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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Discovery of two-dimensional binary nanoparticle superlattices using global Monte Carlo optimization

Binary nanoparticle (NP) superlattices exhibit distinct collective plasmonic, magnetic, optical, and electronic properties. Here, we computationally demonstrate how fluid-fluid interfaces could be used to self-assemble binary systems of NPs into 2D superlattices when the NP species exhibit different miscibility with the fluids forming the interface. We develop a basin-hopping Monte Carlo (BHMC) algorithm tailored for interface-trapped structures to rapidly determine the ground-state configuration of NPs, allowing us to explore the repertoire of binary NP architectures formed at the interface. By varying the NP size ratio, interparticle interaction strength, and difference in NP miscibility with the two fluids, we demonstrate the assembly of an array of exquisite 2D periodic architectures, including AB-, AB 2 -, and AB 3 -type monolayer superlattices as well as AB-, AB 2 -, A 3 B 5 -, and A 4 B 6 -type bilayer superlattices. Our results suggest that the interfacial assembly approach could be a versatile platform for fabricating 2D colloidal superlattices with tunable structure and properties.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Extension of the BMCSL equation of state for hard spheres to the metastable disordered region: Application to the SAFT approach

A simple modification of the Boublík-Mansoori-Carnahan-Starling-Leland equation of state is proposed for an application to the metastable disordered region. The new model has a positive pole at the jamming limit and can accurately describe the molecular simulation data of pure hard in the stable fluid region and along the metastable branch. The new model has also been applied to binary mixtures hard spheres, and an excellent description of the fluid and metastable branches can be obtained by adjusting the jamming packing fraction. The new model for hard sphere mixtures can be used as the repulsive term of equations of state for real fluids. In this case, the modified equations of state give very similar predictions of thermodynamic properties as the original models, and one can remove the multiple liquid density roots observed for some versions of the Statistical Associating Fluid Theory (SAFT) at low temperature without any modification of the dispersion term.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Influence of the Soret effect on binary-species boundary layers at high pressure

Direct numerical simulations of binary-species temporal boundary layers at high pressure are performed. The main objective is to investigate the influence of the Soret effect on flow physics of binary-species boundary layers where the fluid has a uniform composition. The working fluid is a mixture of 25 % methane and 75 % nitrogen in mass fraction. Although the fluid composition is uniform at the initial condition, the mass fraction of methane increases near the wall when the wall temperature is hotter than the free stream temperature, whereas it decreases when the wall temperature is colder. The non-uniform mass fraction indicates that the uphill diffusion occurs near the wall. Investigation of fluctuations of the mass fraction reveals that the mass fraction fluctuates in the whole boundary layer, indicating that the uphill diffusion occurs even far from the wall. Examination of the species-mass diffusion balance for mean flow fields clarified that the Soret effect flux becomes large near the wall, and the large flux causes the non-uniform profile of the mass fraction near the wall.

Binary Diffusion Coefficient↗
DOE OSTI2011

TWIN BINARIES: STUDIES OF STABILITY, MASS TRANSFER, AND COALESCENCE

Motivated by suggestions that binaries with almost equal-mass components ('twins') play an important role in the formation of double neutron stars and may be rather abundant among binaries, we study the stability of synchronized close and contact binaries with identical components in circular orbits. In particular, we investigate the dependency of the innermost stable circular orbit on the core mass, and we study the coalescence of the binary that occurs at smaller separations. For twin binaries composed of convective main-sequence stars, subgiants, or giants with low-mass cores (M{sub c} {approx}< 0.15M, where M is the mass of a component), a secular instability is reached during the contact phase, accompanied by a dynamical mass transfer instability at the same or at a slightly smaller orbital separation. Binaries that come inside this instability limit transfer mass gradually from one component to the other and then coalesce quickly as mass is lost through the outer Lagrangian points. For twin giant binaries with moderate to massive cores (M{sub c} {approx}> 0.15M), we find that stable contact configurations exist at all separations down to the Roche limit, when mass shedding through the outer Lagrangian points triggers a coalescence of the envelopes and leaves the cores orbiting in a central tight binary. In addition to the formation of binary neutron stars, we also discuss the implications of our results for the production of planetary nebulae with double degenerate central binaries.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Modeling and Analysis of a Novel Offshore Binary Species Free-Floating Longline Macroalgal Farming System

The investigation of innovative macroalgal cultivation is important and needed to optimize farming operations, increase biomass production, reduce the impact on the ecosystem, and lower system and operational costs. However, most macroalgal farming systems (MFSs) are stationary, which need to occupy a substantial coastal area, require extensive investment in farm infrastructure, and cost high fertilizer and anchoring expenses. This study aims to model, analyze, and support a novel binary species free-floating longline macroalgal cultivation concept. The expected outcomes could provide a basis for the design and application of the novel MFS to improve biomass production, decrease costs, and reduce the impact on the local ecosystem. In this paper, Saccharina latissima and Nereocystis luetkeana were modeled and validated, and coupled with longline to simulate the binary species MFS free float in various growth periods and associated locations along the US west coast. Further, the numerical predictions indicated the possibility of failure on the longline and breakage at the kelp holdfasts is low. However, the large forces due to an instantaneous change in dynamic loads caused by loss of hydrostatic buoyancy when the longline stretches out of the water would damage the kelps. Buoy-longline contact interactions could damage the buoy, resulting in the loss of the system by sinking. Furthermore, the kelp-longline and kelp-kelp entanglements could potentially cause kelp damage.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

Effect of Ambient Design Temperature on Air-Cooled Binary Plant Output

Air-cooled binary plants are designed to provide a specified level of power production at a particular air temperature. Nominally this air temperature is the annual mean or average air temperature for the plant location. This study investigates the effect that changing the design air temperature has on power generation for an air-cooled binary plant producing power from a resource with a declining production fluid temperature and fluctuating ambient temperatures. This analysis was performed for plants operating both with and without a geothermal fluid outlet temperature limit. Aspen Plus process simulation software was used to develop optimal air-cooled binary plant designs for specific ambient temperatures as well as to rate the performance of the plant designs at off-design operating conditions. Results include calculation of annual and plant lifetime power generation as well as evaluation of plant operating characteristics, such as improved power generation capabilities during summer months when electric power prices are at peak levels.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Destabilization of binary mixing layer in supercritical conditions

Compressible mixing layer instabilities are of importance to a wide range of environmental and industrial applications. Past studies have focused on either ideal-gas or real-fluid thermodynamic regimes of single-species mixing layers. However, mixing layers of binary mixtures at supercritical conditions, commonly encountered in fuel injection systems, introduce additional complexities due to the added compositional degree-of-freedom. Moreover, the effect of strong variations in thermodynamic response functions across the Widom line on the binary mixing layer stability remains poorly understood. Thus, the objective of this study is to examine the coupling between the hydrodynamic instability and the real-fluid thermodynamics across the Widom line and its effects on the overall binary mixing layer dynamics. To this end, we develop a linear stability analysis of the full binary-species compressible transport equations coupled with the PC-SAFT equation of state. Analysis shows the existence of a novel instability mechanism that arises from juxtapositioning of the Widom-line transition and the hydrodynamic inflection point. This novel thermodynamically induced instability mechanism has the net effect of destabilizing the binary mixing layer at lowering supercritical conditions towards the critical pressure point. This is in contrast to previous stability analyses of supercritical single-species mixing layers, where increasing pressure destabilizes the flow due to its effect on reducing the density stratification. The discovered thermodynamically induced instability mechanism of binary mixing flows highlights the need for an extension of classical instability criteria to incorporate the effect of strong variations in the thermodynamic response functions across the Widom line on mixing layer instability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Impact of moment-based, energy integrated neutrino transport on microphysics and ejecta in binary neutron star mergers

We present an extensive study of the effects of neutrino transport in three-dimensional general relativistic radiation hydrodynamics (GRHD) simulations of binary neutron star (BNS) mergers using our moment-based, energy-integrated neutrino radiation transport (M1) scheme. Here, we consider a total of eight BNS configurations, while varying equation of state models, mass ratios, and grid resolutions, for a total of 16 simulations. We find that M1 neutrino transport is crucial in modeling the local absorption of neutrinos and the deposition of lepton number throughout the medium. We provide an in-depth look at the effects of neutrinos on the fluid dynamics and luminosity during the late inspiral and postmerger phases, the properties of ejecta and outflow, and the postmerger nucleosynthesis. The simulations presented in this work comprise an extensive study of the combined effect of the equation of state and M1 neutrino transport in GRHD simulations of BNS mergers, and establish that the solution provided by our M1 scheme is robust across system properties.

150 ≤ A ≤ 18959 ≤ A ≤ 8990 ≤ A ≤ 149↗
DOE OSTI2015

Geothermal Risk Reduction via Geothermal/Solar Hybrid Power Plants. Final Report

There are numerous technical merits associated with a renewable geothermal-solar hybrid plant concept. The performance of air-cooled binary plants is lowest when ambient temperatures are high due to the decrease in air-cooled binary plant performance that occurs when the working fluid condensing temperature, and consequently the turbine exhaust pressure, increases. Electrical power demand is generally at peak levels during periods of elevated ambient temperature and it is therefore especially important to utilities to be able to provide electrical power during these periods. The time periods in which air-cooled binary geothermal power plant performance is lowest generally correspond to periods of high solar insolation. Use of solar heat to increase air-cooled geothermal power plant performance during these periods can improve the correlation between power plant output and utility load curves. While solar energy is a renewable energy source with long term performance that can be accurately characterized, on shorter time scales of hours or days it can be highly intermittent. Concentrating solar power (CSP), aka solar-thermal, plants often incorporate thermal energy storage to ensure continued operation during cloud events or after sunset. Hybridization with a geothermal power plant can eliminate the need for thermal storage due to the constant availability of geothermal heat. In addition to the elimination of the requirement for solar thermal storage, the ability of a geothermal/solar-thermal hybrid plant to share a common power block can reduce capital costs relative to separate, stand-alone geothermal and solar-thermal power plant installations. The common occurrence of long-term geothermal resource productivity decline provides additional motivation to consider the use of hybrid power plants in geothermal power production. Geothermal resource productivity decline is a source of significant risk in geothermal power generation. Many, if not all, geothermal resources are subject to decreasing productivity manifested in the form of decreasing production fluid temperature, flow rate, or both during the life span of the associated power generation project. The impacts of geothermal production fluid temperature decline on power plant performance can be significant; a reduction in heat input to a power plant not only decreases the thermal energy available for conversion to electrical power, but also adversely impacts the power plant efficiency. The impact of resource productivity decline on power generation project economics can be equally detrimental. The reduction in power generation is directly correlated to a reduction in revenues from power sales. Further, projects with Power Purchase Agreement (PPA) contracts in place may be subject to significant economic penalties if power generation falls below a specified default level. While the magnitude of PPA penalties varies on a case-by-case basis, it is not unrealistic for these penalties to be on the order of the value of the deficit power sales such that the utility may purchase the power elsewhere. This report evaluates the use of geothermal/solar-thermal hybrid plant technology for mitigation of resource productivity decline, which has not been a primary topic of investigation in previous analyses in the open literature.

14 SOLAR ENERGY↗
DOE OSTI2018

Stochastic Simulation of Complex Fluid Flows (Progress Report for period 07/01/2016 - 06/30/2018)

At a microscopic scale, fluids are composed of molecules whose positions and velocities are random. This gives rise to thermal fluctuations that span the whole range of scales from the microscopic through the mesoscopic, and even the macroscopic. The inclusion of thermal fluctuations is crucial in multi-scale models, which are an important theme in the research program of the DOE Office of Science, and in particular the ASCR Applied Mathematics program's priority focus area on modeling of complex systems involving processes that span vastly different time and/or length scales. In this five-year Early Career project, the PI Aleksandar Donev and collaborators developed computational algorithms for modeling complex fluid mixtures at small scales using a formulation based on fluctuating hydrodynamics. Novel computational methods were developed to model complex fluids with increasing physical complexity, starting from binary miscible and immiscible mixtures, going through multispecies non-reactive and reactive mixtures, and culminating with reactive electrolytes mixtures of neutral molecules and ions. In close collaboration with the group of John Bell at Lawrence Berkeley National Laboratory, the methods were implemented in a scalable computational framework suitable for modern parallel supercomputers, and made publicly available on github. A number of physical examples in which giant nonequilibrium fluctuations are improtant were studied, with a special focus on instabilities at a liquid-liquid interface driven by gravity, diffusion, reactions, and/or electric fields. The methods and codes developed in this project are expected to enable other novel applications in the DOE Basic Energy Sciences program, and engineering sciences more broadly.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Recoverable Resource Estimate of Identified Onshore Geopressured Geothermal Energy in Texas and Louisiana (Presentation)

Geopressured geothermal reservoirs are characterized by high temperatures and high pressures with correspondingly large quantities of dissolved methane. Due to these characteristics, the reservoirs provide two sources of energy: chemical energy from the recovered methane, and thermal energy from the recovered fluid at temperatures high enough to operate a binary power plant for electricityproduction. Formations with the greatest potential for recoverable energy are located in the gulf coastal region of Texas and Louisiana where significantly overpressured and hot formations are abundant. This study estimates the total recoverable onshore geopressured geothermal resource for identified sites in Texas and Louisiana. In this study a geopressured geothermal resource is defined as abrine reservoir with fluid temperature greater than 212 degrees F and a pressure gradient greater than 0.7 psi/ft.

15 GEOTHERMAL ENERGY↗
DOE OSTI2017

Viscous fingering with partially miscible fluids

Viscous fingering—the fluid-mechanical instability that takes place when a low-viscosity fluid displaces a high-viscosity fluid—has traditionally been studied under either fully miscible or fully immiscible fluid systems. In this work, we study the impact of partial miscibility (a common occurrence in practice) on the fingering dynamics. Through a careful design of the thermodynamic free energy of a binary mixture, we develop a phase-field model of fluid-fluid displacements in a Hele-Shaw cell for the general case in which the two fluids have limited (but nonzero) solubility into one another.We show, bymeans of high-resolution numerical simulations, that partial miscibility exerts a powerful control on the degree of fingering: fluid dissolution hinders fingering while fluid exsolution enhances fingering. Additionally, we show that, as a result of the interplay between compositional exchange and the hydrodynamic pattern-forming process, stronger fingering promotes the system to approach thermodynamic equilibrium more quickly.

42 ENGINEERING↗
DOE OSTI2021

Direct numerical simulation of single-species and binary-species boundary layers at high pressure

Direct numerical simulations of single-species and binary-species temporal boundary layers at high pressure are performed. The main objective is to investigate flow physics in a binary-species boundary layer at high pressure, with special attention to mass diffusion. The working fluids are nitrogen in the single-species cases, and a mixture of nitrogen and methane in the binary-species cases. An investigation of mean profiles shows that velocity and temperature profiles have steep gradients near the wall, whereas the mass fraction profiles do not have a steep gradient. This result indicates that the similarity law between velocity, temperature and mass fraction does not hold true in the binary-species boundary layer. The comparison of turbulent fluctuations shows that the qualitative characteristics of velocity and temperature are similar to each other. In contrast, profiles of mass fraction fluctuations are largely different from those of velocity and temperature. This result indicates that mass diffusion is not similar to momentum and thermal diffusions in binary-species boundary layers.

Toki, Takahiko↗
DOE OSTI2021

Dynamic Mixing Behaviors of Ionically Tethered Polymer Canopy of Nanoscale Hybrid Materials in Fluids of Varying Physical and Chemical Properties

An emerging area of sustainable energy and environmental research is focused on the development of novel electrolytes that can increase the solubility of target species and improve subsequent reaction performance. Electrolytes with chemical and structural tunability have allowed for significant advancements in flow batteries and CO 2 conversion integrated with CO 2 capture. Liquid-like nanoparticle organic hybrid materials (NOHMs) are nanoscale fluids that are composed of inorganic nanocores and an ionically tethered polymeric canopy. NOHMs have been shown to exhibit enhanced conductivity making them promising for electrolyte applications, though they are often challenged by high viscosity in the neat state. In this study, a series of binary mixtures of NOHM-I-HPE with five different secondary fluids, water, chloroform, toluene, acetonitrile, and ethyl acetate, were prepared to reduce the fluid viscosity and investigate the effects of secondary fluid properties (e.g., hydrogen bonding ability, polarity, and molar volume) on their transport behaviors, including viscosity and diffusivity. We report our results revealed that the molecular ratio of secondary fluid to the ether groups of Jeffamine M2070 ($λ_{\text{SF}}$) was able to describe the effect that secondary fluid has on transport properties. Our findings also suggest that in solution, the Jeffamine M2070 molecules exist in different nanoscale environments, where some are more strongly associated with the nanoparticle surface than others, and the conformation of the polymer canopy was dependent on the secondary fluid. This understanding of the polymer conformation in NOHMs can allow for the better design of an electrolyte capable of capturing and releasing small gaseous or ionic species.

25 ENERGY STORAGE↗
DOE OSTI2017

A method to generate small-scale, high-resolution sedimentary bedform architecture models representing realistic geologic facies

Small-scale (mm to m) sedimentary structures (e.g. ripple lamination, cross-bedding) have received a great deal of attention in sedimentary geology. The influence of depositional heterogeneity on subsurface fluid flow is now widely recognized, but incorporating these features in physically-rational bedform models at various scales remains problematic. The current investigation expands the capability of an existing set of open-source codes, allowing generation of high-resolution 3D bedform architecture models. The implemented modifications enable the generation of 3D digital models consisting of laminae and matrix (binary field) with characteristic depositional architecture. The binary model is then populated with petrophysical properties using a textural approach for additional analysis such as statistical characterization, property upscaling, and single and multiphase fluid flow simulation. One example binary model with corresponding threshold capillary pressure field and the scripts used to generate them are provided, but the approach can be used to generate dozens of previously documented common facies models and a variety of property assignments. An application using the example model is presented simulating buoyant fluid (CO 2 ) migration and resulting saturation distribution.

58 GEOSCIENCES↗
DOE OSTI2020

Nonrandom two‐liquid activity coefficient model with association theory

Abstract Considered one of the most versatile and widely used classical thermodynamic models to correlate phase equilibria behavior of nonideal systems, the nonrandom two‐liquid (NRTL) theory does not explicitly account for specific chemical associations such as hydrogen bonding. This deficiency has been recognized as the cause for unsatisfactory representation of association systems like methanol–alkanes binaries. This work presents a practical approach to integrate Wertheim's perturbation theory for association contribution with the classical NRTL model. Specifically, the association contribution is calculated from pre‐determined molecule‐specific association strengths while the physical interaction contribution is captured with NRTL binary interaction parameters. The resulting association NRTL model correlates fluid phase equilibria of association systems with few adjustable parameters and offers improved predictive capability for higher order systems.

Hao, Yifan↗
DOE OSTI2018

Enhanced gel formation in binary mixtures of nanocolloids with short-range attraction

Colloidal suspensions transform between fluid and disordered solid states as parameters such as the colloid volume fraction and the strength and nature of the colloidal interactions are varied. Seemingly subtle changes in the characteristics of the colloids can markedly alter the mechanical rigidity and flow behavior of these soft composite materials. This sensitivity creates both a scientific challenge and an opportunity for designing suspensions for specific applications. In this paper, we report a novel mechanism of gel formation in mixtures of weakly attractive nanocolloids with modest size ratio. Employing a combination of x-ray photon correlation spectroscopy, rheometry, and molecular dynamics simulations, we find that gels are stable at remarkably weaker attraction in mixtures with size ratio near two than in the corresponding monodisperse suspensions. In contrast with depletion-driven gelation at larger size ratio, gel formation in the mixtures is triggered by microphase demixing of the species into dense regions of immobile smaller colloids surrounded by clusters of mobile larger colloids that is not predicted by mean-field thermodynamic considerations. These results point to a new route for tailoring nanostructured colloidal solids through judicious combination of interparticle interaction and size distribution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Structure of retrograde circumbinary accretion disks

We evaluate the interactions between a central equal mass binary and a surrounding retrograde circumbinary accretion disk in a three-dimensional, MHD simulation. We find (as widely expected) that the net torque expressed on a retrograde circumbinary disk by the central binary is much (more than two orders of magnitude) smaller than when the disk orbits in the prograde direction. For this reason, unlike the prograde case, there is no “gap” carved out of the retrograde disk, and accreting fluid can travel directly from the disk to the domain of the binary. For the same reason, retrograde disks do not develop the large-amplitude “lumps” generically seen near the inner edges of prograde disks. Although not directly treated in this simulation, the finite extent of accretion disks around the individual masses of the binary can lead to shocks between their outer edges and the circumbinary disk, potentially creating a photon signal modulated at the binary orbital period. The spectra of these shocks should peak in the hard X-ray band as is expected for prograde systems, but retrograde systems would not be expected to display a “notch” in the optical/UV band. Because the disk’s angular momentum is directed oppositely to that of the binary, accretion onto the binary causes a rapid increase in eccentricity. Lastly, we discuss the comparative rates of orbital evolution associated with accretion in prograde and retrograde circumbinary disks, finding that the principal contrast is that e-dot should be rather greater in the retrograde case.

79 ASTRONOMY AND ASTROPHYSICS↗