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Results for “Dynamics of phase separation”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Phase separation of metallic hydrogen-helium alloys

Calculations are presented for the thermodynamic functions and phase-separation boundaries of solid metallic hydrogen-helium alloys at temperatures between zero and 19,000 K and at pressures between 15 and 90 Mbar. Expressions for the band-structure energy of a randomly disordered alloy (including third order in the electron-ion interaction) are derived and evaluated. Short- and long-range orders are included by the quasi-chemical method, and lattice dynamics in the virtual-crystal harmonic approximation. It is concluded that at temperatures below 4000 K, there is essentially complete phase separation of hydrogen-helium alloys and that a miscibility gap remains at the highest temperatures and pressures considered. The relevance of these results to models of the deep interior of Jupiter is briefly discussed.

Straus, D. M.↗
NASA NTRS2007

Fault Detection and Correction for the Solar Dynamics Observatory Attitude Control System

The Solar Dynamics Observatory is an Explorer-class mission that will launch in early 2009. The spacecraft will operate in a geosynchronous orbit, sending data 24 hours a day to a devoted ground station in White Sands, New Mexico. It will carry a suite of instruments designed to observe the Sun in multiple wavelengths at unprecedented resolution. The Atmospheric Imaging Assembly includes four telescopes with focal plane CCDs that can image the full solar disk in four different visible wavelengths. The Extreme-ultraviolet Variability Experiment will collect time-correlated data on the activity of the Sun's corona. The Helioseismic and Magnetic Imager will enable study of pressure waves moving through the body of the Sun. The attitude control system on Solar Dynamics Observatory is responsible for four main phases of activity. The physical safety of the spacecraft after separation must be guaranteed. Fine attitude determination and control must be sufficient for instrument calibration maneuvers. The mission science mode requires 2-arcsecond control according to error signals provided by guide telescopes on the Atmospheric Imaging Assembly, one of the three instruments to be carried. Lastly, accurate execution of linear and angular momentum changes to the spacecraft must be provided for momentum management and orbit maintenance. In th~sp aper, single-fault tolerant fault detection and correction of the Solar Dynamics Observatory attitude control system is described. The attitude control hardware suite for the mission is catalogued, with special attention to redundancy at the hardware level. Four reaction wheels are used where any three are satisfactory. Four pairs of redundant thrusters are employed for orbit change maneuvers and momentum management. Three two-axis gyroscopes provide full redundancy for rate sensing. A digital Sun sensor and two autonomous star trackers provide two-out-of-three redundancy for fine attitude determination. The use of software to maximize chances of recovery from any hardware or software fault is detailed. A generic fault detection and correction software structure is used, allowing additions, deletions, and adjustments to fault detection and correction rules. This software structure is fed by in-line fault tests that are also able to take appropriate actions to avoid corruption of the data stream.

Starin, Scott R.↗
DOE OSTI2026

Neural network potentials with effective charge separation for non-equilibrium dynamics of ionic solids: a ZnO case study

Developing neural network potentials (NNPs) accurate under non-equilibrium dynamics is challenging, as such systems require extensive sampling beyond equilibrium phases. Here we construct high-fidelity NNPs for zinc oxide (ZnO), a polymorphic ionic solid, using density functional theory (DFT) reference data. To efficiently capture transitional configurations, we combine enhanced-sampling molecular dynamics with empirical potentials, data distillation, and pretraining on short-range atomic energies (A-Train), followed by transfer learning with DFT-relabeled datasets. This hierarchical approach improves transferability across polymorphs and stress states. We further introduce effective charge separation, treating long-range Coulombic terms analytically while short-range residual interactions are learned by the NNP. The optimal effective charges fall in the range 0.5–1.0 q e , consistent with dielectric-screened values derived from formal charges but distinct from Bader estimates. Motivated by this observation, we propose a simple data-driven protocol in which effective charges are optimized by comparing DFT reference energies with explicit Coulomb calculations, without additional NNP training. This strategy improves accuracy and transferability in DFT-level predictions of energies, forces, and stress. Together, these results provide a practical charge-selection framework for robust NNP development in ionic solids, enabling reliable simulation of polymorphic phase transformations and non-equilibrium dynamics.

Chemistry↗
DOE OSTI2026

Higher symmetry breaking and nonreciprocity in a driven-dissipative Dicke model

Higher symmetries in interacting many-body systems often give rise to new phases and unexpected dynamical behavior. Here, we theoretically investigate a variant of the Dicke model with higher-order discrete symmetry, resulting from complex-valued coupling coefficients between quantum emitters and a bosonic mode. We propose a driven-dissipative realization of this model focusing on optomechanical response of a driven atom tweezer array comprised of 𝑛 subensembles and placed within an optical cavity, with the phase of the driving field advancing stepwise between subensembles. Examining stationary points and their dynamical stability, we identify a phase diagram for 𝑛≥3 with three distinctive features: a ℤ 𝑛 (ℤ 2⁢𝑛 ) symmetry-breaking superradiant phase for even (odd) 𝑛, a normal unbroken-symmetry phase that is dynamically unstable due to nonreciprocal forces between emitters, and a first-order phase transition separating these phases. This 𝑛-phase Dicke model may be equivalently realized in a variety of optomechanical or optomagnonic settings, where it can serve as a test bed for studying high-order symmetry breaking and nonreciprocal interactions in open systems.

Non-reciprocal propagation↗
NASA NTRS2009

Simultaneous Multiple-Location Separation Control

A method of controlling a shear layer for a fluid dynamic body introduces first periodic disturbances into the fluid medium at a first flow separation location. Simultaneously, second periodic disturbances are introduced into the fluid medium at a second flow separation location. A phase difference between the first and second periodic disturbances is adjusted to control flow separation of the shear layer as the fluid medium moves over the fluid dynamic body.

Greenblatt, David↗
DOE OSTI2023

Atomic Dynamics of Multi‐Interfacial Migration and Transformations

Redox-induced interconversions of metal oxidation states typically result in multiple phase boundaries that separate chemically and structurally distinct oxides and suboxides. Directly probing such multi-interfacial reactions is challenging because of the difficulty in simultaneously resolving the multiple reaction fronts at the atomic scale. Using the example of CuO reduction in H 2 gas, a reaction pathway of CuO → monoclinic m-Cu 4 O 3 → Cu 2 O is demonstrated and identifies interfacial reaction fronts at the atomic scale, where the Cu 2 O/m-Cu 4 O 3 interface shows a diffuse-type interfacial transformation; while the lateral flow of interfacial ledges appears to control the m-Cu 4 O 3 /CuO transformation. Together with atomistic modeling, it is shown that such a multi-interface transformation results from the surface-reaction-induced formation of oxygen vacancies that diffuse into deeper atomic layers, thereby resulting in the formation of the lower oxides of Cu 2 O and m-Cu 4 O 3 , and activate the interfacial transformations. In conclusion, these results demonstrate the lively dynamics at the reaction fronts of the multiple interfaces and have substantial implications for controlling the microstructure and interphase boundaries by coupling the interplay between the surface reaction dynamics and the resulting mass transport and phase evolution in the subsurface and bulk.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Ion drift meter research

The final activity period for the DE project has been particularly productive. This period has seen the final delivery of geophysical data sets to the National Space Science Data Center, the granting of three Ph.D. degrees from cumulative work on the project, the operation of automatic data access and display routines for the data, and an increased effort in research and publication of the data. As before the research activities, largely devoted to studies involving the dynamics of the ionosphere, utilize data from the IDM and the RPA and thus the work is not easily attributable to one or the other of these separately funded efforts. In this final report we provide brief descriptions of the work accomplished in the final phase of the program. The Dynamics Explorer program has provided a significant opportunity for much of the community to participate in the data analysis and interpretation. The data, now residing in the national space science data center, are a great legacy that should continue to yield important results for many years.

Heelis, Roderick A.↗
NASA NTRS2020

A Framework for Understanding and Quantifying the Loss and Acceleration of Relativistic Electrons in the Outer Radiation Belt During Geomagnetic Storms

We present detailed analysis of the global relativistic electron dynamics as measured by total radiation belt content (RBC) during coronal mass ejection (CME) and corotating interaction region (CIR)-driven geomagnetic storms. Recent work has demonstrated that the response of the outer radiation belt is consistent and repeatable during geomagnetic storms. Here we build on this work to show that radiation belt dynamics can be divided into two sequential phases, which have different solar wind dependencies and which when analyzed separately reveal that the radiation belt responds more predictably than if the overall storm response is analyzed as a whole. In terms of RBC, in every storm we analyzed, a phase dominated by loss is followed by a phase dominated by acceleration. Analysis of the RBC during each of these phases demonstrates that they both respond coherently to solar wind and magnetospheric driving. However, the response is independent of whether the storm response is associated with either a CME or CIR. Our analysis shows that during the initial phase, radiation belt loss is organized by the location of the magnetopause and the strength of Dst and ultralow frequency wave power. During the second phase, radiation belt enhancements are well organized by the amplitude of ultralow frequency waves, the auroral electroject index, and solar wind energy input. Overall, our results demonstrate that storm time dynamics of the RBC is repeatable and well characterized by solar wind and geomagnetic driving, albeit with different dependencies during the two phases of a storm.

Kyle R. Murphy↗
NASA NTRS2008

Computational Investigation of the NASA Cascade Cyclonic Separation Device

Devices designed to replace the absent buoyancy separation mechanism within a microgravity environment are of considerable interest to NASA as the functionality of many spacecraft systems are dependent on the proper sequestration of interpenetrating gas and liquid phases. Inasmuch, a full multifluid Euler-Euler computational fluid dynamics investigation has been undertaken to evaluate the performance characteristics of one such device, the Cascade Cyclonic Separator, across a full range of inlet volumetric quality with combined volumetric injection rates varying from 1 L/min to 20 L/min. These simulations have delimited the general modes of operation of this class of devices and have proven able to describe the complicated vortex structure and induced pressure gradients that arise. The computational work has furthermore been utilized to analyze design modifications that enhance the overall performance of these devices. The promising results indicate that proper CFD modeling may be successfully used as a tool for microgravity separator design.

Hoyt, Nathaniel C.↗
NASA NTRS1987

Simulated sudden stratospheric warming - Synoptic evolution

An analysis is presented of a sudden stratospheric warming event which occurred spontaneously during a general circulation model simulation of the global atmospheric circulation. Two separate warming pulses exhibit the same dynamical evolution with a 'cycle' of about two weeks. Two distinct phases of the warming cycle are apparent: (1) the generation of an intense localized warm cell in conjunction with significant adiabatic heating associated with cross-isobar flow which has been induced by vertically propagating long wave disturbances; and (2) the northward transport of that warm cell via advection by the essentially geostrophic windfield corresponding to an intense, offset polar cyclone, in conjunction with a strong Aleutian anticyclone. During the first warming pulse in January, a moderate Aleutian anticyclone was in place prior to the warming cycle and was intensified by interaction with an eastward traveling anticyclone induced by the differential advection of the warm cell. The second warming pulse occurred in early February with a strong Aleutian anticyclone already established. In contrast to the January event, the warming in February culminated with reversal of the zonal westerlies to easterlies over a significant depth of the stratosphere.

Blackshear, W. T.↗
DOE OSTI2026

Structural Heterogeneity and Hydrodynamics of an Intrinsically Disordered Protein Condensate

Biology demonstrates precise control over the free-energy landscape through the selective partitioning of biomacromolecules into membraneless organelles, enabling essential functions such as biochemical transformations, signaling cascades, and mechanical reinforcement. Although the function of these condensates depends on their underlying structure and hydrodynamics, molecular-scale information on these systems remains sparse. Here, in this study, neutron scattering is used to probe the organization and dynamics of the intrinsically disordered N-terminal domain of Galectin-3, an extracellular lectin responsible for facilitating liquid–liquid phase separation on the cellular surface, in both dilute and condensed phases. Dilute solutions contain isolated protein chains in equilibrium with mesoscopic clusters, whereas the condensed phase adopts a bicontinuous, microemulsion-like morphology. The dilute phase behavior is quantitatively described by coarse-grained polymer models from soft-matter physics, demonstrating their predictive power for complex biological proteins. At elevated concentrations, the proteins self-assemble akin to block copolymers, microphase separating through the aggregation of hydrophobic domains along the protein contour. The resulting condensate remains fluid-like despite a 25-fold increase in concentration; its internal hydrodynamics slow by only a factor of 3 relative to dilute protein chains. These results provide a molecular-level framework for how disordered proteins achieve both the structural complexity and dynamic fluidity of biomolecular condensates.

Carrick, Brian R. [Massachusetts Inst. of Technolo↗
NASA NTRS2009

The Capillary Flow Experiments Aboard the International Space Station: Increments 9-15

This report provides a summary of the experimental, analytical, and numerical results of the Capillary Flow Experiment (CFE) performed aboard the International Space Station (ISS). The experiments were conducted in space beginning with Increment 9 through Increment 16, beginning August 2004 and ending December 2007. Both primary and extra science experiments were conducted during 19 operations performed by 7 astronauts including: M. Fincke, W. McArthur, J. Williams, S. Williams, M. Lopez-Alegria, C. Anderson, and P. Whitson. CFE consists of 6 approximately 1 to 2 kg handheld experiment units designed to investigate a selection of capillary phenomena of fundamental and applied importance, such as large length scale contact line dynamics (CFE-Contact Line), critical wetting in discontinuous structures (CFE-Vane Gap), and capillary flows and passive phase separations in complex containers (CFE-Interior Corner Flow). Highly quantitative video from the simply performed flight experiments provide data helpful in benchmarking numerical methods, confirming theoretical models, and guiding new model development. In an extensive executive summary, a brief history of the experiment is reviewed before introducing the science investigated. A selection of experimental results and comparisons with both analytic and numerical predictions is given. The subsequent chapters provide additional details of the experimental and analytical methods developed and employed. These include current presentations of the state of the data reduction which we anticipate will continue throughout the year and culminate in several more publications. An extensive appendix is used to provide support material such as an experiment history, dissemination items to date (CFE publication, etc.), detailed design drawings, and crew procedures. Despite the simple nature of the experiments and procedures, many of the experimental results may be practically employed to enhance the design of spacecraft engineering systems involving capillary interface dynamics.

Jenson, Ryan M.↗
NASA NTRS1976

Wind tunnel tests of the dynamic characteristics of the fluidic rudder

The fourth phase is given of a continuing program to develop the means to stabilize and control aircraft without moving parts or a separate source of power. Previous phases have demonstrated the feasibility of (1) generating adequate control forces on a standard airfoil, (2) controlling those forces with a fluidic amplifier and (3) cascading non-vented fluidic amplifiers operating on ram air supply pressure. The foremost objectives of the fourth phase covered under Part I of this report were to demonstrate a complete force-control system in a wind tunnel environment and to measure its static and dynamic control characteristics. Secondary objectives, covered under Part II, were to evaluate alternate configurations for lift control. The results demonstrate an overall response time of 150 msec, confirming this technology as a viable means for implementing low-cost reliable flight control systems.

Belsterling, C. A.↗
NASA NTRS2012

Methods, systems, and apparatus for storage, transfer and/or control of information via matter wave dynamics

Methods, systems and apparatus for generating atomic traps, and for storing, controlling and transferring information between first and second spatially separated phase-coherent objects, or using a single phase-coherent object. For plural objects, both phase-coherent objects have a macroscopic occupation of a particular quantum state by identical bosons or identical BCS-paired fermions. The information may be optical information, and the phase-coherent object(s) may be Bose-Einstein condensates, superfluids, or superconductors. The information is stored in the first phase-coherent object at a first storage time and recovered from the second phase-coherent object, or the same first phase-coherent object, at a second revival time. In one example, an integrated silicon wafer-based optical buffer includes an electrolytic atom source to provide the phase-coherent object(s), a nanoscale atomic trap for the phase-coherent object(s), and semiconductor-based optical sources to cool the phase-coherent object(s) and provide coupling fields for storage and transfer of optical information.

Vestergaard Hau, Lene↗
NASA NTRS1980

Chemical and isotopic fractionation by grain size separates

Fractionation of refractory elements according to grain size is argued to occur during their growth. Two major modes should exist: (1) during thermal condensation sequences whenever the condensing phase (e.g. Mg2SiO4) does not alloy with the precondensed phase (e.g. MgAl2O4); (2) during accretion of gaseous atoms in the nonequilibrated interstellar medium. Processes dynamically sorting grains according to size (e.g. sedimentation) therefore are potentially capable of achieving fractionations normally attributed to separations of dust and gas. This paper considers the first mode during supernova condensation; however, it also can occur in an equilibrium solar condensation sequence owing to an overlooked freedom in that simplified description.

Clayton, D. D.↗
DOE OSTI2025

Super-resolution imaging reveals resistance to mass transfer in functionalized stationary phases

Chemical separations are costly in terms of energy, time, and money. Separation methods are optimized with inefficient trial-and-error approaches that lack insight into the molecular dynamics that lead to the success or failure of a separation and, hence, ways to improve the process. We perform super-resolution imaging of fluorescent analytes in five different commercial liquid chromatography materials. Unexpectedly, we observe that chemical functionalization can block more than 50% of the material’s porous interior, rendering it inaccessible to small-molecule analytes. Only in situ imaging unveils the inaccessibility when compared to the industry-accepted ex situ characterization methods. Selectively removing some of the functionalization with solvent restores pore access without substantially altering the single-molecule kinetics that underlie the separation and agree with bulk chromatography measurements. Our molecular results determine that commercial “fully porous” stationary phases are over-functionalized and provide an alternative avenue to characterize and direct separation material design from the bottom-up.

Science & Technology - Other Topics↗
DOE OSTI2026

First-principles simulation of a shocked H-He mixture along the principal Hugoniot

Recent laser-shock experiments on an H–He mixture containing 11% helium (atomic fraction) have suggested the presence of an immiscibility region inside Jupiter. Reflectivity measurements were used as the primary diagnostic of H–He demixing, with discontinuities in the optical reflectivity proposed as a signature of phase separation under conditions relevant to Jupiter's interior. Here, we investigate shock-compressed H–He using ab initio molecular dynamics simulations with optical properties evaluated within the Kubo–Greenwood formalism. The equation of state and ionic configurations were obtained using the thermal Tr 2 SCANL meta-GGA exchange–correlation (XC) functional, while optical properties were computed using the recently developed RS-KDT0 range-separated thermal hybrid XC, which provides state-of-the-art accuracy for band-gap predictions in the warm dense matter regime. The calculated reflectivity shows overall good agreement with experimental measurements; however, no discontinuity is observed at elevated temperatures. Moreover, the reflectivity predictions for the mixed system are consistent with the experimental measurements in the temperature range where the mixture is inferred to be demixed. Furthermore, these results suggest that reflectivity alone may not provide a unique or sensitive diagnostic of H–He demixing at low helium concentrations under these conditions.

Density functional calculations↗