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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Phase-field modeling of crack growth and mitigation in solid oxide cells

Fracture and crack growth is one of the main degradation mechanisms in solid oxide cells (SOCs). However, the modeling of crack growth in SOCs is challenging due to their complex microstructures and possible plasticity development within the Ni particles in Ni-based SOC electrodes. In this study, a phase-field fracture model is developed, which incorporates the SOC microstructures and phase-dependent material properties, including yield strength, fracture toughness in the bulk and at the interphase boundaries. The model is employed to study crack initiation and growth under thermal and redox cycling on the hydrogen electrode side of SOCs. The simulation results demonstrate that under thermal cycling, work-zone cracking dominates in electrolyte-supported SOCs with cracks initiated at the triple-phase boundaries, while only minor mechanical degradation occurs in hydrogen-electrode-supported SOCs after hundreds of thermal cycles. Under redox cycling, through-cracking of yttria-stabilized zirconia (YSZ) in the hydrogen electrode and electrolyte layers dominates. Finally, the simulation results suggest several crack-mitigation strategies, including decreasing the porosity in the hydrogen electrode support layer and synchronizing thermal strain to balance oxidation strain.

08 HYDROGEN↗
DOE OSTI2023

Strength-conductivity synergy via lean alloy design: A study on novel solid stir extrusion of an Al-2Cu-0.1 Nb-0.15Zr (~wt.%) alloy

Aluminum alloys find wide applications in power and transmission cables, and electrical conductors due to their advantageous properties of high electrical conductivity, and lower cost per unit. However, the lower tensile strength compared to copper poses a challenge for the mechanical stability of aluminum-based cables. In this study, we addressed this issue by adopting a process-based alloy design approach, creating a lean alloy with a dilute composition of Al-2Cu-0.1 Nb-0.15Zr (~wt.%). Here, the alloy was processed using a friction stir based novel SolidStir® (SSE) technique, followed by low-temperature aging. The resulting aluminum wire exhibited improved strength (240 MPa) while simultaneously enhancing electrical conductivity (64%IACS). The study employed computational simulations (Thermocalc) and experimental techniques (differential scanning calorimetry and transmission electron microscopy) to thoroughly investigate the microstructure. Microstructural examinations revealed that the precipitation kinetics in SSE and SSE+aged conditions played a significant role in enhancing strength and electrical conductivity. These findings demonstrate the successful achievement of high strength and high electrical conductivity in aluminum wire through a lean alloy design approach.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Scalable aqueous-phase fabrication of reduced graphene oxide nanofiltration membranes by an integrated roll-to-roll (R2R) process

Economic fractionation of multicomponent biomass-derived streams is a key challenge in biobased fuels and chemicals production. Kraft black liquor (BL) is generated at ~1 billion tons/yr globally from biomass pulping and contains ~15wt% total solids including lignin, hemicellulose fragments, and inorganics. Membrane-based BL concentration is attractive but challenged by low solute rejections and poor stability in BL, which combines alkaline pH (~13), high dissolved solids content (15+ wt%) and high temperature (70–85°C). Here we discuss the scaled fabrication and characterization of reduced graphene oxide (rGO) nanofiltration membranes by slot die coating on a roll-to-roll (R2R) with integrated vacuum filtration. Here, we obtain high-quality 90×30 cm rGO membranes (referred to as “R2R-rGO membranes” in this work) with ~100 nm average thickness supported on porous poly(ethersulfone) (PES) sheets, and an effective area of 2700cm 2 . We present characterizations of their microstructure and uniformity as mapped over large areas by scanning electron microscopy (SEM), ellipsometry, adhesion test and X-ray photoelectron spectroscopy (XPS). The constructed ellipsometry model for the rGO membrane/PES substrate composite was successfully applied to 48 different locations of the R2R-rGO membranes. The R2R-rGO membranes showed >98% lignin rejection with a steady state flux of ~12 LMH at 50bar in a 15.7wt% total solids (TS) kraft BL stream at 72°C and 2–3 gal/min crossflow rates. Slot die coating on a R2R platform with integrated vacuum filtration can enable rapid fabrication of high-quality GO membranes at scale without organic solvents or volatile organic compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A duality-based coupling of Cosserat crystal plasticity and phase field theories for modeling grain refinement

High-rate deformation processes of metals entail intense grain refinement and special attention needs to be paid to capture the evolution of microstructure. In this article, a new formulation for coupling Cosserat crystal plasticity and phase field is developed. A common approach is to penalize kinematic incompatibility between lattice orientation and displacement-based elastic rotation. However, this can lead to significant solution sensitivity to the penalty parameter, resulting in low accuracy and convergence rates. To address these issues, a duality-based formulation is developed which directly imposes the rotational kinematic compatibility. A weak inf-sup-based skew-symmetric stress projection is introduced to suppress instabilities present in the dual formulation. An additional least squares stabilization is introduced to suppress the spurious lattice rotation with a suitable parameter range derived analytically and validated numerically. The required high-order continuity is attained by the reproducing kernel approximation. It is observed that equal order displacement-rotation-phase field approximations are stable, which allows efficient employment of the same set of shape functions for all independent variables. The proposed formulation is shown to yield superior accuracy and convergence with marginal parameter sensitivity compared to the penalty-based approach and successfully captures the dominant rotational recrystallization mechanism including block dislocation structures and grain boundary migration.

42 ENGINEERING↗
DOE OSTI2025

The Effect of Hydrothermal Alteration and Microcracks on Hydraulic Properties and Poroelastic Deformation: A Case Study of the Blue Mountain Geothermal Field

Abstract Geothermal energy plays a vital role in decarbonizing electricity and heat supply. Effective utilization of geothermal resources hinges on identifying or generating permeable reservoir zones and understanding how effective pressure variations affect fluid circulation and reservoir properties by poroelastic deformation. Hydrothermal alteration can modify the petrophysical properties of geothermal reservoir rocks, which may increase or decrease its productivity. Understanding these alteration effects is essential to predict and optimize long‐term sustainable geothermal operations. Here, we investigate the impact of hydrothermal alteration on poroelastic and hydraulic properties of diverse lithologies in a series of deformation tests performed at several confining (0–80 MPa) and pore pressure (10–30 MPa) levels. Experimental results of hydrothermally altered dikes and phyllites obtained from the Blue Mountain geothermal field (Nevada, USA) are compared to thermally cracked La Peyratte granite (France) and correlated with petrophysical properties, mineral composition, and microstructures. Argillic alteration of dikes increases porosity and storage capacity but lowers thermal conductivity and increases pore compressibility. Conversely, silicate precipitation in phyllites increases stiffness and thermal conductivity but also reduces porosity and permeability. Experimentally determined effective pressure coefficients range from 0.1 to 0.9, differ for permeability and volumetric strain and decrease with increasing effective pressure. The presence of compliant microcracks and crack‐like pores significantly increases the stress sensitivity of La Peyratte granite and silicified phyllites. This study demonstrates how thermal and chemical alteration impacts poromechanical and petrophysical characteristics of geothermal targets, which ultimately govern reservoir stability and subsidence, induced seismicity as well as fluid and heat extraction efficiency during geothermal operations.

Schuster, Valerian [Helmholtz Centre Potsdam GFZ G↗
DOE OSTI2023

Microstructure geometry for thermal barrier coatings to mitigate CMAS attack

Thermal barrier coatings and methods to make such coatings present improved resistance to CMAS infiltration. The method for forming a thermal barrier coating includes applying a layer of the thermal barrier coating to a component having a surface, forming a plurality of first channels in the thermal barrier coating, and forming a plurality of second channels in the thermal barrier coating. The first channels extend through a thickness of the thermal barrier coating from an interface with the surface of the component to a free surface opposite the interface. The second channels are disposed between the free surface and the interface and extending lengthwise generally parallel to the free surface of the thermal barrier coating, wherein the thermal barrier coating comprises a material comprising yttrium aluminum garnet (YAG) or yttria stabilized zirconia (YSZ).

Jordan, Eric↗
DOE OSTI2024

Supersonic hot jet ablative testing and analysis of boron nitride nanotube hybrid composites

Boron nitride nanotubes (BNNTs) are high-strength, high-modulus nanotubes with high thermal and oxidative stabilities. Two hybrid composites were prepared with satin weave carbon fiber (CF) and resole-type phenolic resin: one with surface layers of BNNTs and one with alternating interlayers of BNNTs. The samples were subjected to hot jet tests that simulate realistic high-pressure-temperature conditions to understand the behavior of BNNTs under high-pressure erosion. Adding BNNTs to CF/phenolic laminates enhanced the ablation resistance by reinforcing the char material and mitigated localized thermal damage. Hybrid laminates exhibited up to 14% lower weight loss, 55% increase in flexural modulus, higher thermal diffusivity, and improved char yield and microstructure compared to CF/phenolic samples. The surface layer hybrid had many surviving nanotubes reinforcing the char and crystalline oxide structures that could mitigate further oxygen diffusion. Further, various characterization methods were used to deduce possible mechanisms and their products, indicating that BNNTs could serve as growth templates for direct crystalline boron oxide formation. Overall, hybrid BNNT/CF/phenolic laminates displayed better ablation resistance and favorable microstructure evolution under high-pressure conditions.

42 ENGINEERING↗
DOE OSTI2024

A Quantitative Phase Analysis by Neutron Diffraction of Conventional and Advanced Aluminum Alloys Thermally Conditioned for Elevated-Temperature Applications

As the issue of climate change becomes more prevalent, engineers have focused on developing lightweight Al alloys capable of increasing the power density of powertrains. The characterization of these alloys has been focused on mechanical properties and less on the fundamental response of microstructures to achieve these properties. Therefore, this study assesses the quality of the microstructure of two high-temperature Al alloys (A356 + 3.5RE and Al-8Ce-10Mg), comparing them to T6 A356. These alloys underwent thermal conditioning at 250 and 300 °C for 200 h. Time-of-flight neutron diffraction experiments were performed before and after conditioning. The phase evolution was quantified using Rietveld refinement. It was found that the Si phase grows significantly (13–24%) in T6 A356, A356 + 3.5RE, and T6 A356 + 3.5RE alloys, which is typically correlated with a reduction in mechanical properties. Subjecting the A356 3.5RE alloy to a T6 heat treatment stabilizes the orthorhombic Al4Ce3Si6 and monoclinic β-Al5FeSi phases, making them resistant to thermal conditioning. These two phases are known for enhancing mechanical properties. Additionally, the T6 treatment reduced the vol.% of the cubic Al20CeTi2 and hexagonal ᴨ-Al9FeSi3Mg5 phases by 13% and 23%, respectively. These phases have detrimental mechanical properties. The Al-8Ce-10Mg alloy cubic β-Al3Mg2 phase showed significant growth (82–101%) in response to conditioning, while the orthorhombic Al11Ce3 phase remained stable. The growth of the beta phase is known to decrease the mechanical properties of this alloy. These efforts give valuable insight into how these alloys will perform and evolve in demanding high-temperature environments.

Chemistry↗
DOE OSTI2022

Direct Ink Writing of 3D Zn Structures as High‐Capacity Anodes for Rechargeable Alkaline Batteries

The relationship between structure and performance in alkaline Zn batteries is undeniable, where anode utilization, dendrite formation, shape change, and passivation issues are all addressable through anode morphology. While tailoring 3D hosts can improve the electrode performance, these practices are inherently limited by scaffolds that increase the mass or volume. Herein, a direct write strategy for producing template‐free metallic 3D Zn electrode architectures is discussed. Concentrated inks are customized to build designs with low electrical resistivity (5 × 10 −4 Ω cm), submillimeter sizes (200 μm filaments), and high mechanical stability (Young's modulus of 0.1–0.5 GPa at relative densities of 0.28–0.46). A printed Zn lattice anode versus NiOOH cathode with an alkaline polymer gel electrolyte is then demonstrated. This Zn||NiOOH cell operates for over 650 cycles at high rates of 25 mA cm −2 with an average areal capacity of 11.89 mAh cm −2 , a cumulative capacity of 7.8 Ah cm −2 , and a volumetric capacity of 23.78 mAh cm −3 . A thicker Zn anode achieves an ultrahigh areal capacity of 85.45 mAh cm −2 and a volumetric capacity of 81.45 mAh cm −3 without significant microstructural changes after 50 cycles.

25 ENERGY STORAGE↗
DOE OSTI2022

New large-strain FFT-based formulation and its application to model strain localization in nano-metallic laminates and other strongly anisotropic crystalline materials

This paper presents a new robust large-strain (LS) elasto-viscoplastic (EVP) formulation based on Fast Fourier Transforms (FFTs) for the prediction of the micro-mechanical response and microstructure evolution of polycrystalline and multiphase materials, with emphasis on the effect of strong crystallographic and/or morphologic anisotropy on localization of plastic deformation. In this work, the novel LS-EVPFFT formulation allows treatment of complex initial geometries and large deformations considering three grids of material points: a regular grid in the reference configuration, where FFTs can be performed; an irregular grid in the initial configuration, created by applying a stress-free displacement field to the reference regular grid; and an irregular grid in the current configuration, undergoing large strains and rotations as the material is loaded. Further numerical stability of the new formulation also required the use of a novel expression for the discrete modified Green’s operator, which reduces spurious field oscillations. After presenting and validating the new formulation by comparison with preexisting implementations and analytical solutions, LS-EVPFFT is applied to the prediction of slip and kink bands formation in polycrystalline columnar ice, and kink bands in single crystal zinc wires, showing good agreement with classic experiments. Finally, the model is used to study kink band formation during compression of Cu–Nb nano-metallic laminates (NMLs), in which accurate treatment of the complex geometry associated with the tortuosity of interfaces and large deformations become critical, showing consistency with corresponding micropillar experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Recycled polyethylene and crumb rubber composites modified asphalt with improved aging resistance and thermal stability

Crumb rubbers (CR) and recycled Polyethylene (PE) are commonly used as modifiers to improve the asphalt properties. However, the addition of these modifiers individually may result in phase separation of PE and inadequate degradation of CR, which may not simultaneously satisfy the rheological and aging resistance of the binder blends. In this study, a type of CR/PE composites manufactured through melt extrusion procedures was adopted for the improvement of the modified binder blends. The modified binder blends after short-term (RTFO) and long-term (PAV) aging were collected for dynamic shear rheometer and bending beam rheometer tests. FTIR tests were also used to quantify the aging resistance, while differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) were applied to evaluate the thermal behaviors of the binder blends. Optical microscopy tests were used to explore the modification mechanism and visualize the microstructures of original and PAV aged binder blends. Test results showed that CR/PE composites could significantly improve the aging resistance of the binder blends. The dispersed PE particles still interacted with each other and meanwhile worked with the diffused rubbery phase, which could form a similar TPEs network. The oxidation and high-temperature aging of such binder blends would strengthen the network that resisted the aging severity of the binder blends. Furthermore, it was also revealed that CR/PE modified asphalt could sustain more heat before a rapid degradation and the well-dispersed PE particles could interact with the diffused CR particles to form a network to resist aging.

02 PETROLEUM↗
DOE OSTI2023

The Addition of Boron to Melt-Spun Fe-6.5%Si Ribbons

Fe-6.5%Si has higher electrical resistivity, lower magnetocrystalline anisotropy, and lower magnetostriction than traditional Fe-3.2%Si silicon steel. The reduced iron losses of Fe-6.5%Si render it a highly favorable candidate for high-speed motors and transformers. However, large-scale production of wide Fe-6.5%Si tape by rapid solidification can be challenging mainly because of its high melting point. In this work, boron is alloyed to Fe-6.5%Si to reduce its melting temperature and interfacial energy to improve the alloy’s processability. Boron additions from 0.01 wt.% to 2.24 wt.% into Fe-6.5%Si and its effect on ribbon thickness, grain size, magnetic, and mechanical properties were studied. Further, minor boron alloying significantly changed the melt pool stability and wetting on the quench wheel and in turn increased the quench rate with minimum impact on the magnetic saturation and ductility. Boron addition of < 0.06 wt.% was also found beneficial to the magnetic property of the alloy by lowering both its hysteresis and eddy current losses.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Oxygen redox and instability in energy ceramics

Energy ceramics, including solid electrolytes and catalysts for high-temperature fuel/electrolysis cells and oxide cathodes for batteries, often experience harsh chemical and electrochemical conditions. Practical and new applications require that these devices are operated under ever more extreme redox conditions for higher energy density and power density. This challenges the stability of the energy ceramic materials and calls for a better understanding of the degradation mechanisms and innovative strategies for degradation mitigation. Here we present our analysis and perspectives on degradation phenomena in three categories of electrochemical devices of practical interest, including solid oxide fuel/electrolysis cells, protonic ceramic fuel/electrolysis cells, and lithium-ion batteries. We also discuss the stability/degradation of the key ceramic components from the view of oxygen redox and instability arising from anodic bias, transport limitation, and coupled electro-chemo-mechanics at the virtual and physical interfaces. We hope these perspectives provide design principles for electroceramic chemistry, microstructure, and processing.

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

Hydrogen Storage Performance of Preferentially Oriented Mg/rGO Hybrids

Chemical interactions on the surface of a functional nanoparticle are closely related to its crystal facets, which can regulate the corresponding energy storage properties like hydrogen absorption. In this study, we reported a one-step growth of magnesium (Mg) particles with both close- and nonclose-packed facets, that is, {0001} and {$2\overline{116}$} planes, on atomically thin reduced graphene oxide (rGO). The detailed microstructures of Mg/rGO hybrids were revealed by X-ray diffraction, selected-area electron diffraction, high-resolution transmission electron microscopy, and fast Fourier transform analysis. Hydrogen storage performance of Mg/rGO hybrids with different orientations varies: Mg with preferential high-index {$2\overline{116}$} crystal surface shows remarkably increased hydrogen absorption up to 6.2 wt % compared with the system exposing no preferentially oriented crystal surfaces showing inferior performance of 5.1 wt % within the first 2 h. First-principles calculations revealed improved hydrogen sorption properties on the {$2\overline{116}$} surface with a lower hydrogen dissociation energy barrier and higher stability of hydrogen atoms than those on the {0001} basal plane, supporting the hydrogen uptake experiment. In addition, the hydrogen penetration energy barrier is found to be much lower than that of {0001} because of low surface atom packing density, which might be the most critical process to the hydrogenation kinetics. Here, the experimental and calculation results present a new handle for regulating the hydrogen storage of metal hydrides by controlled Mg facets.

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

Synthesis of nickel selenide thin films for high performance all-solid-state asymmetric supercapacitors

As a significant semiconductor, nickel selenide shows enormous potential and extensive application prospects in the field of sensor, photocatalysis and supercapacitor. In this paper, nickel selenide (Ni 3 Se 2 , NiSe) thin films were successfully fabricated on stainless-steel sheet using a facile, effective electrodeposition technique. The morphologies, microstructures and chemical compositions of the thin films are characterized systematically. Electrochemical tests exhibit that the Ni3Se2 and NiSe possess high specific capacitance of 581.1 F/g and 1644.7 F/g, respectively. A flexible, all-solid-state asymmetric supercapacitor is assembled by utilizing NiSe film as positive electrode and activated carbon as negative electrode. The solid device delivers a high areal capacitance of 27.0 mF/cm 2 at the current density of 0.7 mA/cm 2 . Furthermore, the maximum volumetric energy density and power density of the NiSe//AC asymmetric SCs can achieve 0.26 mWh/cm 3 and 33.35 mW/cm 3 , respectively. The device shows robust cycling stability with 84.6% capacitance retention after 10000 cycles, outstanding flexibility and satisfactory mechanical stability. Moreover, two devices in series can light up a red light-emitting diode, which displayed great potential applications for energy storage.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Properties of Nb x Ti (1–x) N thin films deposited on 300 mm silicon wafers for upscaling superconducting digital circuits

Scaling superconducting digital circuits requires fundamental changes in the current material set and fabrication process. The transition to 300 mm wafers and the implementation of advanced lithography are instrumental in facilitating mature CMOS processes, ensuring uniformity, and optimizing the yield. Here, this study explores the properties of Nb x Ti (1–x) N films fabricated by magnetron DC sputtering on 300 mm Si wafers. As a promising alternative to traditional Nb in device manufacturing, Nb x Ti (1–x) N offers numerous advantages, including enhanced stability and scalability to smaller dimensions, in both processing and design. As a ternary material, Nb x Ti (1–x) N allows engineering material parameters by changing deposition conditions. The engineered properties can be used to modulate device parameters through the stack and mitigate failure modes. We report characterization of Nb x Ti (1–x) N films at less than 2% thickness variability, 2.4% T c variability and 3% composition variability. Film resistivity (140–375 Ωcm) shows a strong correlation with the film oxygen content, while the critical temperature T c (4.6 K–14.1 K) is strongly affected by film stoichiometry and its microstructure has only a moderate effect on modifying T c . Our results offer insights about the interplay between film stoichiometry, film microstructure and critical temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Impact of high-power impulse magnetron sputtering pulse width on the nucleation, crystallization, microstructure, and ferroelectric properties of hafnium oxide thin films

The impact of the high-power impulse magnetron sputtering (HiPIMS) pulse width on the crystallization, microstructure, and ferroelectric properties of undoped HfO 2 films is investigated. HfO 2 films were sputtered from a hafnium metal target in an Ar/O 2 atmosphere, varying the instantaneous power density by changing the HiPIMS pulse width with fixed time-averaged power and pulse frequency. The pulse width is shown to affect the ion-to-neutral ratio in the depositing species with the shortest pulse durations leading to the highest ion fraction. In situ x-ray diffraction measurements during crystallization demonstrate that the HiPIMS pulse width impacts nucleation and phase formation, with an intermediate pulse width of 110 μ s stabilizing the ferroelectric phase over the widest temperature range. Although the pulse width impacts the grain size with the lowest pulse width resulting in the largest grain size, the grain size does not strongly correlate with the phase content or ferroelectric behavior in these films. In conclusion, these results suggest that precise control over the energetics of the depositing species may be beneficial for forming the ferroelectric phase in this material.

36 MATERIALS SCIENCE↗