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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 19 records

Dynamic Process Intensification of Binary Distillation via Periodic Operation

This paper applies the concept of dynamic intensification (defined as changes to the dynamics, operation strategy, and/or control of a process that lead to a substantially more efficient processing path) to binary distillation columns. The resulting strategy consists of manufacturing a target product as a blend of two auxiliary products, both having lower energy demands than a reference value, which corresponds to producing the target product(s) in a column operating at steady state. Here, a discussion of the appropriate control structures and switching strategies between the two auxiliary products is provided. An extensive case study concerning the separation of a methanol–1-propanol mixture was carried out, demonstrating that energy savings in the order of 1.4% are possible with no disruption in product quality or production rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An efficient MILP framework for integrating nonlinear process dynamics and control in optimal production scheduling calculations

The emphasis currently placed on enterprise-wide decision making and optimization has led to an increased need for methods of integrating nonlinear process dynamics and control information in scheduling calculations. The inevitable high dimensionality and nonlinearity of first-principles dynamic process models makes incorporating them in scheduling calculations challenging. In this work, we describe a general framework for deriving data-driven surrogate models of the closed-loop process dynamics. Focusing on Hammerstein–Wiener and finite step response (FSR) model forms, we show that these models can be (exactly) linearized and embedded in production scheduling calculations. The resulting scheduling problems are mixed-integer linear programs with a special structure, which we exploit in a novel and efficient solution strategy. A polymerization reactor case study is utilized to demonstrate the merits of this method. Finally, our framework compares favorably to existing approaches that embed dynamics in scheduling calculations, showing considerable reductions in computational effort.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Dynamic Process Intensification via Data-Driven Dynamic Optimization: Concept and Application to Ternary Distillation

Process intensification is a design philosophy aimed at making chemical processes safer and more efficient. Its implementation often results in significant modifications to the design and structure of the process, with several conventional unit operations occurring in the same physical device. Traditionally, process intensification has focused on steady-state operation. In our previous works, we introduced dynamic process intensification (DPI) as a new intensification paradigm based on operational changes for conventional or intensified units. DPI is predicated on switching operation between two auxiliary steady states selected via a steady-state optimization calculation that ensures that the system generates, on average and over time, the same products as in nominal steady-state operation, but with favorable economics. This paper extends the DPI concept and introduces a novel dynamic optimization-based DPI strategy (Do-DPI) that involves imposing a true cyclic operation rather than switching between two discrete states. We discuss its implementation using surrogate dynamic models learned via system identification. Here, an extensive case study concerning a ternary distillation column separating a canonical hydrocarbon mixture shows that Do-DPI can reduce energy use by more than 4% relative to steady-state operation, with no significant deviations in product quality and production rate.

42 ENGINEERING↗

Some aspects of the interaction between chemical and dynamic processes relating to the Antarctic ozone hole

Observational and modeling studies have been conducted to examine the interaction between the chemical and dynamical processes that occur during springtime in the lower stratosphere of the Southern Hemisphere. The temporal evolution of the ozone distribution and the circulation during 1987 is contrasted with that for 1988 as an illustrative example of how dynamical processes and the resulting meteorological conditions modulate the ozone depletion. Concurrently with the observational analysis, an effort was initiated to simulate the ozone depletion during austral spring using a 3D chemical/transport model. The model includes a parameterized representation of the heterogeneous processes thought to be important in this region. The simulation indicates that the inclusion of this additional chemistry, which results in the release of free chlorine and the redistribution of odd nitrogen into reservoir species, reproduces many aspects of the observations.

Eckman, R. S.↗

Collisional and dynamical processes in moon and planet formation

The collisional and dynamical processes in moon and planet formation are discussed. A hydrodynamic code of collision calculations, the orbital element changes due to gravitational scattering, a validation of the mass shifting algorithm, a theory of rotations, and the origin of asteroids are studied. A numerical model of planet growth is discussed and a methodology to evaluate the rate at which megaregolith increases its depth as a function of total accumulate number of impacts on an initially smooth, coherent surface is described.

Source record↗

Transition state redox during dynamical processes in semiconductors and insulators

Activation barriers associated with ion diffusion and chemical reactions are vital to understand and predict a wide range of phenomena, such as material growth, ion transport, and catalysis. In the calculation of activation barriers for non-redox processes in semiconductors and insulators, it has been widely assumed that the charge state remains fixed to that of the initial electronic ground state throughout a dynamical process. In this work, we demonstrate that this assumption is generally inaccurate and that a rate-limiting transition state can have a different charge state from the initial ground state. This phenomenon can significantly lower the activation barrier of a dynamical process that depends strongly on charge state, such as carbon vacancy diffusion in 4H-SiC. With inclusion of such transition state redox, the activation barrier varies continuously with Fermi level, in contrast to the step-line feature predicted by the traditional fixed-charge assumption. In this study, a straightforward approach to include the transition state redox effect is provided, the typical situations where the effect plays a significant role are identified, and the relevant electron dynamics are discussed.

36 MATERIALS SCIENCE↗

Charged dust in the outer planetary magnetospheres. I - Physical and dynamical processes

Typical interplanetary grains (Brownlee types) and the physical and dynamical processes associated with their entry into the Jovian magnetosphere are discussed. The charging and subsequent distribution of interplanetary dust grains entering the magnetosphere as well as the basic aspects of orbital dynamics of charged grains are examined. Results showed that all negatively charged fragments are strongly attracted towards the planet by the radial corotational electric field, while some are stably trapped, suggesting that the sudden enhancement by about two orders of magnitude of the interplanetary dust flux, measured at 30 Jupiter radii by Pioneer 10, is a combination of these two results. The similarity in brightness asymmetries between the Jovian and Saturnian satellites leads to the expectation that Saturn's magnetic moment and spin are parallel with the limit of plasma corotational lying between satellites Rhea and Iapetus.

Hill, J. R.↗

Collisional and dynamical processes in moon and planet formation

Research on a variety of dynamical processes relevant to the formation of planets, satellites and ring systems is discussed. The main focus is on studies of accretionary formation of early protoplanets using a numerical model, structures and evolution of ring systems and individual bodies within planetary rings, and theories of lunar origin.

Chapman, C. R.↗

Dynamic Processes in Nanostructured Crystals Under Ion Irradiation

The paper presents detailed investigations of dynamic processes occurring in nanostructured Si(Fe) material under the radiation exposure, namely: heating, thermoelastic stress generation, elastic disturbances of the surrounding medium similar to weak shock waves, and dislocation generation. The performance calculations are proposed for elastic properties of the nanostructured material with a glance to size effects in nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Computational Investigation of Melt Pool Process Dynamics and Pore Formation in Laser Powder Bed Fusion

In the laser powder bed fusion additive manufacturing process, the presence of porosity may result in cracks and significantly affects the part performance. A comprehensive understanding of the melt pool process dynamics and porosity evolution can help to improve build quality. In this study, a novel multi-physics computational fluid dynamics (CFD) model has been applied to investigate the fluid dynamics in melt pools and resultant pore defects. To accurately capture the melting and solidification process, major process physics, such as the surface tension, evaporation as well as laser multi-reflection, have been considered in the model. A discrete element method is utilized to model the generation of powder spreading upon build plate by additional numerical simulations. Multiple single track experiments have been performed to obtain the melt pool shape and cross-sectional dimension information. The predicted melt pool dimensions were found to have a reasonable agreement with experimental measurements, e.g., the errors are in the range of 1.3 to 10.6% for melt pool width, while they are between 1.4 and 15.9% for melt depth. Pores are captured by both CFD simulation and x-ray computed tomography measurement for the case with a laser power of 350 W and laser speed of 100 mm/s. The formation of keyholes maybe related to the melt pool front wall angle, and it is found that the front wall angle increases with the increase in laser line energy density. In addition, a larger laser power or smaller scanning speed can help to generate keyhole-induced pores; they also contribute to produce larger sized pores.

36 MATERIALS SCIENCE↗

Studies of dynamic processes related to active experiments in space plasmas

This is the final report for grant NAGw-2055, 'Studies of Dynamic Processes Related to Active Experiments in Space Plasmas', covering research performed at the University of Michigan. The grant was awarded to study: (1) theoretical and data analysis of data from the CHARGE-2 rocket experiment (1keV; 1-46 mA electron beam ejections) and the Spacelab-2 shuttle experiment (1keV; 100 mA); (2) studies of the interaction of an electron beam, emitted from an ionospheric platform, with the ambient neutral atmosphere and plasma by means of a newly developed computer simulation model, relating model predictions with CHARGE-2 observations of return currents observed during electron beam emissions; and (3) development of a self-consistent model for the charge distribution on a moving conducting tether in a magnetized plasma and for the potential structure in the plasma surrounding the tether. Our main results include: (1) the computer code developed for the interaction of electrons beams with the neutral atmosphere and plasma is able to model observed return fluxes to the CHARGE-2 sounding rocket payload; and (2) a 3-D electromagnetic and relativistic particle simulation code was developed.

Banks, Peter M.↗

A Study of the Kinematic and Dynamic Processes associated with Mesoscale Snowbands in a Midwest United States Snowstorm on 5 February 2020

Mesoscale snowbands are frequently responsible for dumping large amounts of snow over a relatively small region and pose a considerable forecasting challenge. The present study focuses on the mesoscale snowbands observed on 5 February 2020 over the Midwest United States. In order to improve the forecasting of mesoscale snowbands, it is important to understand the processes that organize these features. To this end, we are investigating the kinematic and dynamic processes that shape the mesoscale snowbands using a combination of high-altitude airborne radar, in-situ aircraft measurements, surface observations, and model simulations. This presentation will primarily focus on the three-dimensional structure of the mesoscale snowbands in terms of EXRAD reflectivity and horizontal winds. The horizontal winds are retrieved from the EXRAD scanning-beam Doppler velocities using a VAD technique. These winds, in combination with virtual potential temperature taken from the HRRR operational analysis, are used to compute the bulk Richardson number in order to investigate any contributions to banding features that might be tied to Kelvin-Helmholtz instability. Our analysis does not support the presence of Kelvin-Helmholtz instability. That said, low, but not subcritical, Richardson numbers were found near the top of some banding features in this event and it is possible that the model analysis is smoothing out the virtual potential temperature fields. Finally, we present arguments for using a flight module designed to sample the along-band structures with particular emphasis on observing generating cells and low-level microphysics.

Charles N. Helms↗

Imaging of dynamic processes in materials with a laser-wakefield accelerator

Betatron x rays generated from laser-wakefield accelerators are a promising source for imaging dynamic processes in materials. Here, we present proof-of-concept imaging of microstructural evolution in a hypermonotectic Al-Bi alloy, which consists of liquid Bi particles in a solid Al matrix. The images capture the elongation and fragmentation of Bi particles upon isothermal annealing. Because of the femtosecond time scale of the betatron source, the images are not subject to motion blur, whereas the accessibility of the source allows for studies of long-term processes such as annealing. The high-resolution data reveal that the evolution of Bi particles is mediated by an interplay of grain-boundary wetting and morphological instability, in stark contrast to an earlier proposal for (inverse) coarsening.

Alloys↗

Temperature dependence of nanoscale dynamic processes measured in living millipedes by high resolution inelastic and elastic neutron scattering

We have used high energy-resolution neutron scattering to probe nanoscale dynamic processes in living millipedes (Narceus americanus). We have measured the temperature dependence of the intensity of scattered neutrons that do not exchange energy with the living samples on the 1.5 ns time scale, thereby excluding the signal from the highly mobile intra- and extra-cellular bulk-like aqueous constituents in the sample. This measured “elastic” scattering intensity reflects a non-monotonic temperature dependence, with a noticeable systematic decrease detected between 295 and 303 K on warming up from 283 to 310 K. This decrease demonstrates an excellent inverse correlation with the non-monotonic, as a function of temperature, increase in the slow diffusivity previously observed in planarian flatworms and housefly larvae. This correlation indicates the existence of a biological mechanism, possibly common between different classes (Insects and Myriapods) and even phyla (Arthropods and Platyhelminthes), that dampens the slow nanoscopic dynamics in ectothermic organisms in response to the temperature of the environment exceeding the physiologically optimal range.

60 APPLIED LIFE SCIENCES↗

Dynamic process intensification: Fundamentals and implementation to ternary distillation

Distillation remains a key technology for separating liquid mixtures. Its versatility comes with the disadvantage of high energy consumption. We previously used empirical arguments to introduce dynamic process intensification (DPI) as a strategy for improving the energy efficiency of binary distillation. In this article, we focus on ternary distillation; we begin by providing a rigorous basis for DPI, then formulate the problem of identifying the operating states for DPI as a nonlinear optimization problem. Via an extensive case study considering a hydrocarbon mixture, we demonstrate that reboiler energy use can be reduced by more than 2.3% relative to an equivalent column operating at steady state. Here, we prove that this result is due to the fact that DPI aims to satisfy product flow and quality constraints on average in time, affording broader opportunities for optimizing column economics than steady-state operation, where constraints are met strictly at all times.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗