Note that in many instances, some of the statistics identified the operating point as being in one regime while others indicated that it was in another indicating a transition region between dilute or core annular regimes and between the core annular and fast fluidization regimes. This now provides a tool that can be used to optimize process performance, identify changes in operating states, or replicate process dynamics during process scaling or changing operating parameters. </p>

Breault, Ronald↗
DOE OSTI2021

Identification and Online Updating of Dynamic Models for Demand Response of an Industrial Air Separation Unit

Demand-response operation of air separation units requires frequent changes in production rate(s), and scheduling calculations must explicitly consider process dynamics to ensure feasibility of the solutions. To this end, scale-bridging models (SBMs) approximate the scheduling-relevant dynamics of a process and its controller in a low-order representation. In contrast to previous works that have employed nonlinear SBMs, this paper proposes linear SBMs, developed using time-series analysis, to facilitate online scheduling computations. Using a year-long industrial dataset, we nd that compact linear SBMs are suitable approximations over typical scheduling horizons, but that their accuracies are unpredictable over time. We introduce a strategy for online updating of the SBMs, based on Kalman ltering schemes for online parameter estimation. The approach greatly improves the accuracy of SBM predictions and will enable the use of linear SBM-based demand-response scheduling in the future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Development of fine-resolution analyses and expanded large-scale forcing properties. Part II: Scale-awareness and application to single-column model experiments

Fine-resolution three-dimensional fields have been produced using the Community Gridpoint Statistical Interpolation (GSI) data assimilation system for the U.S. Department of Energy’s Atmospheric Radiation Measurement Program (ARM) Southern Great Plains region. The GSI system is implemented in a multi-scale data assimilation framework using the Weather Research and Forecasting model at a cloud-resolving resolution of 2 km. From the fine-resolution three-dimensional fields, large-scale forcing is derived explicitly at grid-scale resolution; a subgrid-scale dynamic component is derived separately, representing subgrid-scale horizontal dynamic processes. Analyses show that the subgrid-scale dynamic component is often a major component over the large-scale forcing for grid scales larger than 200 km. The single-column model (SCM) of the Community Atmospheric Model version 5 (CAM5) is used to examine the impact of the grid-scale and subgrid-scale dynamic components on simulated precipitation and cloud fields associated with a mesoscale convective system. It is found that grid-scale size impacts simulated precipitation, resulting in an overestimation for grid scales of about 200 km but an underestimation for smaller grids. The subgrid-scale dynamic component has an appreciable impact on the simulations, suggesting that grid-scale and subgrid-scale dynamic components should be considered in the interpretation of SCM simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Multioutput Convolutional Neural Network for Improved Parameter Extraction in Time-Resolved Electrostatic Force Microscopy Data

Time-resolved scanning probe microscopy methods, like time-resolved electrostatic force microscopy (trEFM), enable imaging of dynamic processes ranging from ion motion in batteries to electronic dynamics in microstructured thin film semiconductors for solar cells. Reconstructing the underlying physical dynamics from these techniques can be challenging due to the interplay of cantilever physics with the actual transient kinetics of interest in the resulting signal. Previously, quantitative trEFM used empirical calibration of the cantilever or feed-forward neural networks trained on simulated data to extract the physical dynamics of interest. Both these approaches are limited by interpreting the underlying signal as a single exponential function, which serves as an approximation but does not adequately reflect many realistic systems. Here, we present a multi-branched, multi-output convolutional neural network (CNN) that uses the trEFM signal in addition to the physical cantilever parameters as input. The trained CNN accurately extracts parameters describing both single-exponential and bi-exponential underlying functions, and more accurately reconstructs real experimental data in the presence of noise. This article demonstrates an application of physics-informed machine learning to complex signal processing tasks, enabling more efficient and accurate analysis of trEFM.

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

A data-driven linear formulation of the optimal demand response scheduling problem for an industrial air separation unit

Demand response (DR) has become a key element in balancing the power grid as the contribution of time-varying renewable power generation increases. Chemical plants are appealing candidates for DR programs as they offer large, concentrated and flexible loads. DR participation calls for frequent production rate changes over time scales that overlap with the dominant dynamics of the plant. Production scheduling should therefore consider the process dynamics explicitly. Here we present a data-driven approach for modelling the scheduling-relevant dynamics based on historical closed-loop operating data using autoregressive with extra inputs (ARX) models. We introduce a new, linear scheduling problem formulation based on the ARX representation, and demonstrate its implementation on an industrial air separation unit.

42 ENGINEERING↗
DOE OSTI2017

Lyapunov exponent as a metric for assessing the dynamic content and predictability of large-eddy simulations

Metrics used to assess the quality of large-eddy simulations commonly rely on a statistical assessment of the solution. While these metrics are valuable, a dynamic measure is desirable to further characterize the ability of a numerical simulation for capturing dynamic processes inherent in turbulent flows. To address this issue, a dynamic metric based on the Lyapunov exponent is proposed which assesses the growth rate of the solution separation. Specifically, this metric is applied to two turbulent flow configurations: forced homogeneous isotropic turbulence and a turbulent jet diffusion flame. First, it is shown that, despite the direct numerical simulation (DNS) and large-eddy simulation (LES) being high-dimensional dynamical systems with O(107) degrees of freedom, the separation growth rate qualitatively behaves like a lower-dimensional dynamical system, in which the dimension of the Lyapunov system is substantially smaller than the discretized dynamical system. Second, a grid refinement analysis of each configuration demonstrates that as the LES filter width approaches the smallest scales of the system the Lyapunov exponent asymptotically approaches a plateau. Third, a small perturbation is superimposed onto the initial conditions of each configuration, and the Lyapunov exponent is used to estimate the time required for divergence, thereby providing a direct assessment of the predictability time of simulations. By comparing inert and reacting flows, it is shown that combustion increases the predictability of the turbulent simulation as a result of the dilatation and increased viscosity by heat release. The predictability time is found to scale with the integral time scale in both the reacting and inert jet flows. Fourth, an analysis of the local Lyapunov exponent is performed to demonstrate that this metric can also determine flow-dependent properties, such as regions that are sensitive to small perturbations or conditions of large turbulence within the flow field. Finally, it is demonstrated that the global Lyapunov exponent can be utilized as a metric to determine if the computational domain is large enough to adequately encompass the dynamic nature of the flow.

42 ENGINEERING↗
DOE OSTI2024

A Bottom-Up Approach to Rational Design of Crystalline Materials: Investigation of Vibronic Coherences Underlying Exciton Dynamics in Semiconductors

In this project we uncovered structure-function relationships of donor-acceptor co-crystals used to develop next-generation optoelectronic devices. Unraveling the photodynamics of molecular crystalline materials poses many challenges for spectroscopy due to broad, overlapping features representing numerous underlying dynamical processes. This leads researchers to make many assumptions about the dynamics of a system in choosing an appropriate kinetic fitting model. Computationally, electronic structure methods are either prohibitively expensive or underdeveloped for computing the excited state structure of molecular materials, especially states that exhibit charge transfer. Researchers must therefore perform calculations of excited electronic states using truncated models of molecular materials. Here we present a joint experimental-theoretical approach to bridging the gap between the photodynamics of a molecular material and its constituent molecules. We focus our efforts on quantifying the timescales and mechanisms of photoexcitation in donor-acceptor co-crystals and donor-acceptor dimers where the lowest-lying excited state is characterized by charge transfer from the donor to the acceptor. We employ ultrafast UV pump, UV-Vis probe transient absorption spectroscopy to unravel the time-resolved spectroscopic signatures of the photodynamics in both the crystalline material and donor-acceptor dimers in solution. We perform electronic structure and excited state dynamics calculations of the dimers to inform kinetic fitting models and assign the spectral features. The photodynamics of the crystal vs. dimer systems have many similarities, enabling unprecedented insights into the formation and evolution of charge transfer excitons in the crystalline systems.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Flux-assisted CdTe and CdSe growth using an in-situ dynamic flux removal process

A flux-assisted in-situ dynamic flux removal process for growing CdTe is discussed where crystals larger than 1-cm have been achieved over times of a few days. Here, a metal getter (i.e., stainless steel, Pt, Cu, Ni, and Ag) was placed in the annulus outside of a glassy carbon crucible containing CdTe and Te (Cd30Te70) and this was sealed within an evacuated fused quartz ampoule. During the heat-treatment, the Te flux lowered the melting temperature of the mixture. After melting, the flux (and some CdTe) was removed from the crucible through volatility and reacted with the metal getter forming metal tellurides. This process was conducted at temperatures below the melting temperature of CdTe ( T m ~1041 °C) and once the flux was removed, the CdTe solidified into a solid polycrystalline ingot with several large grains. Following a 24-hr soak, a variety of cooling rates were evaluated including 0.1 °C min -1 , 1 °C min -1 , as well as furnace, air, and water quenching all with Pt as the getter. The slowest quench rate (0.1 °C min -1 ) yielded the largest-grained crystals. This process was then demonstrated in a gradient furnace using Cu and Ni getters to grow ingots of ~100 g. Additional data is presented showing how this approach was also used to grow CdSe ( T m = ~1268 °C), albeit with smaller grain sizes than were achieved with CdTe.

36 MATERIALS SCIENCE↗