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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Interfacial strength development in thermoplastic resins and fiber-reinforced thermoplastic composites

An experimental program to develop test methods to be used to characterize interfacial (autohesive) strength development in polysulfone thermoplastic resin and graphite-polysulfone prepreg during processing is reported. Two test methods were used to examine interfacial strength development in neat resin samples. These included an interfacial tension test and a compact tension (CT) fracture toughness test. The interfacial tensile test proved to be very difficult to perform with a considerable amount of data scatter. Thus, the interfacial test was discarded in favor of the fracture toughness test. Interfacial strength development was observed by measuring the refracture toughness of precracked compact tension specimens that were rehealed at a given temperature and contact time. The measured refracture toughness was correlated with temperature and contact time. Interfacial strength development in graphite-polysulfone unidirectional composites was measured using a double cantilever beam (DCB) interlaminar fracture toughness test. The critical strain energy release rate of refractured composite specimens was measured as a function of healing temperature and contact time.

Howes, Jeremy C.↗
DOE OSTI2025

Simulation insights into wetting properties of hydrogen-brine-clay for hydrogen geo-storage

Hydrogen geo-storage is attracting substantial interdisciplinary interest as a cost-effective and sustainable option for medium- and long-term storage. Hydrogen can be stored underground in diverse formations, including aquifers, salt caverns, and depleted oil and gas reservoirs. The wetting dynamics of the hydrogen-brine-rock system are critical for assessing both structural and residual storage capacities, and ensuring containment safety. Through molecular dynamics simulations, we explore how varying concentrations of cushion gases (CO 2 or CH 4 ) influence the wetting properties of hydrogen-brine-clay systems under geological conditions (15 MPa and 333 K). We employed models of talc and the hydroxylated basal face of kaolinite (kaoOH) as clay substrates. Our findings reveal that the effect of cushion gases on hydrogen-brine-clay wettability is strongly dependent on the clay-brine interactions. Notably, CO 2 and CH 4 reduce the water wettability of talc in hydrogen-brine-talc systems, while exerting no influence on the wettability of hydrogen-brine-kaoOH systems. Detailed analysis of free energy of cavity formation near clay surfaces, clay-brine interfacial tensions, and the Willard-Chandler surface for gas-brine interfaces elucidate the molecular mechanisms underlying wettability changes. Our simulations identify empirical correlations between wetting properties and the average free energy required to perturb a flat interface when clay-brine interactions are less dominant. Here, our thorough thermodynamic analysis of rock-fluid and fluid-fluid interactions, aligning with key experimental observations, underscores the utility of simulated interfacial properties in refining contact angle measurements and predicting experimentally relevant properties. These insights significantly enhance the assessment of gas geo-storage potential. Prospectively, the approaches and findings obtained from this study could form a basis for more advanced multiscale simulations that consider a range of geological and operational variables, potentially guiding the development and improvement of geo-storage systems in general, with a particular focus on hydrogen storage.

25 ENERGY STORAGE↗
DOE OSTI2018

Nanoscale Resolution of Electric-field Induced Motion in Ionic Diblock Copolymer Thin Films

Understanding the responses of ionic block copolymers to applied electric fields is crucial when targeting applications in areas such as energy storage, microelectronics, and transducers. This work shows that the identity of counterions in ionic diblock copolymers substantially affects their responses to electric fields, demonstrating the importance of ionic species for materials design. In situ neutron reflectometry measurements revealed that thin films containing imidazolium based cationic diblock copolymers, tetrafluoroborate counteranions led to film contraction under applied electric fields, while bromide counteranions drove expansion under similar field strengths. Coarse-grained molecular dynamics simulations were used to develop a fundamental understanding of these responses, uncovering a nonmonotonic trend in thickness change as a function of field strength. Furthermore, this behavior was attributed to elastic responses of microphase separated diblock copolymer chains resulting from variations in interfacial tension of polymer–polymer interfaces due to the redistribution of counteranions in the presence of electric fields.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Roles of kaolinite-oil-gas molecular interactions in hydrogen storage within depleted reservoirs

Hydrogen is a clean alternative to fossil fuels, emitting only water vapor during combustion. In a future hydrogen economy, large-scale storage will be an important component of the supply chain. Due to its low volumetric density, conventional surface storage methods are inadequate. Underground hydrogen storage (UHS) offers a viable solution, enabling the storage of millions of cubic meters. Among potential geological sites, including salt caverns, aquifers, and depleted gas reservoirs, depleted oil reservoirs show promise. Studying hydrogen interactions with residual oil and reservoir minerals is vital for understanding the properties of hydrogen and the reservoir post-injection. In this work, we employed molecular dynamics simulations to gain molecular-level insights into these interactions. We investigated hydrogen dissolution in oil, adsorption at kaolinite/oil interfaces, the role of CO 2 as a cushion gas, and the influence of kaolinite’s hydrophobicity on H 2 behavior. The main findings include: (1) hydrogen dissolves more in oil than in water, (2) the introduction of CO 2 suppresses hydrogen dissolution in oil and reduces the interfacial tension (IFT) between oil and gas, (3) CO 2 decreases H 2 partitioning near kaolinite surfaces due to its strong affinity for the hydrophilic gibbsite surface of kaolinite, and (4) CO 2 is more effective than H 2 in reducing IFT between kaolinite and the oil–gas mixture. These findings emphasize the effectiveness of CO 2 as a cushion gas and the important role of clay hydrophobicity in UHS, providing insights that are challenging to obtain experimentally.

08 HYDROGEN↗
DOE OSTI2021

Vapor–liquid equilibrium of water with the MB-pol many-body potential

Among the many existing molecular models of water, the MB-pol many-body potential has emerged as a remarkably accurate model, capable of reproducing thermodynamic, structural, and dynamic properties across water's solid, liquid, and vapor phases. In this work, we assessed the performance of MB-pol with respect to an important set of properties related to vapor-liquid coexistence and interfacial behavior. Through direct coexistence classical molecular dynamics simulations at temperatures of 400 K < T < 600 K, we calculated properties such as equilibrium coexistence densities, vapor-liquid interfacial tension, vapor pressure, and enthalpy of vaporization and compared the MB-pol results to experimental data. We also compared rigid vs fully flexible variants of the MB-pol model and evaluated system size effects for the properties studied. We found that the MB-pol model predictions are in good agreement with experimental data, even for temperatures approaching the vapor-liquid critical point; this agreement was largely insensitive to system sizes or the rigid vs flexible treatment of the intramolecular degrees of freedom. Furthermore, these results attest to the chemical accuracy of MB-pol and its high degree of transferability, thus enabling MB-pol's application across a large swath of water's phase diagram.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

The Interfacial Assembly of Polyoxometalate Nanoparticle Surfactants

Polyoxometalates (POMs) using {Mo 72 V 30 } as an example, dissolved in water, can interact with amine-terminated polydimethylsiloxane (PDMS-NH 2 ) dissolved in toluene at the water/toluene interface to form POM-surfactants that significantly lower the interfacial tension and can be used to stabilize liquids via interfacial elasticity. The jamming of the POM-surfactants at the water/oil interface with consequent wrinkling occurs with a decrease in the interfacial area. Furthermore, the packing density of the POM-surfactants at the interface can be tuned by varying the strength of screening with the addition of cations with differing hydrated radii.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1993

Study Of Bubble-Count Measurement Of Surface Tension

Report presents study of bubble-count method of measurement of surface or interfacial tension of liquids. In method, gas or liquid pumped at known rate along capillary tube. One end of tube open and immersed in liquid that wets tube. Pumped gas or liquid forms bubbles, detaching themselves from immersed open end of tube, and one measures average period, Pi, for formation and detachment of bubbles.

Nishioka, Gary M.↗
NASA NTRS2004

Thermocapillary migration of a drop: an exact solution with Newtonian interfacial rheology and stretching/shrinkage of interfacial area elements for small Marangoni numbers

In this paper we analyze the effects of the following phenomena associated with the thermocapillary migration of a drop. The first is the influence of Newtonian surface rheology of the interface and the second is that of the energy changes associated with stretching and shrinkage of the interfacial area elements, when the drop is in motion. The former occurs because of dissipative processes in the interfacial region, such as when surfactant molecules are adsorbed at the interface in sufficient concentration. The interface is typically modeled in this instance by ascribing to it a surface viscosity. This is a different effect from that of interfacial tension gradients arising from surfactant concentration gradients. The stretching and shrinkage of interfacial area elements leads to changes in the internal energy of these elements that affects the transport of energy in the fluids adjoining the interface. When an element on the interface is stretched, its internal energy increases because of the increase in its area. This energy is supplied by the neighboring fluids that are cooled as a consequence. Conversely, when an element on the interface shrinks, the adjoining fluids are warmed. In the case of a moving drop, elements of interfacial area are stretched in the forward half of the drop, and are shrunk in the rear half. Consequently, the temperature variation on the surface of the drop and its migration speed are modified. The analysis of the motion of a drop including these effects was first performed by LeVan in 1981, in the limit when convective transport of momentum and energy are negligible. We extend the analysis of LeVan to include the convective transport of momentum by demonstrating that an exact solution of the momentum equation is obtained for an arbitrary value of the Reynolds number. This solution is then used to calculate the slightly deformed shape of the drop from a sphere.

Rheology/methods↗
DOE OSTI2014

Effect of dispersive long-range corrections to the pressure tensor: The vapour-liquid interfacial properties of the Lennard-Jones system revisited

We propose an extension of the improved version of the inhomogeneous long-range corrections of Janeček [J. Phys. Chem. B 110, 6264–6269 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] to account for the intermolecular potential energy of spherical, rigid, and flexible molecular systems, to deal with the contributions to the microscopic components of the pressure tensor due to the dispersive long-range corrections. We have performed Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of spherical Lennard-Jones molecules with different cutoff distances, r{sub c} = 2.5, 3, 4, and 5σ. In addition, we have also considered cutoff distances r{sub c} = 2.5 and 3σ in combination with the inhomogeneous long-range corrections proposed in this work. The normal and tangential microscopic components of the pressure tensor are obtained using the mechanical or virial route in combination with the recipe of Irving and Kirkwood, while the macroscopic components are calculated using the Volume Perturbation thermodynamic route proposed by de Miguel and Jackson [J. Chem. Phys. 125, 164109 (2006)]. The vapour-liquid interfacial tension is evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the Test-Area methodology. In addition to the pressure tensor and the surface tension, we also obtain density profiles, coexistence densities, vapour pressure, critical temperature and density, and interfacial thickness as functions of temperature, paying particular attention to the effect of the cutoff distance and the long-range corrections on these properties. According to our results, the main effect of increasing the cutoff distance (at fixed temperature) is to sharpen the vapour-liquid interface, to decrease the vapour pressure, and to increase the width of the biphasic coexistence region. As a result, the interfacial thickness decreases, the width of the tangential microscopic component of the pressure tensor profile increases, and the surface tension increases as the cutoff distance is larger. We have also checked the effect of the impulsive contribution to the pressure due to the discontinuity of the intermolecular interaction potential when it is cut. If this contribution is not accounted for in the calculation of the microscopic components of the pressure tensor, incorrect values of both components as well as a wrong structure along the vapour-liquid interface are obtained.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Amphiphilic Co-Solvents Modulate the Structure of Membrane Domains

Biofuels are an increasing part of the sustainable energy picture. This makes it a societal and economic imperative to optimize biofuel production. Mitigating the toxic effects of amphiphilic co-solvents is one way to improve the efficiency of biofuel production. Amphiphiles partition into cellular membranes, leading to membrane thinning, destabilization, loss of membrane potential, and, ultimately, cell death. However, this picture of solvent toxicity misses the disruptive impact of co-solvents on lateral membrane organization, which is increasingly recognized as critical for membrane protein sorting and oligomerization. The alteration or disruption of membrane domains has deleterious effects on cellular processes. Here, in this work, we pursue the hypothesis that membrane lateral organization is disrupted by the presence of co-solvents at concentrations lower than those which lead to full membrane destabilization. The disruption occurs due to an increasing interfacial tension between the co-existing phases, resulting in conformational changes to minimize the interfacial length-to-area ratio. This represents an unrecognized mode of solvent-induced stress and a new target for interventions to improve fermentation yields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Surface Tension and Fingering of Miscible Interfaces

Experiments on miscible, buoyantly unstable reaction-diffusion fronts and non-reacting displacement fronts in Hele-Shaw cells show a fingering-type instability whose wavelengths (lambda*) are consistent with an interfacial tension (sigma) at the front caused by the change in chemical composition, even though the solutions are miscible in all proportions. In conjunction with the Saffman-Taylor model, the relation sigma = K/tau, where tau is the interface thickness and K approximately equal 4 +/- 2 x 10(exp -6) dyne, enables prediction of our measured values of lambda* as well as results from prior experiments on miscible interfaces. These results indicate that even for miscible fluids, surface tension is generally a more significant factor than diffusion in interfacial stability and flow characteristics.

Abib, Mohammed↗
DOE OSTI2019

Mechanical Properties of Solidifying Assemblies of Nanoparticle Surfactants at the Oil–Water Interface

The effect of polymer surfactant structure and concentration on the self-assembly, mechanical properties, and solidification of nanoparticle surfactants (NPSs) at the oil-water interface was studied. The surface tension of the oil-water interface was found to depend strongly on the choice of the polymer surfactant used to assemble the NPSs, with polymer surfactants bearing multiple polar groups being the most effective at reducing interfacial tension and driving the NPS assembly. By contrast, only small variations in the shear modulus of the system were observed, suggesting that it is determined largely by particle density. In the presence of polymer surfactants bearing multiple functional groups, NPS assemblies on pendant drop surfaces were observed to spontaneously solidify above a critical polymer surfactant concentration. Interfacial solidification accelerated rapidly as polymer surfactant concentration was increased. On long timescales after solidification, pendant drop interfaces were observed to spontaneously wrinkle at sufficiently low surface tensions (approximately 5 mN m -1 ). Interfacial shear rheology of the NPS assemblies was elastic-dominated, with the shear modulus ranging from 0.1 to 1 N m -1 , comparable to values obtained for nanoparticle monolayers elsewhere. Finally, our work paves the way for the development of designer, multicomponent oil-water interfaces with well-defined mechanical, structural, and functional properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structured liquid-based reconfigurable all-liquid optical fibers

Quartz optical fibers are brittle, difficult to repair, and lack reconfigurability, limiting their adaptability in underwater communication. To overcome these impediments, here we show reconfigurable all-liquid optical fibers (RAOFs) produced by structured liquid, tuned by the interfacial assembly and jamming of nanoparticle surfactants at the water-oil interface (interfacial tension <10 mN m -1 , refractive index contrast of 0.083). These RAOFs combine the structural stability of the interfacial assemblies with the inherent flexibility of liquids. They support real-time communication on an Ethernet platform (up to 1 Gbps), providing a practical alternative to conventional optical fibers for optical interconnects. Their liquid nature enables broken fibers to be repaired rapidly by a coalescence process. Their softness affords on-demand reconfigurability that enables in-situ fabrication of reconfigurable optical fibers and dynamic manipulation of signal transmission. RAOFs provide a versatile, self-healing, and resilient solution for optical communication systems in dynamic environments.

Zhao, Sai [City University of Hong Kong, Kowloon (↗
DOE OSTI2020

Direct Observation of Liquid Crystal Droplet Configurational Transitions using Optical Tweezers

Liquid crystals (LCs) are easily influenced by external interactions, particularly at interfaces. When rod-like LC molecules are confined to spherical droplets, they experience a competition between interfacial tension and elastic deformations. The configuration of LCs inside a droplet can be controlled using surfactants that influence the interfacial orientation of the LC molecules in the oil-phase of an oil in water emulsion. Here, we used the surfactant sodium dodecyl sulfate (SDS) to manipulate the orientation of 5CB molecules in a polydisperse emulsion and examined the configuration of the droplets as a function of SDS concentration. We triggered pronounced morphological transitions by altering the SDS concentration while observing an individual LC droplet held in place using an optical tweezer. We compared the experimental configuration changes to predictions from simulations. Finally, we observed a hysteresis in the SDS concentration that induced the morphological transition from radial to bipolar and back as well as a fluctuations in the configuration during the transition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Thermocapillary Convection in Bubbles and Drops

When bubbles or drops are present in an immiscible liquid in reduced gravity and the temperature of the liquid is non-uniform, a thermocapillary stress is generated at the interface due to the variation of interfacial tension with temperature. The resulting flow propels the drop freely suspended in the liquid towards warmer regions, so as to minimize the interfacial energy. In this presentation, we will focus on the effect of convective transport of momentum and energy, that are characterized by the Reynolds number and the Marangoni number, respectively. The results of asymptotic analyses for the speed of the drop for low and large values of these parameters will be discussed. These predictions as well as those from numerical simulations will be compared with reduced gravity experimental results obtained from experiments performed aboard the space shuttle.

Balassubramaniam↗
NASA NTRS1985

Surface-Tension Driven Convection

The present experiments are directed to examine surface-tension gradients. The surface-tension induced convection under reduced gravity it's comparison with normal gravity convection with all other identical conditions are studied. The intensities of such flows and their penetration depth below the free surface are also determined. In this way, the dominant role of a free surface in a reduced-gravity environment is indicated. The interface between two fluid phases can influence the motion of fluids when either the interface has finite curvature or when the interfacial tension varies from point to point. In both cases, forces appear in the interfacial region that can affect or generate fluid motions.

Ostrach, S.↗
DOE OSTI2017

A detailed study of CO 2 -brine capillary trapping mechanisms as applied to geologic carbon storage. Final Report

The proposed research focuses on improved fundamental understanding of the efficiency of physical trapping mechanisms, and as such will provide the basis for subsequent upscaling efforts. The overarching hypothesis of the proposed research is that capillary pressure plays a significant role in capillary trapping of CO 2 , especially during the water imbibition stage of the sequestration process. We posit that the relevant physics of the sequestration process is more complex than is currently captured in relative permeability models, which are often based on so-called trapping models to represent relative permeability hysteresis. Our 4 main questions, guiding the 4 main tasks of the proposed research, are as follows: (1) What is the morphology of capillary trapped CO 2 at the pore scale as a function of temperature, pressure, brine concentration, interfacial tension, and pore-space morphology under injection and subsequent imbibition? (2) Is it possible to describe the capillary trapping process using formation-dependent, but otherwise unique continuum-scale functions in permeability-capillary pressure, interfacial area and saturation space, rather than hysteretic functions in permeability-saturation or capillary pressure-saturation space? (3) How do continuum-scale relationships between kr-Pc-S-Anw developed based on pore-scale observations compare with traditional models incorporating relative permeability hysteresis (such as Land’s and other models,) and with observations at the core (5-10cm) scale? (4) How can trapped CO 2 volume be optimized via engineered injection and sweep strategies, and as a function of formation type (incl. heterogeneity)?

54 ENVIRONMENTAL SCIENCES↗