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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Impact of wet-dry cycling on the phase behavior and compartmentalization properties of complex coacervates

Abstract Wet-dry cycling on the early Earth is thought to have facilitated production of molecular building blocks of life, but its impact on self-assembly and compartmentalization remains largely unexplored. Here, we investigate dehydration/rehydration of complex coacervates, which are membraneless compartments formed by phase separation of polyelectrolyte solutions. Solution compositions are identified for which tenfold water loss results in maintenance, disappearance, or appearance of coacervate droplets. Systems maintaining coacervates throughout the dehydration process are further evaluated to understand how their compartmentalization properties change with drying. Although added total RNA concentrations increase tenfold, RNA concentration within coacervates remains steady. Exterior RNA concentrations rise, and exchange rates for encapsulated versus free RNAs increase with dehydration. We explain these results in light of the phase diagram, with dehydration-driven ionic strength increase being particularly important in determining coacervate properties. This work shows that wet-dry cycling can alter the phase behavior and protocell-relevant functions of complex coacervates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Optimization of the Post-Operational Phase on Two Belgian Multi-Unit Nuclear Power Plants: the Case of the Non-Fissile Irradiated Core Items - 20156

The current legal framework in Belgium foresees the progressive phase out of nuclear power between October 2022 (Doel 3) and December 2025 (Doel 2). Upon its definitive shutdown, each unit of the Tihange and Doel sites will enter a Post-Operational Phase (POP) and be prepared for its Decontamination and Decommissioning (D and D). Prior to obtaining the D and D license, the Operator Electrabel is legally required to remove any non-fissile irradiated core items stored in the deactivation pools. The non-fissile irradiated core items consist essentially of control rods, poison rods and source thimbles as well as thimble plugs and foreign materials irradiated during operation: - Their significant content in highly radiant radionuclides (up to 6 TBq of Co-60 per kg of irradiated material) renders all existing operational waste management processes inadequate due to insufficient biological shielding; - Their high concentrations in long-lived radionuclides call for their disposal in a geological repository for which no final design nor waste acceptance criteria are expected prior to 2050. Uncertainties in the Belgian energy supply and security, however, require the Operator to be prepared for a partial nuclear phase out, where one or more units would benefit from lifetime extension while the remaining units would undergo decommissioning. The present paper aims at presenting how Electrabel, in partnership with Tractebel, addressed this challenge by maximizing the use of synergies within the respective sites as well as between both sites themselves, all the while accounting for site specificities. The most recent results and state of progress of the project will be detailed and the first lessons learned will be shared. The project has been split in multiple tasks and phased as follows: - An inventory phase aimed at mapping the contents, origin, composition and history of the non-fissile irradiated core items; - A pre-characterization phase based on neutron activation models; - A waste sorting phase aimed at separating waste forms for which an evacuation route exists from those for which such route does not exist; - A feasibility phase aimed at exploring all possible scenarios for the management of non-fissile irradiated core items and identifying the optimal feasible solution for each site; - A preparation phase (currently ongoing), developing further the optimal solution and ensuring that back-up solutions are available for any foreseeable change of context (licensing issue, modification in the nuclear phase-out program, etc.) and initiating early contacts with potential subcontractors for segmentation works and cask manufacturers, as well as the Belgian regulatory body and waste management agency. This phase also foresees the investigation of destructive and non-destructive radiological measurements to support the detailed characterization of the waste forms; - A realization phase (future work). (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Effect of solute concentration on the spectral induced polarization response of calcite precipitation

SUMMARY Induced calcite precipitation is used in geotechnics to modify the mechanical and hydrological properties of the underground. Laboratory experiments have shown that spectral induced polarization (SIP) measurements can detect calcite precipitation. However, the results of previous studies investigating the SIP response of calcite precipitation were not fully consistent. This study aims to investigate how the SIP response of calcite depends on solute concentration to explain the differences in SIP response observed in previous studies. A four-phase experiment with SIP measurements on a column filled with sand was performed. In phase I, calcite precipitation was generated for a period of 12 d by co-injecting Na2CO3 and CaCl2 solutions through two different ports. This resulted in a well-defined calcite precipitation front, which was associated with an increase in the imaginary part of the conductivity ($\sigma ^{\prime\prime}$). In phase II, diluted solutions were injected into the column. This resulted in a clear decrease in $\sigma ^{\prime\prime}$. In phase III, the injection of the two solutions was stopped while calcite precipitation continued and solute concentrations in the mixing zone decreased. Again, this decreased $\sigma ^{\prime\prime}$. Finally, the injection rate of the Na2CO3 solution was reduced relative to that of the CaCl2 solution in phase IV. This resulted in a shift of the mixing zone away from the calcite precipitation front established in phase I and an associated decrease of $\sigma ^{\prime\prime}$. These results imply that the SIP response of calcite is highly sensitive to the solute concentration near the precipitates, which may explain previously reported conflicting results.

Izumoto, Satoshi↗
DOE OSTI2024

Formation of zinc carbonate phases on dissolving calcite, aragonite, and vaterite in acidic aqueous solutions

Calcium carbonate (CaCO 3 ) minerals serve as a major sink to retain metal ions through mineral-water interfacial reactions in which the capacity and long-term stability of contaminant uptake are influenced by coupled dissolution and precipitation reactions of both primary and secondary carbonate minerals (i.e., mineral replacement). Notably, recent studies of calcite reactivity in acidic solutions containing high levels of metal ions demonstrated complex behavior under conditions of sustained disequilibrium. Here, we explored the reactivity of three CaCO 3 polymorphs (calcite, aragonite, and vaterite) with acidic Zn 2+ -containing aqueous solutions using a suite of imaging techniques including optical and scanning electron microscopies, synchrotron-based micro X-ray fluorescence, and transmission X-ray microscopy. Zn uptake by calcite occurred through a two-step process: the formation of a thin layer of the zinc precipitate on the substrate surface followed by the growth of fibrous and radiating hydrozincite particles from the layer. In contrast, Zn uptake by aragonite occurred by mineral replacement where the secondary Zn carbonate phase preserved the external morphology of the original crystal (i.e., a pseudomorph). The replacement of vaterite by hydrozincite occurred within the confined space beneath the porous shell of vaterite, signifying that the primary mechanism driving Zn carbonate precipitation was chemical exchange through the pores. When multiple CaCO 3 polymorphs coexisted, the replacement of aragonite and vaterite occurred preferentially over that of calcite. These results demonstrate the distinct morphological and mineralogical controls over the reactivities of calcium carbonate minerals with Zn 2+ under acidic conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

A general peridynamics model for multiphase transport of non-Newtonian compressible fluids in porous media

Herein a general state-based peridynamics model is developed to simulate transport of fluids in an arbitrary heterogeneous porous medium. The generality encompasses modeling of multiphase, multi-component flow of non-Newtonian and compressible fluids, which is often encountered in but not limited to subsurface reservoirs. Peridynamic model is especially useful for solving non-local problems, such as crack propagation, since it does not assume spatial continuity of field variables. Thus, the formulation presented here, combined with peridynamics-based damage model, can be used to simulate hydraulic fracturing with complex fluids. To demonstrate its capability to simulate multi-phase flow in porous media, the derived model is verified against the analytical Buckley-Leverett solution for immiscible Newtonian two-phase flow. Further, the non-Newtonian two-phase fluid flow in porous media is verified by simulating the polymer flood process involving immiscible displacement of a Newtonian fluid by a non-Newtonian fluid against a generalized solution obtained by Wu et al. The non-local solutions are shown to be consistent with the corresponding local solutions in limiting cases. Moreover, mass conservation of all the phases is satisfied, irrespective of discretization and extent of non-locality.

42 ENGINEERING↗
DOE OSTI2022

A physics-based model of cladding wastage layer formation rate

In this report, lower length scale simulations to inform an engineering-scale model of fuel-cladding chemical interaction (FCCI) conducted under the auspices of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in FY22 are described. An overall strategy for the implementation of the BISON model is described, and the past and current lower length scale work on FCCI formation is put into the context of this overall strategy. Density functional theory and kinetic Monte Carlo simulations are used to determine the diffusion coefficient of neodymium in iron. Density functional theory calculations are also used to parameterize a parabolic approximation for the dependence of free energy on composition for the intermetallic compound Fe 17 Nd 2 . A phase-field model of the Fe-Nd system was developed that includes the random solid solution body-centered cubic phase and the intermetallic Fe 17 Nd 2 . The model was used to simulate growth of the intermetallic layer in a diffusion couple and the results were compared to experiment. The model’s prediction of the parabolic growth constant is within 40 % of the experimental value. The model is also used to simulate the formation of a grain boundary attack layer that is observed in experiment. The simulations show enhanced Nd concentration along the grain boundaries, but do not clearly show formation of a Fe 17 Nd 2 layer

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

The Hanford Waste End Effector Phase II Test Report

This report describes the Phase II testing program of the Hanford Waste End Effector (HWEE) at the Washington River Protection Solutions Cold Test Facility (CTF). Phase II testing builds on the completed Phase I development testing (PNNL-26856) to address some key actual waste challenges as outlined in the Phase II test plan (PNNL-27422). This testing demonstrated retrieval of a mixed layered simulant and retrieval of uneven simulant profiles like that found near tank walls. A separate demonstration using only the HWEE conveyance jet pump assessed the lifting capabilities of this device for transporting waste out of an underground tank. The Pacific Northwest National Laboratory (PNNL)-designed robotic gantry system and associated systems (e.g., tanks, high-pressure water delivery and valves, instruments, etc.) used at CTF during Phase I were modified and upgraded to implement the Phase II test program and measure various process parameters. The tests demonstrated retrieval of water and Kaolin (sludge) simulant to determine pumping rate, dilution factors, and screen fouling rate. This report will first describe the test equipment, instrumentation, simulant preparation procedures, and testing methodology. Testing results presented include HWEE water usage versus operating pressure of modified components from Phase I, simulant characterization data, dilution ratios, and retrieval rates. Reaction forces and other factors that would affect the remote operation of the HWEE will also be presented. Results of the separate jet pump vertical lift demonstration to a fixed height of at least 35 feet are also presented.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Cascading phase transformations in high carbon steel resulting in the formation of inverse bainite: An atomic scale investigation

Atom probe tomography (APT) has been implemented to understand the redistribution of solutes during the isothermal cascading phase transformations from supersaturated austenite resulting in the formation of inverse bainite. Different cascading reactions resulting in the formation of inverse bainite, namely the cementite midrib formation, ferrite formation, secondary cementite formation, and the degenerated microstructure of inverse bainite have been studied in detail. Solute profiles across the different transformation interfaces indicate Negligible Partitioning Local Equilibrium (NPLE) type growth kinetics for cementite midrib, whereas a transition in growth kinetics from Para Equilibrium (PE) to Negligible Partitioning Local Equilibrium (NPLE) is observed for secondary cementite and ferrite transformation. The results demonstrate a strong indication that the inverse bainitic transformation occurs as a consequence of individual cascading phase transformations starting from parent austenite, and the transformation of inverse bainite occurs in a similar manner to Widmanstatten ferrite/bainitic ferrite with carbon diffusion-controlled growth, and without any reconstructive or long-range diffusion of substitutional solutes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mass transport in a highly immiscible alloy on extended shear deformation

Forced mixing to a single phase or supersaturated solid solution (SSS) and its prerequisite microstructure evolution in immiscible systems has been a focus of research for both fundamental science and a variety of applications. Controlling the formation of SSS by shear deformation assisted processing could enable a material design beyond conventional equilibrium microstructure in immiscible systems. Here, a highly immiscible (mixing enthalpy of ~ 20 kJ·mol -1 ) Cu-50 at. % Cr binary alloy was employed to investigate the microstructure evolution and localized tendencies of SSS during severe shear deformation. The present results demonstrate distinctive microstructure refinement process in each phase and how they lead to localized SSS as a function of shear strain. Preferential dynamic recrystallization occurs in the softer Cu phase due to strain localization, leading to substantial grain refinement. The refinement of Cr phase in the top-most layer, however, is enabled by the progressive evolution of grain lamination, splitting, and fragmentation as a function of shear strain. The eventual SSS is found to be strongly dependent on the local environments that affect the dislocation activity, including the level of microstructure refinement, the interfacial orientation relationship, hardness difference, and supposed stability of oxidation. Ab initio simulations comfirm that it is more favorable to oxidize Cr than Cu at incoherent Cu/Cr interfaces which then limits the mass transport on an incoherent boundary. Our results shed light on the underpinning mechanism for non-equilibrium mass transport in immiscible systems upon severe deformation that can be applicable to a variety of processing techniques aimed at producing immiscible alloys with superior mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Systematic discovery of new nano-scale metastable intermetallic eutectic phases in laser rapid solidified Aluminum-Germanium alloy

Laser surface remelting of as-cast Al-Ge eutectic alloy is shown to produce ultrafine lamellar eutectic morphology with interlamellar spacing refined up to ∼60 nm and composed of FCC Al solid solution and unusual Al x Ge y intermetallic phases that do not form during near-equilibrium solidification. The microstructures are characterized and analyzed using a combination of selected area electron diffraction, high-resolution scanning transmission electron microscopy, energy dispersive X-ray spectroscopy to obtain high-resolution elemental maps, and atomistic modeling using density functional theory followed by atomic-scale image simulation. Depending on the local solidification conditions, the crystallography of the Al x Ge y intermetallic phases in the eutectic microstructure is either monoclinic (C 2/c) or monoclinic (P 2 1 ), with high densities of defects in both cases. This is in sharp contrast to the as-cast alloys that showed nominally pure Al and Ge phases with significant solute partitioning and equilibrium FCC and diamond cubic crystal structures, respectively. Corresponding kinetic phase diagrams are proposed to interpret the evolution of nano-lamellar eutectic morphologies with equilibrium Al and metastable Al x Ge y phases, and to explain increased solid solubility in the Al phases manifested by precipitation of ultrafine clusters of Ge. Furthermore, the reasons for the formation of these metastable eutectics under laser rapid solidification are discussed from the perspective of the competitive growth criterion.

Al-Ge eutectic↗
NASA NTRS2012

Friction-Stir-Welded and Spin-Formed End Domes for Cryogenic Tanks

Manufacturing of single-piece end domes for cryogenic tanks employing spin forming of tailored, friction-stir-welded blanks of Al-Li alloy 2195 plate offers cost and reliability benefits. The introduction of plastic deformation into a friction stir weld is a unique feature of the proposed manufacturing route. This investigation addressed abnormal grain growth [AGG] within the friction stir weldments during postfabrication processing of a prototype dome. The phenomenon of AGG was observed during the solution heat treatment [SHT] phase of T8 tempering and is a major concern for meeting specifications. Such abrupt microstructural transitions can be detrimental to notch-sensitive mechanical properties, such as ductility and/or fracture toughness. If the issue of AGG cannot be resolved, then the acceptance of this approach as a viable manufacturing route may be in jeopardy. The innovative approach adopted in this investigation was the insertion of a stand-alone, Intermediate Annealing Treatment [IAT] between the spin forming and T8 processing operations. A simple, recovery annealing step was deemed to be the most readily-scalable solution when fabricating thin-walled, ellipsoidal domes. The research effort culminated in the development of an effective IAT, which resulted in a significant decrease in AGG following SHT. The processing philosophy adopted in designing the IAT is outlined and the microstructural reasons for success are discussed. The analytical results presented are consistent with promoting continuous grain growth during the IAT, thereby suppressing AGG during the SHT.

Hales, S. J.↗
NASA NTRS1994

Radiation boundary condition and anisotropy correction for finite difference solutions of the Helmholtz equation

In this paper finite-difference solutions of the Helmholtz equation in an open domain are considered. By using a second-order central difference scheme and the Bayliss-Turkel radiation boundary condition, reasonably accurate solutions can be obtained when the number of grid points per acoustic wavelength used is large. However, when a smaller number of grid points per wavelength is used excessive reflections occur which tend to overwhelm the computed solutions. Excessive reflections are due to the incompability between the governing finite difference equation and the Bayliss-Turkel radiation boundary condition. The Bayliss-Turkel radiation boundary condition was developed from the asymptotic solution of the partial differential equation. To obtain compatibility, the radiation boundary condition should be constructed from the asymptotic solution of the finite difference equation instead. Examples are provided using the improved radiation boundary condition based on the asymptotic solution of the governing finite difference equation. The computed results are free of reflections even when only five grid points per wavelength are used. The improved radiation boundary condition has also been tested for problems with complex acoustic sources and sources embedded in a uniform mean flow. The present method of developing a radiation boundary condition is also applicable to higher order finite difference schemes. In all these cases no reflected waves could be detected. The use of finite difference approximation inevita bly introduces anisotropy into the governing field equation. The effect of anisotropy is to distort the directional distribution of the amplitude and phase of the computed solution. It can be quite large when the number of grid points per wavelength used in the computation is small. A way to correct this effect is proposed. The correction factor developed from the asymptotic solutions is source independent and, hence, can be determined once and for all. The effectiveness of the correction factor in providing improvements to the computed solution is demonstrated in this paper.

Tam, Christopher K. W.↗
DOE OSTI2021

Probing the exact form and doping preference of magnesium in ordinary Portland cement clinker phases: A study from experiments and DFT simulations

Highlights: • The doping behaviors of Mg in OPC clinker phases were systematically studied. • About 1.3 wt% MgO enter OPC clinker phases by forming substitutional solid solutions. • In the 4 composed minerals, C{sub 3}S, C{sub 3}A and C{sub 4}AF can host more Mg ions than C{sub 2}S. • Mg ions prefer to replace Ca in C{sub 3}S, C{sub 2}S and C{sub 3}A while replace Fe and Ca in C{sub 4}AF. • Both the large structure distortions and formation energies governs the low solubility. A systematic study was performed to learn the exact existence form and doping behaviors of magnesium in ordinary Portland cement (OPC) clinker. Our results show that about 1.3 wt% MgO incorporates into OPC clinker phases by forming substitutional solid solutions while excess Mg accumulate and exist as periclase. Results from Rietveld refinement present a substitution preference in C{sub 3}S and C{sub 3}A over C{sub 2}S. More in-depth analyses from density function theoretical simulations show that in C{sub 3}S, C{sub 2}S and C{sub 3}A, the substitution occurs by replacing Ca while in C{sub 4}AF, it probably occurs by substituting Fe and Ca ions. The large structure distortions and sharp increase in formation energies with increasing MgO determines its low solubility. This work provides a clear understanding of the existence states and the intrinsic mechanism governing doping behaviors of Mg, thus should be very important in guiding the synthesis of OPC clinker by utilizing high-Mg limestone.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Triggering of longitudinal combustion instabilities in solid rocket motors: Nonlinear combustion response

Pulsed oscillations in solid rocket motors are investigated with emphasis on nonlinear combustion response. The study employs a wave equation governing the unsteady motions in a two-phase flow, and a solution technique based on spatial- and time-averaging. A wide class of combustion response functions is studied to second-order in fluctuation amplitude to determine if, when, and how triggered instabilities arise. Conditions for triggering are derived from analysis of limit cycles, and regions of triggering are found in parametric space. Based on the behavior of model dynamical systems, introduction of linear cross-coupling and quadratic self-coupling among the acoustic modes appears to be the manner in which the nonlinear combustion response produces triggering to a stable limit cycle. Regions of initial conditions corresponding to stable pulses were found, suggesting that stability depends on initial phase angle and harmonic content, as well as the composite amplitude, of the pulse.

Wicker, J. M.↗
NASA NTRS2008

Characterization of a New Phase and Its Effect on the Work Characteristics of a Near-Stoichiometric Ni30Pt20Ti50 High-Temperature Shape Memory Alloy (HTSMA)

A new phase observed in a nominal Ni30Pt20Ti50 (at.%) high temperature shape memory alloy has been characterized using transmission electron microscopy and 3-D atom probe tomography. This phase forms homogeneously in the B2 austenite matrix by a nucleation and growth mechanism and results in a concomitant increase in the martensitic transformation temperature of the base alloy. Although the structure of this phase typically contains a high density of faults making characterization difficult, it appears to be trigonal (-3m point group) with a(sub o) approx. 1.28 nm and c(sub o) approx. 1.4 nm. Precipitation of this phase increases the microhardness of the alloy substantially over that of the solution treated and quenched single-phase material. The effect of precipitation strengthening on the work characteristics of the alloy has been explored through load-biased strain-temperature testing in the solution-treated condition and after aging at 500 C for times ranging from 1 to 256 hours. Work output was found to increase in the aged alloy as a result of an increase in transformation strain, but was not very sensitive to aging time. The amount of permanent deformation that occurred during thermal cycling under load was small but increased with increasing aging time and stress. Nevertheless, the dimensional stability of the alloy at short aging times (1-4 hours) was still very good making it a potentially useful material for high-temperature actuator applications.

Garg, A.↗
NASA NTRS1977

Assessment of analytical techniques for predicting solid propellant exhaust plumes and plume impingement environments

An analysis of experimental nozzle, exhaust plume, and exhaust plume impingement data is presented. The data were obtained for subscale solid propellant motors with propellant Al loadings of 2, 10 and 15% exhausting to simulated altitudes of 50,000, 100,000 and 112,000 ft. Analytical predictions were made using a fully coupled two-phase method of characteristics numerical solution and a technique for defining thermal and pressure environments experienced by bodies immersed in two-phase exhaust plumes.

Tevepaugh, J. A.↗
NASA NTRS1998

Confined States in Large-Aspect-Ratio Thermosolutal Convection

Two-dimensional thermosolutal convection with no-slip boundary conditions is studied using numerical simulations in a periodic domain. The domain is large enough to follow the evolution of phase instabilities of fully nonlinear traveling waves. In the parameter regime studied these instabilities evolve, without loss of phase or hysteresis, into a series of confined states or pulses characterized by locally enhanced heat and solute transport. The wavelength and phase velocity of the traveling rolls within a pulse differ substantially from those in the background. The pulses drift in the same direction as the convection rolls on which they ride but more slowly, and are characterized by an exponential leading front and an oscillatory trailing end. Multiple, apparently stable, states are found for identical parameter values. The qualitative properties of the pulses are in good agreement with the predictions of a third-order phase equation which accounts for the relation between wave number and phase velocity, the oscillatory tails and the multiplicity of states. These properties of the pulses are shown to be a consequence of Shil'nikov dynamics in the spatial domain.

Spina, Alejandro↗