Dynamical evolution of the 2D/3D interface: a hidden driver behind perovskite solar cell instability
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99 GENERAL AND MISCELLANEOUS↗
SEARCH · Search NASA
Results for “interface dynamics”
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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Impact of particle arrays on phase separation composition patterns
We examine the symmetry-breaking effect of fixed constellations of particles on the surface-directed spinodal decomposition of binary blends in the presence of particles whose surfaces have a preferential affinity for one of the components. Our phase-field simulations indicate that the phase separation morphology in the presence of particle arrays can be tuned to have a continuous, droplet, lamellar, or hybrid morphology depending on the interparticle spacing, blend composition, and time. In particular, when the interparticle spacing is large compared to the spinodal wavelength, a transient target pattern composed of alternate rings of preferred and non-preferred phases emerges at early times, tending to adopt the symmetry of the particle configuration. We reveal that such target patterns stabilize for certain characteristic length, time, and composition scales characteristic of the pure phase-separating mixture. To illustrate the general range of phenomena exhibited by mixture-particle systems, we simulate the effects of single-particle, multi-particle, and cluster–particle systems having multiple geometrical configurations of the particle characteristic of pattern substrates on phase separation. Our simulations show that tailoring the particle configuration, or substrate pattern configuration, a relative fluid-particle composition should allow the desirable control of the phase separation morphology as in block copolymer materials, but where the scales accessible to this approach of organizing phase-separated fluids usually are significantly larger. Limited experiments confirm the trends observed in our simulations, which should provide some guidance in engineering patterned blend and other mixtures of technological interest.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
GPAW: An open Python package for electronic structure calculations
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density functional theory (DFT) equations using three different wave-function representations, namely real-space grids, plane waves, and numerical atomic orbitals. The three representations are complementary and mutually independent and can be connected by transformations via the real-space grid. This multi-basis feature renders GPAW highly versatile and unique among similar codes. By virtue of its modular structure, the GPAW code constitutes an ideal platform for the implementation of new features and methodologies. Moreover, it is well integrated with the Atomic Simulation Environment (ASE), providing a flexible and dynamic user interface. In addition to ground-state DFT calculations, GPAW supports many-body GW band structures, optical excitations from the Bethe–Salpeter Equation, variational calculations of excited states in molecules and solids via direct optimization, and real-time propagation of the Kohn–Sham equations within time-dependent DFT. A range of more advanced methods to describe magnetic excitations and non-collinear magnetism in solids are also now available. In addition, GPAW can calculate non-linear optical tensors of solids, charged crystal point defects, and much more. Recently, support for graphics processing unit (GPU) acceleration has been achieved with minor modifications to the GPAW code thanks to the CuPy library. We end the review with an outlook, describing some future plans for GPAW.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Calibration and characterization of the line-VISAR diagnostic at the HED-HIBEF instrument at the European XFEL
In dynamic-compression experiments, the line-imaging Velocity Interferometer System for Any Reflector (VISAR) is a well-established diagnostic used to probe the velocity history, including wave profiles derived from dynamically compressed interfaces and wavefronts, depending on material optical properties. Knowledge of the velocity history allows for the determination of the pressure achieved during compression. Such a VISAR analysis is often based on Fourier transform techniques and assumes that the recorded interferograms are free from image distortions. In this paper, we describe the VISAR diagnostic installed at the HED-HIBEF instrument located at the European XFEL along with its calibration and characterization. It comprises a two-color (532, 1064 nm), three-arm (with three velocity sensitivities) line imaging system. We provide a procedure to correct VISAR images for geometric distortions and evaluate the performance of the system using Fourier analysis. We finally discuss the spatial and temporal calibrations of the diagnostic. As an example, we compare the pressure extracted from the VISAR analysis of shock-compressed polyimide and silicon.
47 OTHER INSTRUMENTATION↗
Post-Transcriptional Mechanisms Respond Rapidly to Ecologically Relevant Thermal Fluctuations During Temperature-Dependent Sex Determination
An organism’s ability to integrate transient environmental cues experienced during development into molecular and physiological responses forms the basis for adaptive shifts in phenotypic trajectories. During temperature-dependent sex determination (TSD), thermal cues during discrete periods in development coordinate molecular changes that ultimately dictate sexual fate and contribute to patterns of inter- and intra-sexual variation. How these mechanisms interface with dynamic thermal environments in nature remain largely unknown. By deploying thermal loggers in wild nests of the American alligator (Alligator mississippiensis) over two consecutive breeding seasons, we observed that 80% of nests exhibit both male- and female-promoting thermal cues during the thermosensitive period, and of these nests, all exhibited both male- and female-promoting temperatures within the span of a single day. These observations raise a critical question—how are opposing environmental cues integrated into sexually dimorphic transcriptional programs across short temporal scales? To address this question, alligator embryos were exposed to fluctuating temperatures based on nest thermal profiles and sampled over the course of a daily thermal fluctuation. We examined the expression dynamics of upstream genes in the temperature-sensing pathway and find that post-transcriptional alternative splicing and transcript abundance of epigenetic modifier genes JARID2 and KDM6B respond rapidly to thermal fluctuations while transcriptional changes of downstream effector genes, SOX9 and DMRT1, occur on a delayed timescale. Our findings reveal how the basic mechanisms of TSD operate in an ecologically relevant context. We present a hypothetical hierarchical model based on our findings as well as previous studies, in which temperature-sensitive alternative splicing incrementally influences the epigenetic landscape to affect the transcriptional activity of key sex-determining genes.
59 BASIC BIOLOGICAL SCIENCES↗
Physics Flash Fall 2020
The Fall 2020 edition of Physics Flash includes article briefs on: Patrick Younk, Fusing concepts, technology to past performance of nuclear explosives; LANL inertial confinement fusion programs aims to develop burning plasma for weapons science; Lab's high energy nuclear physics explored at international conference; and, Novel study reveals new details on the impact of thermal interfaces in dynamic compression experiments.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Energetic Materials
Energetic materials comprise explosives, pyrotechnics, and propellants. The science of energetic materials is dedicated to developing a means to predict performance and safety characteristics with high fidelity. This is a particular challenge and is predicated on materials science and engineering, physics, chemistry, and dynamic response in extreme conditions. Fundamental elements of these complicated composite materials remain grand challenges—from the design of high-energy metastable molecules, to the engineering of composite formulations, to the processing parameters that link to safety and performance characteristics in as-yet undetermined ways. Key elements include crystalline mechanics, grain dynamics, multiphase interfaces, thermal and mechanical damage, and failure—all linked to multistep and high-rate chemistry and shock physics. A future revolution in our understanding and predictive capability for energetic materials behavior and responses is dependent upon sustained focus and advances in materials research and development.
36 MATERIALS SCIENCE↗
Spectroscopy and dynamics of water-silica interfaces
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Senanayake, Singappulige Hasini Shakya↗
Experiments on the properties of superfluid helium in zero gravity
The paper describes a research program designed to study the behavior of superfluid liquid helium in low and zero gravity in order to determine the properties which are critically important to its use as a stored cryogen for cooling scientific instruments aboard spacecraft for periods up to several months. The experiment program consists of a series of flights of an experiment package on a free-fall trajectory both on an aircraft and on a rocket. The objectives are to study thickness of thin films of helium as a function of acceleration, heat transfer in thin films, heat transfer across copper-liquid helium interfaces, fluid dynamics of bulk helium in high and low accelerations and under various conditions of rotations, alternate methods of separation of liquid and vapor phases and of efficient venting of the vapor, and undesirable thermomechanical oscillations in the vent pipes. Preliminary results from aircraft tests are discussed.
Mason, P.↗
A large-scale numerical model of sea ice
The described large-scale sea ice model, which is capable of coupling with atmospheric and oceanic models of comparable resolution, simulates the yearly cycle of ice in both the Northern and Southern Hemispheres. Model results for the yearly cycle of sea ice thickness and extent in both the Arctic and the Antarctic are presented. Horizontally the model resolution is approximately 200 km, while vertically four layers - ice, snow, ocean, and atmosphere - are considered. Thermodynamic processes based on energy balances at the various interfaces and dynamic processes based on wind stress, water stress, Coriolis force, internal ice resistance, and the stress from the tilt of the sea surface are incorporated. It is assumed that the ice within a given grid square is of uniform thickness, although each square has a variable percentage of its area ice free.
Parkinson, C. L.↗
Conceptual design of two-phase fluid mechanics and heat transfer facility for spacelab
Five specific experiments were analyzed to provide definition of experiments designed to evaluate two phase fluid behavior in low gravity. The conceptual design represents a fluid mechanics and heat transfer facility for a double rack in Spacelab. The five experiments are two phase flow patterns and pressure drop, flow boiling, liquid reorientation, and interface bubble dynamics. Hardware was sized, instrumentation and data recording requirements defined, and the five experiments were installed as an integrated experimental package. Applicable available hardware was selected in the experiment design and total experiment program costs were defined.
North, B. F.↗
A simple time-accurate turbomachinery algorithm with numerical solutions of an uneven blade count configuration
The present computer algorithm for the time-accurate flow analysis of rotating turbomachines is based on the finite-volume method and employs a high-resolution approximate Riemann solver for interface flux definitions and an implicit numerical scheme that possesses apparent unconditional stability. Block-block interfaces, including dynamic ones, are treated in such a way as to mimic interior block communication. The turbomachine configurations treated by way of illustration are 8-8-bladed and 11-9-bladed versions of a contrarotating unducted fan engine.
Janus, J. Mark↗
Perception and control of rotorcraft flight
Three topics which can be applied to rotorcraft flight are examined: (1) the nature of visual information; (2) what visual information is informative about; and (3) the control of visual information. The anchorage of visual perception is defined as the distribution of structure in the surrounding optical array or the distribution of optical structure over the retinal surface. A debate was provoked about whether the referent of visual event perception, and in turn control, is optical motion, kinetics, or dynamics. The interface of control theory and visual perception is also considered. The relationships among these problems is the basis of this article.
Owen, Dean H.↗
An integrated knowledge system for wind tunnel testing - Project Engineers' Intelligent Assistant
The Project Engineers' Intelligent Assistant (PEIA) is an integrated knowledge system developed using artificial intelligence technology, including hypertext, expert systems, and dynamic user interfaces. This system integrates documents, engineering codes, databases, and knowledge from domain experts into an enriched hypermedia environment and was designed to assist project engineers in planning and conducting wind tunnel tests. PEIA is a modular system which consists of an intelligent user-interface, seven modules and an integrated tool facility. Hypermedia technology is discussed and the seven PEIA modules are described. System maintenance and updating is very easy due to the modular structure and the integrated tool facility provides user access to commercial software shells for documentation, reporting, or database updating. PEIA is expected to provide project engineers with technical information, increase efficiency and productivity, and provide a realistic tool for personnel training.
Lo, Ching F.↗
Parallel computational fluid dynamics - Implementations and results
The present volume on parallel CFD discusses implementations on parallel machines, numerical algorithms for parallel CFD, and performance evaluation and computer science issues. Attention is given to a parallel algorithm for compressible flows through rotor-stator combinations, a massively parallel Euler solver for unstructured grids, a fast scheme to analyze 3D disk airflow on a parallel computer, and a block implicit multigrid solution of the Euler equations. Topics addressed include a 3D ADI algorithm on distributed memory multiprocessors, clustered element-by-element computations for fluid flow, hypercube FFT and the Fourier pseudospectral method, and an investigation of parallel iterative algorithms for CFD. Also discussed are fluid dynamics using interface methods on parallel processors, sorting for particle flow simulation on the connection machine, a large grain mapping method, and efforts toward a Teraflops capability for CFD.
Simon, Horst D.↗
Cryogenic Fuel Tank Draining Analysis Model
One of the technological challenges in designing advanced hypersonic aircraft and the next generation of spacecraft is developing reusable flight-weight cryogenic fuel tanks. As an aid in the design and analysis of these cryogenic tanks, a computational fluid dynamics (CFD) model has been developed specifically for the analysis of flow in a cryogenic fuel tank. This model employs the full set of Navier-Stokes equations, except that viscous dissipation is neglected in the energy equation. An explicit finite difference technique in two-dimensional generalized coordinates, approximated to second-order accuracy in both space and time is used. The stiffness resulting from the low Mach number is resolved by using artificial compressibility. The model simulates the transient, two-dimensional draining of a fuel tank cross section. To calculate the slosh wave dynamics the interface between the ullage gas and liquid fuel is modeled as a free surface. Then, experimental data for free convection inside a horizontal cylinder are compared with model results. Finally, cryogenic tank draining calculations are performed with three different wall heat fluxes to demonstrate the effect of wall heat flux on the internal tank flow field.
Greer, Donald↗
Waves in Radial Gravity Using Magnetic Fluid
Terrestrial laboratory experiments studying various fluid dynamical processes are constrained, by being in an Earth laboratory, to have a gravitational body force which is uniform and unidirectional. Therefore fluid free-surfaces are horizontal and flat. Such free surfaces must have a vertical solid boundary to keep the fluid from spreading horizontally along a gravitational potential surface. In atmospheric, oceanic, or stellar fluid flows that have a horizontal scale of about one-tenth the body radius or larger, sphericity is important in the dynamics. Further, fluids in spherical geometry can cover an entire domain without any sidewall effects, i.e. have truly periodic boundary conditions. We describe spherical body-force laboratory experiments using ferrofluid. Ferrofluids are dilute suspensions of magnetic dipoles, for example magnetite particles of order 10 nm diameter, suspended in a carrier fluid. Ferrofluids are subject to an additional body force in the presence of an applied magnetic field gradient. We use this body force to conduct laboratory experiments in spherical geometry. The present study is a laboratory technique improvement. The apparatus is cylindrically axisymmetric. A cylindrical ceramic magnet is embedded in a smooth, solid, spherical PVC ball. The geopotential field and its gradient, the body force, were made nearly spherical by careful choice of magnet height-to-diameter ratio and magnet size relative to the PVC ball size. Terrestrial gravity is eliminated from the dynamics by immersing the "planet" and its ferrofluid "ocean" in an immiscible silicone oil/freon mixture of the same density. Thus the earth gravity is removed from the dynamics of the ferrofluid/oil interface and the only dynamically active force there is the radial magnetic gravity. The entire apparatus can rotate, and waves are forced on the ferrofluid surface by exterior magnets. The biggest improvement in technique is in the wave visualization. Fluorescing dye is added to the oil/freon mixture and an argon ion laser generates a horizontal light that can be scanned vertically. Viewed from above, the experiment is a black circle with wave deformations surrounded by a light background. A contour of the image intensity at any light sheet position gives the surface of the ferrofluid "ocean" at that "latitude". Radial displacements of the waves as a function of longitude are obtained by subtracting the contour line positions from a no-motion contour at that laser sheet latitude. The experiments are run by traversing the forcing magnet with the laser sheet height fixed and images are frame grabbed to obtain a time-series at one latitude. The experiment is then re-run with another laser-sheet height to generate a full picture of the three-dimensional wave structure in the upper hemisphere of the ball as a function of time. We concentrate here on results of laboratory studies of waves that are important in Earth's atmosphere and especially the ocean. To get oceanic scaling in the laboratory, the experiment must rotate rapidly (4-second rotation period) so that the wave speed is slow compared to the planetary rotation speed as in the ocean. In the Pacific Ocean, eastward propagating Kelvin waves eventually run into the South American coast. Theory predicts that some of the wave energy should scatter into coastal-trapped Kelvin waves that propagate north and south along the coast. Some of this coastal wave energy might then scatter into mid-latitude Rossby waves that propagate back westward. Satellite observations of the Pacific Ocean sea-surface temperature and height seem to show signatures of westward propagating mid-latitude Rossby waves, 5 to 10 years after the 1982-83 El Nino. The observational data is difficult to interpret unambiguously owing to the large range of motions that fill the ocean at shorter timescales. This series of reflections giving eastward, north- ward, and then westward traveling waves is observed cleanly in the laboratory experiments, confirming the theoretical expectations.
Ohlsen, D. R.↗
Sentiment of Search: KM and IT for User Expectations
User perceived value is the number one indicator of a successful implementation of KM and IT collaborations. The system known as "Search" requires more strategy and workflow that a mere data dump or ungoverned infrastructure can provide. Monitoring of user sentiment can be a driver for providing objective measures of success and justifying changes to the user interface. The dynamic nature of information technology makes traditional usability metrics difficult to identify, yet easy to argue against. There is little disagreement, however, on the criticality of adapting to user needs and expectations. The Systems Usability Scale (SUS), developed by John Brook in 1986 has become an industry standard for usability engineering. The first phase of a modified SUS, polls the sentiment of representative users of the JSC Search system. This information can be used to correlate user determined value with types of information sought and how the system is (or is not) meeting expectations. Sentiment analysis by way of the SUS assists an organization in identification and prioritization of the KM and IT variables impacting user perceived value. A secondary, user group focused analysis is the topic of additional work that demonstrates the impact of specific changes dictated by user sentiment.
Berndt, Sarah Ann↗