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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Investigation of the yielding transition in concentrated colloidal systems via rheo-XPCS

We probe the microstructural yielding dynamics of a concentrated colloidal system by performing creep/recovery tests with simultaneous collection of coherent scattering data via X-ray Photon Correlation Spectroscopy (XPCS). This combination of rheology and scattering allows for time-resolved observations of the microstructural dynamics as yielding occurs, which can be linked back to the applied rheological deformation to form structure–property relations. Under sufficiently small applied creep stresses, examination of the correlation in the flow direction reveals that the scattering response recorrelates with its predeformed state, indicating nearly complete microstructural recovery, and the dynamics of the system under these conditions slows considerably. Conversely, larger creep stresses increase the speed of the dynamics under both applied creep and recovery. The data show a strong connection between the microstructural dynamics and the acquisition of unrecoverable strain. By comparing this relationship to that predicted from homogeneous, affine shearing, we find that the yielding transition in concentrated colloidal systems is highly heterogeneous on the microstructural level.

42 ENGINEERING↗
DOE OSTI2024

Simulating Crystallization in a Colloidal System Using State Predictive Information Bottleneck Based Enhanced Sampling

Here, we investigate crystal nucleation in supersaturated colloid suspensions using enhanced molecular dynamics simulations augmented with machine learning techniques. The simulations reveal that crystallization in the model colloidal system studied here, with particles interacting through a repulsive screened Coulomb Yukawa potential, proceeds from vapor to dense liquid droplet to crystalline phases across multiple high barriers. Employing a one-dimensional reaction coordinate derived from the State Predictive Information Bottleneck framework, our simulations capture back-and-forth phase transitions across multiple barriers effectively in biased metadynamics simulations. We obtain relative free energy differences between different phases and also quantify the roles of different molecular level features in driving the phase changes.

Chemistry↗
NASA NTRS2002

The Kinetics of Crystallization of Colloids and Proteins: A Light Scattering Study

Hard-sphere colloidal systems serve as model systems for aggregation, nucleation, crystallization and gelation as well as interesting systems in their own right. Similar colloidal systems have important technological uses such as paints and pharmaceuticals. There is a strong current interest in using colloidal systems to form photonic crystals. A number of colloidal experiments have flown on the space shuttle and a suite of experiments is currently active on the ISS A major scientific thrust of NASA's microgravity research is the crystallization of proteins for structural determination. The crystallization of proteins is a complicated process that requires a great deal of trial and error experimentation. In spite of a great deal of work, "better" protein crystals cannot always be grown in microgravity and conditions for crystallization are not well understood. Crystallization of colloidal systems interacting as hard spheres and with an attractive potential induced by entropic forces have been studied in a series of static light scattering experiments. Additionally, aggregation of a protein as a function of pH has been studied using dynamic light scattering.

Jim McClymer↗
NASA NTRS2018

ST7 Disturbance Reduction System (DRS) Colloid Micronewton Thruster Performance and Control Algorithm Model Simulation Validation in Flight

Colloid Micronewton Thrusters (CMNT) were flight demonstrated for the first time on the ST7Disturbance Reduction System (DRS) payload on the European Space Agency (ESA) Laser Interferometer Space Antenna (LISA) Pathfinder spacecraft for attitude and drag-free spacecraft control. LISA Pathfinder was a technology demonstration mission for ESA’s LISA gravitational wave observatory, currently in Phase A with a launch date of 2034. The DRS included the Integrated Avionics Unit (IAU), eight Colloid Micronewton Thrusters (CMNT), Dynamic Control Software (DCS) and Flight Software (FSW). The CMNT technology met performance requirements operating at 5-30 µN of thrust with ≤0.1 µN resolution and ≤0.1 µN/Hz thrust noise to deliver the required nanometer-level precision spacecraft control measured by the gravitational reference sensor (GRS) in the ESA LISA Technology Package (LTP). The performance of seven of the CMNT in flight was consistent with ground test results. The colloid thruster performance model of thrust and thrust noise as a function of operational parameters (i.e. beam current, voltage, temperature, etc.) was validated in flight over a wide range of conditions. A model and simulation of the thruster control algorithm was developed and validated with flight data to predict thrust noise. This capability is important because it is considered to be a significant source of position noise on the spacecraft and, therefore, the acceleration noise on the test masses, which provide the gravity wave measurements. The CMNT thruster model data and validation with LISA Pathfinder/ST7-DRS flight experiments are discussed in this paper.

Hruby, Vlad↗
DOE OSTI2024

Colloidal phenomena reflect the interplay between interfacial solution structure, interparticle forces, and dynamical response

The physical and chemical properties of colloidal systems are central to both natural and synthetic processes that enable a wide range of energy and environmental applications. These properties are an emergent outcome of the structure that colloidal systems adopt in response to the interplay of electrical, van der Waals, hydration, and steric forces coupled to the inherent fluctuations of the system. Here, in this study, we review the nature of those forces and show how variations in their relative importance lead to distinct free energy landscapes and consequent dynamic behaviors, illustrated for colloidal dispersions, nanocrystal superlattices, and mesocrystlline solids formed through oriented attachment. We end by discussing the challenges to future progress arising from the need to seamless couple from molecular to particle to ensemble scales.

42 ENGINEERING↗
DOE OSTI2023

Inherent-state melting and the onset of glassy dynamics in two-dimensional supercooled liquids

Below the onset temperature T o , the equilibrium relaxation time of most glass-forming liquids exhibits glassy dynamics characterized by a super-Arrhenius temperature dependence. In this supercooled regime, the relaxation dynamics also proceeds through localized elastic excitations corresponding to hopping events between inherent states, i.e., potential-energy-minimizing configurations of the liquid. Despite its importance in distinguishing the supercooled regime from the high-temperature regime, the microscopic origin of T o is not yet known. Here, we construct a theory for the onset temperature in two dimensions and find that an inherent-state melting transition, described by the binding–unbinding transition of dipolar elastic excitations, delineates the supercooled regime from the high-temperature regime. The corresponding melting transition temperature is in good agreement with the onset temperature found in various two-dimensional (2D) atomistic models of glass formers and an experimental binary colloidal system confined to a water–air interface. Additionally, we find the predictions for the renormalized elastic moduli to agree with the experimentally observed values for the latter 2D colloidal system. We further discuss the predictions of our theory on the displacement and density correlations at supercooled conditions, which are consistent with observations of the Mermin–Wagner fluctuations in experiments and molecular simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Universal and interpretable classification of atomistic structural transitions via unsupervised graph learning

Materials processing often occurs under extreme dynamic conditions leading to a multitude of unique structural environments. These structural environments generally occur at high temperatures and/or high pressures, often under non-equilibrium conditions, which results in drastic changes in the material's structure over time. Computational techniques, such as molecular dynamics simulations, can probe the atomic regime under these extreme conditions. However, characterizing the resulting diverse atomistic structures as a material undergoes extreme changes in its structure has proved challenging due to the inherently non-linear relationship between structures as large-scale changes occur. Here, we introduce SODAS++, a universal graph neural network framework, that can accurately and intuitively quantify the atomistic structural evolution corresponding to the transition between any two arbitrary phases. We showcase SODAS++ for both solid–solid and solid–liquid transitions for systems of increasing geometric and chemical complexity, such as colloidal systems, elemental Al, rutile and amorphous TiO 2 , and the non-stoichiometric ternary alloy Ag 26 Au 5 Cu 19 . Finally, we show that SODAS++ can accurately quantify all transitions in a physically interpretable manner, showcasing the power of unsupervised graph neural network encodings for capturing the complex and non-linear pathway, a material's structure takes as it evolves.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microscopic origin of tunable assembly forces in chiral active environments

Across a variety of spatial scales, from nanoscale biological systems to micron-scale colloidal systems, equilibrium self-assembly is entirely dictated by—and therefore limited by—the thermodynamic properties of the constituent materials. In contrast, nonequilibrium materials, such as self-propelled active matter, expand the possibilities for driving the assemblies that are inaccessible in equilibrium conditions. Recently, a number of works have suggested that active matter drives or accelerates self-organization, but the emergent interactions that arise between solutes immersed in actively driven environments are complex and poorly understood. Here, we analyze and resolve two crucial questions concerning actively driven self-assembly: (i) how, mechanistically, do active environments drive self-assembly of passive solutes? (ii) Under which conditions is this assembly robust? We employ the framework of odd hydrodynamics to theoretically explain numerical and experimental observations that chiral active matter, i.e., particles driven with a directional torque, produces robust and long-ranged assembly forces. Overall, these developments constitute an important step towards a comprehensive theoretical framework for controlling self-assembly in nonequilibrium environments.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Physics of Colloids in Space-2 (PCS-2)

The Physics of Colloids-2 (PCS-2) experiment is aimed at investigating the basic physical properties of several types of colloidal suspensions. The three broad classes of colloidal systems of interest are binary colloids, colloid-polymer mixtures, and fractal gels. The objective is to understand their phase behavior as well as the kinetics of the phase transitions in the absence of gravity. The nucleation, growth, and morphology characteristics of the crystals and gels that form would be studied using confocal microscopy. These will be observed directly with excellent time resolution, and therefore extensive information about the different phases and their growth mechanisms will be gained. With the laser tweezers, it will be possible to measure the strength of these structures and to modify them in a controlled way, and the spectrophotometer will provide the possibility to probe their optical properties. We believe that this experiment will provide the basis for future 'colloid engineering' in which complicated structures with novel properties (e.g., photonic crystals) will be grown by controlled self-assembly.

Sankaran, Subramanian↗
DOE OSTI2024

Emergent biaxiality in chiral hybrid liquid crystals

Biaxial nematic liquid crystals are fascinating systems sometimes referred to as the Higgs boson of soft matter because of experimental observation challenges. Here we describe unexpected states of matter that feature biaxial orientational order of colloidal supercritical fluids and gases formed by sparse rodlike particles. Colloidal rods with perpendicular surface boundary conditions exhibit a strong biaxial symmetry breaking when doped into conventional chiral nematic fluids. Minimization of free energy prompts these particles to orient perpendicular to the local molecular director and the helical axis, thereby imparting biaxiality on the hybrid molecular-colloidal system. The ensuing phase diagram features colloidal gas and liquid and supercritical colloidal fluid states with long-range biaxial orientational symmetry, as supported by analytical and numerical modeling at all hierarchical levels of ordering. Unlike for nonchiral hybrid systems, dispersions in chiral nematic hosts display biaxial orientational order at vanishing colloid volume fractions, promising both technological and fundamental research utility.

Colloids↗
NASA NTRS2001

Physics of Colloids in Space (PCS) Flight Hardware Developed

investigation that will be located in an Expedite the Process of Experiments to Space Station (EXPRESS) Rack. The investigation will be conducted in the International Space Station U.S. laboratory, Destiny, over a period of approximately 10 months during the station assembly period from flight 6A through flight UF-2. This experiment will gather data on the basic physical properties of colloids by studying three different colloid systems with the objective of understanding how they grow and what structures they form. A colloidal suspension consists of fine particles (micrometer to submicrometer) suspended in a fluid for example, paints, milk, salad dressings, and aerosols. The long-term goal of this investigation is to learn how to steer the growth of colloidal suspensions to create new materials and new structures. This experiment is part of a two-stage investigation conceived by Professor David Weitz of Harvard University along with Professor Peter Pusey of the University of Edinburgh. The experiment hardware was developed by the NASA Glenn Research Center through contracts with Dynacs, Inc., and ZIN Technologies.

Koudelka, John M.↗
DOE OSTI2023

Unravelling crystal growth of nanoparticles

Crystal growth from nanoscale constituents is a ubiquitous phenomenon in biology, geology and materials science. Numerous studies have focused on understanding the onset of nucleation and on producing high-quality crystals by empirically sampling constituents with different attributes and varying the growth conditions. However, the kinetics of post-nucleation growth processes, an important determinant of crystal morphology and properties, have remained underexplored due to experimental challenges associated with real-space imaging at the nanoscale. Here we report the imaging of the crystal growth of nanoparticles of different shapes using liquid-phase transmission electron microscopy, resolving both lateral and perpendicular growth of crystal layers by tracking individual nanoparticles. We observe that these nanoscale systems exhibit layer-by-layer growth, typical of atomic crystallization, as well as rough growth prevalent in colloidal systems. Surprisingly, the lateral and perpendicular growth modes can be independently controlled, resulting in two mixed crystallization modes that, until now, have received only scant attention. Combining analytical considerations with molecular dynamics and kinetic Monte Carlo simulations, we develop a comprehensive framework for our observations, which are fundamentally determined by the size and shape of the building blocks. Furthermore, these insights unify the understanding of crystal growth across four orders of magnitude in particle size and suggest novel pathways to crystal engineering.

Imaging techniques↗
DOE OSTI2025

Visualizing energy transfer between redox-active colloids

Redox-active colloids (RACs) represent a novel class of energy carriers that exchange electrical energy upon contact. Understanding contact-mediated electron transfer dynamics in RACs offers insights into physical contact events in colloidal suspensions and enables quantification of electrical energy transport in nonconjugated polymers. Redox-based electron transport was directly observed in monolayers of micron-sized RACs containing ethyl-viologen side groups via fluorescence microscopy through an unexpected nonlinear electrofluorochromism that is quantitatively coupled to the redox state of the colloid. Via imaging studies, using this electrofluorochromism, the apparent charge transfer diffusion coefficient D CT of the RAC was easily determined. The visualization of energy transport within suspensions of redox-active colloids was also demonstrated. Our work elucidates fundamental mechanisms of energy transport in colloidal systems, informs the development of next-generation redox flow batteries, and may inspire new designs of smart active soft matter including conductive polymers for applications ranging from electrochemical sensors and organic electronics to colloidal robotics.

Qu, Alan Subing [Univ. of Illinois at Urbana-Champ↗
NASA NTRS1998

The Physics of Hard Spheres Experiment on MSL-1: Required Measurements and Instrument Performance

The Physics of HArd Spheres Experiment (PHaSE), one of NASA Lewis Research Center's first major light scattering experiments for microgravity research on complex fluids, flew on board the Space Shuttle's Microgravity Science Laboratory (MSL-1) in 1997. Using colloidal systems of various concentrations of micron-sized plastic spheres in a refractive index-matching fluid as test samples, illuminated by laser light during and after crystallization, investigations were conducted to measure the nucleation and growth rate of colloidal crystals as well as the structure, rheology, and dynamics of the equilibrium crystal. Together, these measurements support an enhanced understanding of the nature of the liquid-to-solid transition. Achievement of the science objectives required an accurate experimental determination of eight fundamental properties for the hard sphere colloidal samples. The instrument design met almost all of the original measurement requirements, but with compromise on the number of samples on which data were taken. The instrument performs 2-D Bragg and low angle scattering from 0.4 deg. to 60 deg., dynamic and single-channel static scattering from 10 deg. to 170 deg., rheology using fiber optics, and white light imaging of the sample. As a result, PHaSE provided a timely microgravity demonstration of critical light scattering measurement techniques and hardware concepts, while generating data already showing promise of interesting new scientific findings in the field of condensed matter physics.

Doherty, Michael P.↗
NASA NTRS2012

Combustion, Complex Fluids, and Fluid Physics Experiments on the ISS

From the very first days of human spaceflight, NASA has been conducting experiments in space to understand the effect of weightlessness on physical and chemically reacting systems. NASA Glenn Research Center (GRC) in Cleveland, Ohio has been at the forefront of this research looking at both fundamental studies in microgravity as well as experiments targeted at reducing the risks to long duration human missions to the moon, Mars, and beyond. In the current International Space Station (ISS) era, we now have an orbiting laboratory that provides the highly desired condition of long-duration microgravity. This allows continuous and interactive research similar to Earth-based laboratories. Because of these capabilities, the ISS is an indispensible laboratory for low gravity research. NASA GRC has been actively involved in developing and operating facilities and experiments on the ISS since the beginning of a permanent human presence on November 2, 2000. As the lead Center both Combustion, Fluid Physics, and Acceleration Measurement GRC has led the successful implementation of an Acceleration Measurement systems, the Combustion Integrated Rack (CIR), the Fluids Integrated Rack (FIR) as well as the continued use of other facilities on the ISS. These facilities have supported combustion experiments in fundamental droplet combustion fire detection fire extinguishment soot phenomena flame liftoff and stability and material flammability. The fluids experiments have studied capillary flow magneto-rheological fluids colloidal systems extensional rheology pool and nucleate boiling phenomena. In this paper, we provide an overview of the experiments conducted on the ISS over the past 12 years. We also provide a look to the future development. Experiments presented in combustion include areas such as droplet combustion, gaseous diffusion flames, solid fuels, premixed flame studies, fire safety, and super critical oxidation processes. In fluid physics, experiments are discussed in multiphase flows, capillary phenomena, and heat pipes. Finally in complex fluids, experiments in rheology and soft condensed materials will be presented.

Motil, Brian↗
NASA NTRS2002

Universal Features of the Fluid to Solid Transition for Attractive Colloidal Particles

Attractive colloidal particles can exhibit a fluid to solid phase transition if the magnitude of the attractive interaction is sufficiently large, if the volume fraction is sufficiently high, and if the applied stress is sufficiently small. The nature of this fluid to solid transition is similar for many different colloid systems, and for many different forms of interaction. The jamming phase transition captures the common features of these fluid to solid translations, by unifying the behavior as a function of the particle volume fraction, the energy of interparticle attractions, and the applied stress. This paper describes the applicability of the jamming state diagram, and highlights those regions where the fluid to solid transition is still poorly understood. It also presents new data for gelation of colloidal particles with an attractive depletion interaction, providing more insight into the origin of the fluid to solid transition.

Cipelletti, L.↗
DOE OSTI2024

Solvent-Dependent Dynamics of Cellulose Nanocrystals in Process-Relevant Flow Fields

Flow-assisted alignment of anisotropic nanoparticles is a promising route for the bottom-up assembly of advanced materials with tunable properties. While aligning processes could be optimized by controlling factors such as solvent viscosity, flow deformation, and the structure of the particles themselves, it is necessary to understand the relationship between these factors and their effect on the final orientation. In this study, we investigated the flow of surface-charged cellulose nanocrystals (CNCs) with the shape of a rigid rod dispersed in water and propylene glycol (PG) in an isotropic tactoid state. In situ scanning small-angle X-ray scattering (SAXS) and rheo-optical flow-stop experiments were used to quantify the dynamics, orientation, and structure of the assigned system at the nanometer scale. The effects of both shear and extensional flow fields were revealed in a single experiment by using a flow-focusing channel geometry, which was used as a model flow for nanomaterial assembly. Due to the higher solvent viscosity, CNCs in PG showed much slower Brownian dynamics than CNCs in water and thus could be aligned at lower deformation rates. Moreover, CNCs in PG also formed a characteristic tactoid structure but with less ordering than CNCs in water owing to weaker electrostatic interactions. The results indicate that CNCs in water stay assembled in the mesoscale structure at moderate deformation rates but are broken up at higher flow rates, enhancing rotary diffusion and leading to lower overall alignment. Albeit being a study of cellulose nanoparticles, the fundamental interplay between imposed flow fields, Brownian motion, and electrostatic interactions likely apply to many other anisotropic colloidal systems.

36 MATERIALS SCIENCE↗