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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A CONDUCTION-BASED HEAT PIPE MODEL FOR ANALYZING THE ENTIRE PROCESS OF LIQUID-METAL HEAT PIPE STARTUP

The Heat Pipe-cooled Microreactor (HPM) is one of the micro nuclear reactor designs under active study at the U.S. Idaho National Laboratory. Among the major concerns of HPM research is to understand the startup behavior of the heat pipe-cooled system associated with the startup of the liquid-metal heat pipes initialing from frozen state. The startup of liquid-metal heat pipes typically involves a number of nonlinear mass and heat transport processes including the phase change from solid to liquid and vapor. Hence, it is still a huge challenge to simulate the liquid-metal heat pipe startup using conventional CFD methods and software. The major difficulties of numerical CFD modeling come from the phase-change process, multiphase interaction, microporous wick flow, and compressible gas dynamics that occur during startup of the liquid-metal heat pipes. This paper proposes a simplified conduction-based method to provide practical insights into the entire startup process of the liquid-metal heat pipes while mitigating the challenges of addressing all the complex physics. We discuss the theoretical basis and modeling assumptions to analyze the liquid-metal heat pipe startup from frozen state based solely on heat-conduction equations. Then, the proposed model is implemented into the commercial CFD software to verify the model performance. The model prediction results are discussed via the comparison with the experimental data obtained from sodium heat-pipe startup experiments.

42 ENGINEERING↗
DOE OSTI2021

Ultrafast visualization of phase transitions in nonequilibrium warm dense matter

Intense ultrafast laser excitation brings materials into highly nonequilibrium states with complex solid–liquid phase transitions. These ultrafast processes yield warm dense matter (WDM) conditions characterized by comparable thermal and Fermi energies, and strong ion–ion coupling. Here, we review recent studies employing mega-electron-volt ultrafast electron diffraction to resolve the structural dynamics of nonequilibrium WDM created by femtosecond laser heating of solids. Furthermore, for the study of warm dense gold, the results showed homogeneous melting that occurs within tens of picoseconds at absorbed energy densities of 0.4–1.4 MJ/kg. These results constrained the electron–ion coupling rate and revealed the melting sensitivity to nucleation seeds. For the study of radiation-damaged tungsten, the results showed a melting transition below the melting temperature. Molecular dynamics simulations suggested that this melting behavior is driven by vacancy defect clusters from radiation damage. These studies provided atomic-level insights into the melting behavior of materials under extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Revisiting low-fidelity two-fluid models for gas–solids transport

Two-phase gas–solids transport models are widely utilized for process design and automation in a broad range of industrial applications. Some of these applications include proppant transport in gaseous fracking fluids, air/gas drilling hydraulics, coal-gasification reactors and food processing units. Systems automation and real time process optimization stand to benefit a great deal from availability of efficient and accurate theoretical models for operations data processing. However, modeling two-phase pneumatic transport systems accurately requires a comprehensive understanding of gas–solids flow behavior. In this study we discuss the prevailing flow conditions and present a low-fidelity two-fluid model equation for particulate transport. The model equations are formulated in a manner that ensures the physical flux term remains conservative despite the inclusion of solids normal stress through the empirical formula for modulus of elasticity. A new set of Roe–Pike averages are presented for the resulting strictly hyperbolic flux term in the system of equations, which was used to develop a Roe-type approximate Riemann solver. The resulting scheme is stable regardless of the choice of flux-limiter. The model is evaluated by the prediction of experimental results from both pneumatic riser and air-drilling hydraulics systems. We demonstrate the effect and impact of numerical formulation and choice of numerical scheme on model predictions. We illustrate the capability of a low-fidelity one-dimensional two-fluid model in predicting relevant flow parameters in two-phase particulate systems accurately even under flow regimes involving counter-current flow.

42 ENGINEERING↗
DOE OSTI2024

Upcycled high-strength aluminum alloys from scrap through solid-phase alloying

Although recycling secondary aluminum can lead to energy consumption reduction compared to primary aluminum manufacturing, products produced by traditional melt-based recycling processes are inherently limited in terms of alloy composition and microstructure, and thus final properties. To overcome the constraints associated with melting, we have developed a solid-phase recycling and simultaneous alloying method. This innovative process enables the alloying of 6063 aluminum scrap with copper, zinc, and magnesium to form a nanocluster-strengthened high-performance aluminum alloy with a composition and properties akin to 7075 aluminum alloy. The unique nanostructure with a high density of Guinier-Preston zones and uniformly precipitated nanoscale η‘/Mg(CuZn) 2 strengthening phases enhances both yield and ultimate tensile strength by >200%. By delivering high-performance products from scrap that are not just recycled but upcycled , this scalable manufacturing approach provides a model for metal reuse, with the option for on-demand upcycling of a variety of metallic materials from scrap sources.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Metastable–solid phase diagrams derived from polymorphic solidification kinetics

Nonequilibrium processes during solidification can lead to kinetic stabilization of metastable crystal phases. A general framework for predicting the solidification conditions that lead to metastable-phase growth is developed and applied to a model face-centered cubic (fcc) metal that undergoes phase transitions to the body-centered cubic (bcc) as well as the hexagonal close-packed phases at high temperatures and pressures. Large-scale molecular dynamics simulations of ultrarapid freezing show that bcc nucleates and grows well outside of the region of its thermodynamic stability. An extensive study of crystal–liquid equilibria confirms that at any given pressure, there is a multitude of metastable solid phases that can coexist with the liquid phase. We define for every crystal phase, a solid cluster in liquid (SCL) basin, which contains all solid clusters of that phase coexisting with the liquid. Additionally, a rigorous methodology is developed that allows for practical calculations of nucleation rates into arbitrary SCL basins from the undercooled melt. It is demonstrated that at large undercoolings, phase selections made during the nucleation stage can be undone by kinetic instabilities amid the growth stage. On these bases, a solidification–kinetic phase diagram is drawn for the model fcc system that delimits the conditions for macroscopic grains of metastable bcc phase to grow from the melt. We conclude with a study of unconventional interfacial kinetics at special interfaces, which can bring about heterogeneous multiphase crystal growth. A first-order interfacial phase transformation accompanied by a growth-mode transition is examined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Preparing Li-garnet electrodes with engineered structures by phase inversion and high shear compaction processes

We report solid-state lithium batteries are promising for safety and energy density com-pared with traditional lithium-ion batteries. However, the large interfacial resistance between the electrode and electrolyte is a bottleneck to achieving high-performance solid-state batteries. Engineered electrode structures with a porous scaffold of the solid electrolyte material are promising to lower the interfacial resistance and provide a mechanical support for a thin solid electrolyte layer. In this work, two ceramic processing techniques are used to fabricate porous/dense bilayer architectures based on a Li 6.25 Al 0.25 La 3 Zr 2 O 12 (LLZO) Li-garnet material. Finger-like vertically aligned pores are created by the phase inversion (PI) process. A water bath presaturated with Li salt prevents Li loss during the PI solvent exchange step. Pore size and porosity can be optimized by adjusting the bath temperature. The high shear compaction process was used to prepare LLZO tapes with 40, 60, and 80 vol% poreformer. The porosity of the tapes after sintering is 39.5%, 58.4%, and 75.4%, respectively. Microtomography exhibits the porosity, pore shape, and pore distribution of the tapes. A typical cathode material LiNi 0.33 Mn 0.33 Co 0.33 O 2 (NMC) is filled into the pores via vacuum infiltration, and a dense cathode layer is formed within the garnet scaffold.

25 ENERGY STORAGE↗
DOE OSTI2026

Achieving high rate performance in hybrid pristine-recycled cathodes using model-informed electrode designs

Direct recycling lithium-ion battery cathodes, a process that retains the engineered oxide structures from end-of-life materials, presents a cost-effective and energy-efficient alternative to other battery recycling methods. However, while direct-recycled cathodes have demonstrated performance comparable to that of pristine materials at low cycling rates, their high-rate performance remains uncertain. Morphology changes in cathode particles, a main mode of degradation, directly impact rate performance by limiting surface kinetics and solid-phase diffusion. If direct recycling processes do not sufficiently restore pristine-like morphologies, the recycled materials may retain structural defects that hinder high-rate performance. The present work uses a physics-based pseudo-2D model to simulate hybrid electrodes with pristine and artificially “aged/recycled” NMC materials to investigate potential impacts of incorporating performance-limited aged cathode materials into cells. The study highlights how differences in transport and kinetic properties can influence rate capabilities in mixed electrodes — particularly in high-loading cells in high-demand applications. However, model results also reveal a possible mitigation strategy via dual-layer electrode architectures with lower-performing materials positioned near the current collector. Simulations of 4.0 mAh cm −2 cells cycled at 4C using a dual-layer architecture provided approximately 5%–30% more capacity in constant-current protocols compared to homogeneously blended electrode architectures with the same loadings and mixed-material compositions. These findings highlight the importance of strategic electrode design in minimizing potential performance losses and facilitating the integration of recycled materials into high-performance batteries, advancing sustainable and cost-effective battery manufacturing.

25 ENERGY STORAGE↗
DOE OSTI2016

CoCrMo cellular structures made by Electron Beam Melting studied by local tomography and finite element modelling

The work focuses on the structural and mechanical characterization of Co-Cr-Mo cellular samples with cubic pore structure made by Electron Beam Melting (EBM). X-ray tomography was used to characterize the architecture of the sample. High resolution images were also obtained thanks to local tomography in which the specimen is placed close to the X-ray source. These images enabled to observe some defects due to the fabrication process: small pores in the solid phase, partially melted particles attached to the surface. Then, in situ compression tests were performed in the tomograph. The images of the deformed sample show a progressive buckling of the vertical struts leading to final fracture. The deformation initiated where the defects were present in the strut i.e. in regions with reduced local thickness. The finite element modelling confirmed the high stress concentrations of these weak points leading to the fracture of the sample. - Highlights: • CoCrMo samples fabricated by Electron Beam Melting (EBM) process are considered. • X-ray Computed Tomography is used to observe the structure of the sample. • The mechanical properties are tested thanks to an in situ test in the tomograph. • A finite element model is developed to model the mechanical behaviour.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Phase separation and ripening in a viscoelastic gel

The process of phase separation in elastic solids and viscous fluids is of fundamental importance to the stability and function of soft materials. We explore the dynamics of phase separation and domain growth in a viscoelastic material such as a polymer gel. Using analytical theory and Monte Carlo simulations, we report a domain growth regime in which the domain size increases algebraically with a ripening exponent α that depends on the viscoelastic properties of the material. For a prototypical Maxwell material, we obtain α = 1 , which is markedly different from the well-known Ostwald ripening process with α = 1 / 3 . We generalize our theory to systems with arbitrary power-law relaxation behavior and discuss our findings in the context of the long-term stability of materials as well as recent experimental results on phase separation in cross-linked networks and cytoskeleton.

Science & Technology - Other Topics↗
DOE OSTI2023

Diffusion, atomic transport, and ordering in Al-Zr alloys: FCC and liquid phases

Additive manufacturing of materials with controlled microstructure demands knowledge of atomic scale properties near the solid-liquid transition state. Many of these properties are not affordable by experimental techniques and computer modeling is the possible solution to the problem. In this paper, we present the results of an extended atomistic study of intrinsic atomic transport due to vacancy diffusion in FCC and L12 solid phases and diffusion in the liquid phase of Al-Zr alloys. A deceleration of the overall self-diffusion was observed when Zr was added to Al. The effect was stronger in the solid and weaker in the liquid. Additionally, the effect was strongly temperature dependent in the solid phases, but not in the liquid. Atomic transport was chemically biased: transport of Zr atoms was significantly slower than that of Al atoms, and this bias effect was stronger in the solid phases. The overall diffusion and chemical ordering processes in the liquid state were five to six orders in magnitude faster than in the solid. Chemical short-range order parameters in the liquid saturated at values close to those in the ordered L12 structure of Al3Zr. Chemical and structural ordering in the solid phases was negligible over the modeled microsecond time scale. Here, the results are discussed in view of optimizing additive manufacturing parameters for the controlled formation of metastable L1 2 precipitates.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Manufacturing Science

The Manufacturing Science area of leadership spans the application of fundamental science research and development activities to understand the critical steps in manufacturing processes for the purposes of control and optimization. Although manufacturing is an applied area of research, fundamental science underpins our knowledge of both traditional and transformational manufacturing processes. For example, casting, welding, and many modern additive manufacturing processes that see wide use are broadly classified as solidification processes, with material transitioning from liquid to solid phases upon cooling from higher temperature. However, our understanding of the detailed physics involved in such processes is incomplete, and solidification remains a grand challenge for materials science. To enable adoption of transformative fabrication processes or to accelerate development of traditional ones, it is necessary to develop a detailed mechanistic understanding spanning multiple scales, starting with atomic building blocks (defects, interfaces, composition) and extending all the way up to macroscale performance in moderate and/or extreme environments.

36 MATERIALS SCIENCE↗
DOE OSTI2016

In Situ and Ex Situ TEM Study of Lithiation Behaviours of Porous Silicon Nanostructures

Here in this work, we study the lithiation behaviours of both porous silicon (Si) nanoparticles and porous Si nanowires by in situ and ex situ transmission electron microscopy (TEM) and compare them with solid Si nanoparticles and nanowires. The in situ TEM observation reveals that the critical fracture diameter of porous Si particles reaches up to 1.52 μm, which is much larger than the previously reported 150 nm for crystalline Si nanoparticles and 870 nm for amorphous Si nanoparticles. After full lithiation, solid Si nanoparticles and nanowires transform to crystalline Li 15 Si 4 phase while porous Si nanoparticles and nanowires transform to amorphous Li x Si phase, which is due to the effect of domain size on the stability of Li 15 Si 4 as revealed by the first-principle molecular dynamic simulation. Ex situ TEM characterization is conducted to further investigate the structural evolution of porous and solid Si nanoparticles during the cycling process, which confirms that the porous Si nanoparticles exhibit better capability to suppress pore evolution than solid Si nanoparticles. The investigation of structural evolution and phase transition of porous Si nanoparticles and nanowires during the lithiation process reveal that they are more desirable as lithium-ion battery anode materials than solid Si nanoparticles and nanowires.

25 ENERGY STORAGE↗
DOE OSTI2016

Review on dielectric properties of rare earth doped barium titanate

Rare earth doped Barium Titanate (BaTiO{sub 3}) were studied due to high permittivity, excellent electrical properties and have wide usage in various applications. This paper reviewed on the electrical properties of RE doped BaTiO{sub 3} (RE: Lanthanum (La), Erbium (Er), Samarium (Sm), Neodymium (Nd), Cerium (Ce)), processing method, phase transition occurred and solid solution range for complete study. Most of the RE doped BaTiO{sub 3} downshifted the Curie temperature (T{sub C}). Transition temperature also known as Curie temperature, T{sub C} where the ceramics had a transition from ferroelectric to a paraelectric phase. In this review, the dielectric constant of La-doped BaTiO{sub 3}, Er-doped BaTiO{sub 3}, Sm-doped BaTiO{sub 3}, Nd-doped BaTiO{sub 3} and Ce-doped BaTiO{sub 3} had been proved to increase and the transition temperature or also known as T{sub C} also lowered down to room temperature as for all the RE doped BaTiO{sub 3} except for Er-doped BaTiO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Micrometer-sized Water Ice Particles for Planetary Science Experiments: Influence of Surface Structure on Collisional Properties

Models and observations suggest that ice-particle aggregation at and beyond the snowline dominates the earliest stages of planet formation, which therefore is subject to many laboratory studies. However, the pressure–temperature gradients in protoplanetary disks mean that the ices are constantly processed, undergoing phase changes between different solid phases and the gas phase. Open questions remain as to whether the properties of the icy particles themselves dictate collision outcomes and therefore how effectively collision experiments reproduce conditions in protoplanetary environments. Previous experiments often yielded apparently contradictory results on collision outcomes, only agreeing in a temperature dependence setting in above ≈210 K. By exploiting the unique capabilities of the NIMROD neutron scattering instrument, we characterized the bulk and surface structure of icy particles used in collision experiments, and studied how these structures alter as a function of temperature at a constant pressure of around 30 mbar. Our icy grains, formed under liquid nitrogen, undergo changes in the crystalline ice-phase, sublimation, sintering and surface pre-melting as they are heated from 103 to 247 K. An increase in the thickness of the diffuse surface layer from ≈10 to ≈30 Å (≈2.5 to 12 bilayers) proves increased molecular mobility at temperatures above ≈210 K. Because none of the other changes tie-in with the temperature trends in collisional outcomes, we conclude that the surface pre-melting phenomenon plays a key role in collision experiments at these temperatures. Consequently, the pressure–temperature environment, may have a larger influence on collision outcomes than previously thought.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Microstructural and bulk property changes in hardened cement paste during the first drying process

This paper reports the microstructural changes and resultant bulk physical property changes in hardened cement paste (hcp) during the first desorption process. The microstructural changes and solid-phase changes were evaluated by water vapor sorption, nitrogen sorption, ultrasonic velocity, and {sup 29}Si and {sup 27}Al nuclear magnetic resonance. Strength, Young's modulus, and drying shrinkage were also examined. The first drying process increased the volume of macropores and decreased the volume of mesopores and interlayer spaces. Furthermore, in the first drying process globule clusters were interconnected. During the first desorption, the strength increased for samples cured at 100% to 90% RH, decreased for 90% to 40% RH, and increased again for 40% to 11% RH. This behavior is explained by both microstructural changes in hcp and C–S–H globule densification. The drying shrinkage strains during rapid drying and slow drying were compared and the effects of the microstructural changes and evaporation were separated.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The effect of boron addition on the deformation behavior and microstructure of β-solidify TiAl alloys

Highlights: • Borides could promote the DRX formation to soften TiAl alloys. • Boron addition increases firstly and then stabilizes the deformation activate energy. • The stable region expands with boron increasing in processing maps. • The DRX critical strain increases firstly and then decreases with boron increasing. • DRX softening and strengthening from solid solution and borides influence deformation behavior. - Abstract: The effect of boron addition on the deformation behavior and microstructure of Ti-43Al-6Nb-1Mo -1Cr alloys have been studied in this paper. Boron addition would induce Ti{sub 2}Al(P6{sub 3}/mmc) phase with hexagonal structure formation on the interfaces between TiB and γ phase. TiB would be the obstacles for dislocations slipping and increase the stacking fault energy. Ti{sub 2}Al could also provide the chemical foundation for DRXed γ nucleation and disappear after thermal deformation. Both these two phase could promote DRXed grains nucleation to soften the alloys during thermal deformation. With the strengthen effect of boron solid solution and TiB obstacles, the microstructure evolution, phase transformation and deformation behavior are also discussed and concluded as follow.

36 MATERIALS SCIENCE↗