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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 145 records · Page 8

Transportation and electricity systems integration via electric vehicle charging-as-a-service: A review of techno-economic and societal benefits

Here, in support of global decarbonization efforts, the adoption of electric vehicles is proceeding rapidly across transportation sectors, population groups, and regions. However, access to electric vehicle charging infrastructure remains sparse and inequitable, and technical, economic, and procedural challenges have encumbered its expansion. Charging-as-a-service, which can mitigate cost and effort risks of charging equipment ownership, adds a means of meeting many of these challenges. As charging-as-a-service has not been analyzed or addressed in the scholarly literature, we synthesize media, marketing, and analogous scholarly publications to categorize and describe the functions asserted by existing charging-as-a-service vendors. We demonstrate and quantify the benefits of many of these functions via four example business cases, sited at a detached residence, a multi-unit dwelling, a consumer-facing business, and a commercial fleet depot. Outcomes show that savings and revenues realized via charging-as-a-service can reduce charging costs, beneficially shape grid loads, and make charging installation economical where it otherwise would not be. Discussion highlights the need to deploy charging-as-a-service in cooperation with initiatives promoting societal benefits, including charging access equity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Signatures of an energetic charged body streaming in a plasma

A charged body moving in a plasma can excite a variety of linear and nonlinear waves in the form of trailing wakes, fore-wake shocks, and precursor solitons. These structures can further interact with the background plasma to create secondary effects that can serve as signatures of the passage of the charged body. Using particle-in-cell simulations, we carry out a basic investigation of the dynamics of a plasma system that is being traversed by an energetic charged body. Using two different shapes of this charged source, namely, an idealized infinite length planar source and a two-dimensional thin rectangular source, we examine the differences in the nature of the excited wave structures and their consequent impact on the background plasma. Our simulations reveal interesting features such as the dependence of the precursor speeds on the total charge on the driving source, local particle trapping, and energization of the trapped particles in various regions along the traversal path leading to the formation of energetic charged beamlets. So our basic findings could find practical applications such as in analyzing the trajectories of charged objects like space debris orbiting in the ionosphere.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Computation on collisionless steady-state plasma flow past a charged disk

A computer method is presented using the 'inside-out' approach, for predicting the structure of the disturbed zone near a moving body in space. The approach uses fewer simplifying assumptions than other available methods, and is applicable to large ranges of the values of body and plasma parameters. Two major advances concerning 3-dimensional bodies are that thermal motions of ions as well as of electrons are treated realistically by following their trajectories in the electric field, and the technique for achieving self-consistency is promising for very large bodies. Three sample solutions were obtained for a disk-shaped body, charged negatively to a potential 4kT/e. With ion Mach number 4, and equal ion and electron temperatures, the wakes of a relatively small body (radius 5 Debye lengths) and a relatively large body (radius 100 Debye lengths) both begin to fill up between 2 and 3 body radii downstream. For the large body there is in addition a potential well (about 6kT/e deep) behind the body. Increasing the ion Mach number to 8 for the large body causes the potential well to become wider and longer but not deeper. For the large body, the quasineutrality assumption is validated outside of a cone-shaped region in the very near wake. For the large as well as the small body, the disturbed zone behind the body extends transversely no more than 2 or 3 body radii, a result of significance for the design of spacecraft boom instrumentation.

Parker, L. W.↗

Smart pixel sensors: towards on-sensor filtering of pixel clusters with deep learning

Highly granular pixel detectors allow for increasingly precise measurements of charged particle tracks. Next-generation detectors require that pixel sizes will be further reduced, leading to unprecedented data rates exceeding those foreseen at the High- Luminosity Large Hadron Collider. Signal processing that handles data incoming at a rate of $\mathcal{O}$(40 MHz) and intelligently reduces the data within the pixelated region of the detector at rate will enhance physics performance at high luminosity and enable physics analyses that are not currently possible. Using the shape of charge clusters deposited in an array of small pixels, the physical properties of the traversing particle can be extracted with locally customized neural networks. In this first demonstration, we present a neural network that can be embedded into the on-sensor readout and filter out hits from low momentum tracks, reducing the detector's data volume by 57.1%–75.7%. The network is designed and simulated as a custom readout integrated circuit with 28 nm CMOS technology and is expected to operate at less than 300 μW with an area of less than 0.2 mm 2 . The temporal development of charge clusters is investigated to demonstrate possible future performance gains, and there is also a discussion of future algorithmic and technological improvements that could enhance efficiency, data reduction, and power per area.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Cation Adaptive Structures Based on Manganese Cyanide Prussian Blue Analogues: Application of Powder Diffraction Data to Solve Complex, Unprecedented Stoichiometries and New Structure Types

Abstract A Mn(II) salt and A + CN − under anaerobic conditions react to form 2‐D and 3‐D extended structured compounds of A m Mn II n (CN) m+2n stoichiometry. Here, the creation and characterization of this large family of compounds, for example AMn II 3 (CN) 7 , A 2 Mn II 3 (CN) 8 , A 2 Mn II 5 (CN) 12 , A 3 Mn II 5 (CN) 13 , and A 2 Mn II [Mn II (CN) 6 ], where A represents alkali and tetraalkylammonium cations, is reviewed. Cs 2 Mn II [Mn II (CN) 6 ] has the typical Prussian blue face centered cubic unit cell. However, the other alkali salts are monoclinic or rhombohedral. This is in accord with smaller alkali cation radii creating void space that is minimized by increasing the van der Waals stabilization energy by reducing ∠Mn−N≡C, which, strengthens the magnetic coupling and increases the magnetic ordering temperatures. This is attributed to the non‐rigidity of the framework structure due the significant ionic character associated with the high‐spin Mn II sites. For larger tetraalkylammonium cations, the high‐spin Mn sites lack sufficient electrostatic A + ⋅⋅⋅NC stabilization and form unexpected 4‐ and 5‐coordinated Mn sites within a flexible, extended framework around the cation; hence, the size, shape, and charge of the cation dictate the unprecedented stoichio‐metry and unpredictable cation adaptive structures. Antiferromagnetic coupling between adjacent Mn II sites leads to ferrimagnetic ordering, but in some cases antiferromagnetic coupling of ferrimagnetic layers are compensated and synthetic antiferromagnets are observed. The magnetic ordering temperatures for ferrimagnetic A 2 Mn II [Mn II (CN) 6 ] with both octahedral high‐ and low‐spin Mn II sites increase with decreasing ∠Mn−N≡C. The crystal structures for all of the extended structured materials were obtained by powder diffraction.

Chemistry↗

Synchrotron Photoionization Study of the Diisopropyl Ether Oxidation

Abstract Scientific evidence has shown oxygenates help to reduce dangerous pollutants arising from burning fossil fuel in the automotive sector. For this reason, their use as additives has spread widely. The aim of this work consists in providing a comprehensive identification of the main primary oxidation products of diisopropyl ether (DIPE), one of the most promising among etheric oxygenates. The Cl‐initiated oxidation of DIPE is examinated by using a vacuum ultraviolet (VUV) synchrotron radiation at the Advanced Light Source (ALS) of the Lawrence Berkeley National Laboratory (LBNL). Products are identified on the basis of their mass‐to‐charge ratio, shape of photoionization spectra, adiabatic ionization energies, and chemical kinetic profiles, at three different temperatures (298, 550, and 650 K). Acetone, propanal, propene, and isopropyl acetate have been identified as major reaction products. Acetone is the main primary product. Theoretical calculations using the composite CBS‐QB3 method provided useful tools to validate the postulated reaction mechanisms leading to experimentally observed species. The formation of other species is also discussed.

Giustini, Andrea↗

Molecular dynamics simulations of a dicationic ionic liquid for CO 2 capture

A dicationic ionic liquid ([DBU-PEG][Tf 2 N] 2 ) was studied using classical molecular dynamics simulations to examine its structural and gas separation properties. The dication was designed in an attempt to improve CO 2 solubility by means of tuning the cation-anion interactions of the ionic liquid (IL). The computational model was compared to experimentally obtained density, viscosity, and powder X-ray diffraction spectra. The structure of the IL was further investigated with radial distribution functions and free volume analysis through cavity distributions. It was found that the shape and charge distribution of the dication enhances CO 2 interaction: the CO 2 molecule is hugged by the dication along the PEG linker and close to one of the cationic ends. Here, the geminal design of the dication allows for strong interaction with CO 2 , showing promise as a means of carbon capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Systematic Way to Extend the Debye–Hückel Theory beyond Dilute Electrolyte Solutions

An extended Debye–Hückel theory with fourth order gradient term is developed for electrolyte solutions; namely, the electric potential φ(r) of the bulk electrolyte solution can be described by ∇ 2 φ(r) = κ 2 φ(r) + L Q 2 ∇ 4 φ(r), where the parameters κ and L Q are chosen to reproduce the first two roots of the dielectric response function of the bulk solution. Three boundary conditions for solving the electric potential problem are proposed based upon the continuity conditions of involving functions at the dielectric boundary, with which a boundary element method for the electric potential of a solute with a general geometrical shape and charge distribution is derived. Solutions for the electric potential of a spherical ion and a diatomic molecule are found and used to calculate their electrostatic solvation energies. In this work, the validity of the theory is successfully demonstrated when applied to binary as well as multicomponent primitive models of electrolyte solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Woolwich, Bruceton, Los Alamos: Munroe Jets and the Trinity Gadget

Prewar work on the hydrodynamics of explosives and U.S./UK scientific cooperation well beyond Los Alamos contributed to the design of the explosive lenses for the Trinity gadget. Researchers were deliberately brought together and encouraged to share ideas by the leaders of the wartime laboratory. James Tuck, one of the British mission scientists, made particularly interesting contributions in this area, but this paper is not a claim of British or any other individual parentage. Rather, it highlights the importance of collaboration at Los Alamos and more widely.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Simulation of Nanoscale High-Efficiency Thermionic Converters

LBNL provided development and feedback for Warp's mesh refinement solver and cutcell capabilities, authoring adjusted implementations for use with the dielectric solver in 3D. This work has been documented in a separate branch of the RadiaSoft Warp fork, and is currently under review. LBNL has also provided feedback on the new tests developed to study dielectric charging and shaped emitters. The LBNL contributions enabled the Radiasoft team to progress steadily and meet the goal of the projects for the duration of the collaboration. Results have been reported in one refereed paper, three proceeding papers, four oral and six poster presentions.

30 DIRECT ENERGY CONVERSION↗

Smart pixel sensors Towards on-sensor filtering of pixel clusters with deep learning

High granularity silicon pixel sensors are at the heart of energy frontier particle physics collider experiments. At an collision rate of 40\,MHz, these detectors create massive amounts of data. Signal processing that handles data incoming at those rate and intelligently reduces the data within the pixelated region of the detector \textit{at rate} will enhance physics performance and enable physics analyses that are not currently possible. Using the shape of charge clusters deposited in an array of small pixels, the physical properties of the traversing particle can be extracted with locally customized neural networks. In this first work, we present a neural network that can be embedded into the on-sensor readout and filter out hits from low momentum tracks, reducing the detector's data volume by 54.4-75.4\%. The network is designed and simulated as a custom readout integrated circuit with 28\,nm CMOS technology and is expected to operate at less than 300\,$\mu W$ with an area of less than 0.2\,mm$^2$.

43 PARTICLE ACCELERATORS↗

Review of sonic-boom simulation devices and techniques.

Research on aircraft-generated sonic booms has led to the development of special techniques to generate controlled sonic-boom-type disturbances without the complications and expense of supersonic flight operations. This paper contains brief descriptions of several of these techniques along with the significant hardware items involved and indicates the advantages and disadvantages of each in research applications. Included are wind tunnels, ballistic ranges, spark discharges, piston phones, shock tubes, high-speed valve systems, and shaped explosive charges. Specialized applications include sonic-boom generation and propagation studies and the responses of structures, terrain, people, and animals. Situations for which simulators are applicable are shown to include both small-scale and large-scale laboratory tests and full-scale field tests. Although no one approach to simulation is ideal, the various techniques available generally complement each other to provide desired capability for a broad range of sonic-boom studies.

Edge, P. M., Jr.↗

Sidewall penetrator for oil wells

Penetrator bores horizontal holes in well casing to increase trapped oil drainage. Several penetrators operated by common drive are inserted into well at once. Shaft, made from spiraling cable, rotates and thrusts simultaneously through rigid curvilinear guide tube forcing bit through casing into strata. Device pierces more deeply than armor-piercing bullets and shaped explosive charges.

Collins, E. R., Jr.↗

Explosively activated egress area

A lightweight, add on structure which employs linear shaped pyrotechnic charges to smoothly cut an airframe along an egress area periphery is provided. It compromises reaction surfaces attached to the exterior surface of the airframe's skin and is designed to restrict the skin deflection. That portion of the airframe within the egress area periphery is jettisoned. Retention surfaces and sealing walls are attached to the interior surface of the airframe's skin and are designed to shield the interior of the aircraft during detonation of the pyrotechnic charges.

Bement, L. J.↗

Optical Scattering Characterization for the Glennan Microsystems Microscale Particulate Classifier

Small sensors that are tolerant to mechanically and thermally harsh environments present the possibility for in-situ particle characterization in propulsion, industrial, and planetary science applications. Under a continuing grant from the Glennan Microsystems Initiative to the Microgravity Fluids Physics Branch of the NASA-Glenn Research Center, a Microscale Particle Classifier (MiPAC) instrument is being developed. The MiPAC instrument will be capable of determining the size distribution of airborne particles from about 1 nm to 30 micrometers, and will provide partial information as to the concentration, charge state, shape, and structure of the particles, while being an order of magnitude smaller in size and lighter in weight than presently commercially available instruments. The portion of the instrument that will characterize the nm-range particles will employ electrical mobility techniques and is being developed under a separate grant to Prof. David Pui of the University of Minnesota. The portion of the instrument that will characterize the micrometer-size particles such as dirt, pollens, spores, molds, soot, and combustion aerosols will use light scattering techniques. The development of data analysis techniques to be employed in the light scattering portion of the instrument is covered by this grant.

Lock, James A.↗

Nucleation and Growth According to Lysozyme

How does one take a molecule, strongly asymmetric in both shape and charge distribution, and assemble it into a crystal? We propose a model for the nucleation and crystal growth process for tetragonal lysozyme that may be very germane to other monomeric proteins. The first species formed is postulated to be a dimer. Through repeating associations involving the same intermolecular interactions this becomes the 4(sub 3) helix, that in turn serves as the basic unit for nucleation and crystal growth. High salt attenuates surface charges while promoting hydrophobic interactions. Symmetry facilitates helix self-association. Assembly stability is enhanced when a four helix structure is obtained, with each bound to two neighbors. Only two unique interactions are required. The first are those for helix formation, where the dominant interaction is the intermolecular bridging anion. The second is the anti-parallel side-by-side helix-helix interaction, guided by alternating pairs of symmetry related salt bridges along each side. At this stage all eight unique positions of the P4(sub 3)2(sub 1)2(sub 1) unit cell are filled. From the above, the process is one of a) attenuating the most strongly interacting groups, such that b) the molecules begin to self-associate in defined patterns, so that c) symmetry is obtained, which d) propagates as a growing crystal. Simple and conceptually obvious in hindsight, this tells much about what we are empirically doing when we crystallize macromolecules. By adjusting the solution parameters we are empirically balancing the intermolecular interactions, preferentially attenuating the dominant strong (for lysozyme the charged groups) while strengthening the lesser strong (hydrophobic) interactions. Lysozyme is atypical in the breadth of its crystallization conditions; many proteins only crystallize under narrowly defined conditions, pointing to the criticality of the empirical balancing process. Lack of a singularly defined association pathway leads to formation of multiple species, i.e., amorphous precipitation. Weak interactions, such as hydrogen bonds, are promiscuous, serving to strengthen rather than define specific interactions. Participation in an interaction sequesters that surface from subsequent interactions, and we expect the strongest bonds to form first. When two molecules self associate the resulting species will have an axis of symmetry. Subsequent interactions between two associated species having equivalent interactions will also have symmetry. Only a few unique sets of interactions are required to give any of the commonly found space groups for monomeric proteins. This model and what it suggests will be discussed.

Pusey, Marc L.↗

A Proposed Pathway for the Nucleation and Crystal Growth of the Tetragonal Form of Lysozyme

A number of factors, the shape and charge distribution anisotropy, multiple components in the solution (buffer + counter ion, precipitant, protein, and water), conformational flexibility, and large numbers of intermolecular contacts, all serve as complicating variables in understanding the nucleation and growth mechanism for macromolecules. Intermolecular contacts include hydrogen bonds, van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and give specificity while the others are weaker, more prevalent, and more promiscuous, i.e., can lead to a range of possible molecular interactions. We propose that for tetragonal lysozyme, and by extension many other monomeric proteins, there is a solution-phase assembly process to form 4(sub 3) helix structures that are the basic unit for nucleation. The formation of these structures is continuous and concentration dependent. They subsequently also servc as growth units, with that process then being a recapitulation of the nucleation process. The advantages of solution phase assembly are the immediate burying of the strongest interactions, removing them from subsequent participation in the nucleation and growth process, and the introduction of symmetry into the system, which also assists in the assembly process.

Pusey, Marc L.↗

A Proposed Model for Protein Crystal Nucleation and Growth

How does one take a molecule, strongly asymmetric in both shape and charge distribution, and assemble it into a crystal? We propose a model for the nucleation and crystal growth process for tetragonal lysozyme, based upon fluorescence, light, neutron, and X-ray scattering data, size exclusion chromatography experiments, dialysis kinetics, AFM, and modeling of growth rate data, from this and other laboratories. The first species formed is postulated to be a 'head to side' dimer. Through repeating associations involving the same intermolecular interactions this grows to a 4(sub 3) helix structure, that in turn serves as the basic unit for nucleation and subsequent crystal growth. High salt attenuates surface charges while promoting hydrophobic interactions. Symmetry facilitates subsequent helix-helix self-association. Assembly stability is enhanced when a four helix structure is obtained, with each bound to two neighbors. Only two unique interactions are required. The first are those for helix formation, where the dominant interaction is the intermolecular bridging anion. The second is the anti-parallel side-by-side helix-helix interaction, guided by alternating pairs of symmetry related salt bridges along each side. At this stage all eight unique positions of the P4(sub3)2(sub 1),2(sub 1) unit cell are filled. The process is one of a) attenuating the most strongly interacting groups, such that b) the molecules begin to self-associate in defined patterns, so that c) symmetry is obtained, which d) propagates as a growing crystal. Simple and conceptually obvious in hindsight, this tells much about what we are empirically doing when we crystallize macromolecules. By adjusting the growth parameters we are empirically balancing the intermolecular interactions, preferentially attenuating the dominant strong (for lysozyme the charged groups) while strengthening the lesser strong (hydrophobic) interactions. In the general case for proteins the lack of a singularly defined association pathway may lead to formation of multiple species, i.e., amorphous precipitation. Weak interactions, such as hydrogen bonds, are promiscuous, serving to strengthen rather than define specific interactions. Participation in an interaction sequesters that surface from subsequent interactions, and we expect the strongest bonds to form first. This model, its basis, how it fits into the currently understood osmotic second virial coefficient approach to crystallization, and what it suggests will be discussed.

Pusey, Marc↗