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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Signatures of the unique microstructure of additively manufactured steel observed via diffraction

A series of measurements were designed to gain confidence in the interpretation of the peak breadth in diffraction patterns collected from additively manufactured material, which has a novel microstructure in comparison to the well understood microstructure of wrought materials. Stainless steels made with two additive manufacturing techniques were compared to wrought material. Similar patterns observed in the scattering vector dependence for additively manufactured and deformed wrought materials suggested that the broadening in both materials was related to dislocations. Finally, this was confirmed by heat-treatment, during which both materials exhibited recovery due to the annealing of dislocations at the same temperature.

304L stainless-steel↗
NASA NTRS1994

Infinite possibilities: Computational structures technology

Computational Fluid Dynamics (or CFD) methods are very familiar to the research community. Even the general public has had some exposure to CFD images, primarily through the news media. However, very little attention has been paid to CST--Computational Structures Technology. Yet, no important design can be completed without it. During the first half of this century, researchers only dreamed of designing and building structures on a computer. Today their dreams have become practical realities as computational methods are used in all phases of design, fabrication and testing of engineering systems. Increasingly complex structures can now be built in even shorter periods of time. Over the past four decades, computer technology has been developing, and early finite element methods have grown from small in-house programs to numerous commercial software programs. When coupled with advanced computing systems, they help engineers make dramatic leaps in designing and testing concepts. The goals of CST include: predicting how a structure will behave under actual operating conditions; designing and complementing other experiments conducted on a structure; investigating microstructural damage or chaotic, unpredictable behavior; helping material developers in improving material systems; and being a useful tool in design systems optimization and sensitivity techniques. Applying CST to a structure problem requires five steps: (1) observe the specific problem; (2) develop a computational model for numerical simulation; (3) develop and assemble software and hardware for running the codes; (4) post-process and interpret the results; and (5) use the model to analyze and design the actual structure. Researchers in both industry and academia continue to make significant contributions to advance this technology with improvements in software, collaborative computing environments and supercomputing systems. As these environments and systems evolve, computational structures technology will evolve. By using CST in the design and operation of future structures systems, engineers will have a better understanding of how a system responds and lasts, more cost-effective methods of designing and testing models, and improved productivity. For informational and educational purposes, a videotape is being produced using both static and dynamic images from research institutions, software and hardware companies, private individuals, and historical photographs and drawings. The extensive number of CST resources indicates its widespread use. Applications run the gamut from simpler university-simulated problems to those requiring solutions on supercomputers. In some cases, an image or an animation will be mapped onto the actual structure to show the relevance of the computer model to the structure. Transferring the digital files to videotape presents a number of problems related to maintaining the quality of the original image, while still producing a broadcast quality videotape. Since researchers normally do not create a computer image using traditional composition theories or video production requirements, often the image loses some of its original digital quality and impact when transferred to videotape. Although many CST images are currently available, those that are edited into the final project must meet two important criteria: they must complement the narration, and they must be broadcast quality when recorded on videotape.

Beam, Sherilee F.↗
DOE OSTI2015

Microstructure and mesh sensitivities of mesoscale surrogate driving force measures for transgranular fatigue cracks in polycrystals

The number of cycles required to form and grow microstructurally small fatigue cracks in metals exhibits substantial variability, particularly for low applied strain amplitudes. This variability is commonly attributed to the heterogeneity of cyclic plastic deformation within the microstructure, and presents a challenge to minimum life design of fatigue resistant components. Our paper analyzes sources of variability that contribute to the driving force of transgranular fatigue cracks within nucleant grains. We also employ crystal plasticity finite element simulations that explicitly render the polycrystalline microstructure and Fatigue Indicator Parameters (FIPs) averaged over different volume sizes and shapes relative to the anticipated fatigue damage process zone. Volume averaging is necessary to both achieve description of a finite fatigue damage process zone and to regularize mesh dependence in simulations. Furthermore, results from constant amplitude remote applied straining are characterized in terms of the extreme value distributions of volume averaged FIPs. Grain averaged FIP values effectively mitigate mesh sensitivity, but they smear out variability within grains. Furthermore, volume averaging over bands that encompass critical transgranular slip planes appear to present the most attractive approach to mitigate mesh sensitivity while preserving variability within grains.

36 MATERIALS SCIENCE↗
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.↗
DOE OSTI2023

Role of aggregates and microstructure of mixed-ionic–electronic-conductors on charge transport in electrochemical transistors

Synthetic efforts have delivered a library of organic mixed ionic–electronic conductors (OMIECs) with high performance in electrochemical transistors. The most promising materials are redox-active conjugated polymers with hydrophilic side chains that reach high transconductances in aqueous electrolytes due to volumetric electrochemical charging. Current approaches to improve transconductance and device stability focus mostly on materials chemistry including backbone and side chain design. However, other parameters such as the initial microstructure and microstructural rearrangements during electrochemical charging are equally important and are influenced by backbone and side chain chemistry. In this study, we employ a polymer system to investigate the fundamental electrochemical charging mechanisms of OMIECs. We couple in situ electronic charge transport measurements and spectroelectrochemistry with ex situ X-ray scattering electrochemical charging experiments and find that polymer chains planarize during electrochemical charging. Our work shows that the most effective conductivity modulation is related to electrochemical accessibility of well-ordered, interconnected aggregates that host high mobility electronic charge carriers. Electrochemical stress cycling induces microstructural changes, but we find that these aggregates can largely maintain order, providing insights on the structural stability and reversibility of electrochemical charging in these systems. Finally, this work shows the importance of material design for creating OMIECs that undergo structural rearrangements to accommodate ions and electronic charge carriers during which percolating networks are formed for efficient electronic charge transport.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of stored strain energy heterogeneity on microstructure evolution of 90% cold rolled AISI 304L stainless steel during interrupted annealing treatment

Highlights: • Study of usefulness of stored strain energy distribution map of the material for variable temperature range. • Advantage of using stored strain energy distribution map • Variation observed in stored energy between isothermal annealing treatment and interrupted annealing treatment. - Abstract: This research work is an attempt to understand the effect of stored strain energy heterogeneity over macro-scale, induced during interrupted annealing treatment, on the micro structural evolution in a heavily cold rolled AISI 304L austenitic stainless steel. The cold rolled AISI 304L stainless steel (SS) samples were subjected to different annealing treatments. The microstructures obtained after each annealing treatment were characterized using optical and electron microscopy techniques. Further, an attempt was made to estimate the stored strain energy by a novel approach of micro hardness measurement both over small scale (area 3600 μm{sup 2}) and large scale (area ~0.25 mm{sup 2}). The stored strain energy was determined using hardness values. Using these data, spatial stored strain energy distribution contour maps were created. They were, in turn, used to characterize the local softening behavior both at micro and macro-scale levels after each interrupted annealing treatment. The results showed that, interrupted annealing treatment induces increased stored strain energy heterogeneity after each annealing interruptions. Also, it was possible to determine recrystallization kinetics of the material using stored strain energy map, which helps in designing annealing cycles for achieving ultrafine grained microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2015

2014 Accomplishments-Tritium aging studies on stainless steel: Fracture toughness properties of forged stainless steels-Effect of hydrogen, forging strain rate, and forging temperature

Forged stainless steels are used as the materials of construction for tritium reservoirs. During service, tritium diffuses into the reservoir walls and radioactively decays to helium-3. Tritium and decay helium cause a higher propensity for cracking which could lead to a tritium leak or delayed failure of a tritium reservoir. The factors that affect the tendency for crack formation and propagation include: Environment; steel type and microstructure; and, vessel configuration (geometry, pressure, residual stress). Fracture toughness properties are needed for evaluating the long-term effects of tritium on their structural properties. Until now, these effects have been characterized by measuring the effects of tritium on the tensile and fracture toughness properties of specimens fabricated from experimental forgings in the form of forward-extruded cylinders. A key result of those studies is that the long-term cracking resistance of stainless steels in tritium service depends greatly on the interaction between decay helium and the steels’ forged microstructure. New experimental research programs are underway and are designed to measure tritium and decay helium effects on the cracking properties of stainless steels using actual tritium reservoir forgings instead of the experimental forgings of past programs. The properties measured should be more representative of actual reservoir properties because the microstructure of the specimens tested will be more like that of the tritium reservoirs. The programs are designed to measure the effects of key forging variables on tritium compatibility and include three stainless steels, multiple yield strengths, and four different forging processes. The effects on fracture toughness of hydrogen and crack orientation were measured for type 316L forgings. In addition, hydrogen effects on toughness were measured for Type 304L block forgings having two different yield strengths. Finally, fracture toughness properties of type 304L stainless steel were measured for four different forging strain rates which and two forging temperatures. Tritium exposures have been and are being conducted on companion specimens for property measurements in the upcoming years.

36 MATERIALS SCIENCE↗
NASA NTRS2013

Advances in SiC/SiC Composites for Aero-Propulsion

In the last decade, considerable progress has been made in the development and application of ceramic matrix composites consisting of silicon carbide (SiC) based matrices reinforced by small-diameter continuous-length SiC-based fibers. For example, these SiC/SiC composites are now in the early stages of implementation into hot-section components of civil aero-propulsion gas turbine engines, where in comparison to current metallic components they offer multiple advantages due to their lighter weight and higher temperature structural capability. For current production-ready SiC/SiC, this temperature capability for long time structural applications is ~1250 degC, which is better than ~1100 degC for the best metallic superalloys. Foreseeing that even higher structural reliability and temperature capability would continue to increase the advantages of SiC/SiC composites, progress in recent years has also been made at NASA toward improving the properties of SiC/SiC composites by optimizing the various constituent materials and geometries within composite microstructures. The primary objective of this chapter is to detail this latter progress, both fundamentally and practically, with particular emphasis on recent advancements in the materials and processes for the fiber, fiber coating, fiber architecture, and matrix, and in the design methods for incorporating these constituents into SiC/SiC microstructures with improved thermo-structural performance.

DiCarlo, James A.↗
DOE OSTI2025

High Strength and Fracture Resistance of Reduced-Activity W-Ta-Ti-V-Zr High-Entropy Alloy for Fusion Energy Applications

Refractory high-entropy alloys (HEAs) are promising candidates for next-generation nuclear applications, particularly fusion reactors, due to their excellent high-temperature mechanical properties and irradiation resistance. Here, the microstructure and mechanical behavior were investigated for an equimolar WTaTiVZr HEA, designed from a palette of low-activation elements. The as-cast alloy exhibited a dendritic microstructure composed of W-Ta rich dendrites and Zr-Ti-V rich inter-dendritic regions, both possessing a body-centered cubic (BCC) crystal structure. Room temperature bulk compression tests showed ultra-high strength of around 1.6 GPa and plastic strain ~6%, with fracture surfaces showing cleavage facets. The alloy also demonstrated excellent high-temperature strength of ~650 MPa at 500 °C. Scratch-based fracture toughness was ~38 MPa√m for the as-cast WTaTiVZr HEA compared to ~25 MPa√m for commercially used pure tungsten. This higher value of fracture toughness indicates superior damage tolerance relative to commercially used pure tungsten. These results highlight the alloy’s potential as a low-activation structural material for high-temperature plasma-facing components (PFCs) in fusion reactors.

Physics↗
DOE OSTI2013

A Review of Tungsten Heavy Alloy Utilization in Isotope Transport Containers - 13380

A common requirement for radioisotope transport containers is that they provide both durable and efficient shielding of penetrating gamma radiation. This is the case for transport of both spent nuclear fuel as well as intentionally created radioisotopes for medical or other uses. Tungsten heavy alloy (WHA) provides a unique engineering property set for such shielding - easily surpassing more commonly used lead alloys in both strength and attenuation. This family of alloys contains typically 90-98 wt.% W in combination with transition metals such as Ni and Fe. WHA is manufactured in near net shape blanks by liquid phase sintering of compacted powder shapes to full metallurgical density parts. This powder metallurgy approach is described in its ability to provide excellent material utilization and affords efficient manufacturing of various shapes required for gamma shields or collimators. WHAs offer very high density (approaching 19 g/cc) in combination with relatively high thermal conductivity, low thermal expansion, ambient corrosion resistance, and can be provided with mechanical properties comparable to many medium carbon steels. As such, they can be machined to complex, damage resistant geometries using common metal cutting tools and methods. WHA additionally provides a lower toxicity alternative to Pb- or U-based gamma shielding. Given the specialty nature of WHA, specific metallurgical characteristics are reviewed to assist shielding designers who may otherwise encounter difficulties locating important alloy selection and fabrication details. Contained within this materials and applications overview are guidelines for WHA component design, alloy selection, and practical machining, finishing, and assembly considerations. The microstructure of WHA is that of a metal matrix composite. This factor has specific implications in the design of components for stress service as well as their protection in the presence of electrolytes. WHA is also discussed in the broader context of materials compatibility, as it is rarely used in isolated monolithic shapes. Alloy selection for new applications is often made primarily on the basis of density. An alternative strategy to this selection approach is presented which proposes that mechanical requirements for a given shielding use be the primary selection criterion over density. Standard commercial grades of WHA for radiation shielding are defined by specifications such as AMS-T-21014 and ASTM B777. These specifications define 4 density classes of as-sintered WHA. Compositional options, as well as post-sinter processing of WHA, are discussed for shielding components that must exhibit higher levels of ductility or very low magnetic permeability. In addition to the mechanical advantages over Pb-based shielding, the higher linear attenuation of energetic photons for various grades of WHA (as calculated by the NIST XCOM routine) are presented for selected photon energies of interest to illustrate the shield volume reduction generally possible through the use of tungsten-based shielding. While W provides inefficient attenuation of neutrons in a mixed radiation environment, its secondary role in shielding gamma radiation produced as a result of neutron capture is also described. (authors)

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

Hot Deformation Characteristics and Processing Map of FV520B Martensitic Precipitation-Hardened Stainless Steel

Hot deformation characteristics of FV520B martensitic precipitation-hardened stainless steel were investigated in the temperature range of 850-1150 °C and strain rate range of 0.005-0.5 s{sup −1} with true strain 0.8 by using Gleeble-3500 thermo-mechanical simulator. Critical stress and corresponding critical strain for dynamic recrystallization initiation were calculated. The constitutive equation was developed by employing Arrhenius constitutive model to represent the nonlinear relationship of true stress and deformation parameters including temperature, strain rate and strain. The correlation coefficient and average absolute relative error are 0.9979 and 2.225%, which indicates the good predictive accuracy of the established constitutive equations. Processing maps were constructed at different plastic strains levels based on dynamic material model (DMM) and established constitutive equation. Combining the processing map with microstructure, the optimum region for good workability is designated as the temperature range of 1050-1125 °C and strain rate range of 0.027-0.23 s{sup −1} with peak efficiency of 0.32. Homogeneous fine and equiaxed dynamic recrystallization (DRX) grains can be found in this optimum according to the microstructure metallographic pictures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Rational Design of Hierarchically Open-Porous Spherical Hybrid Architectures for Lithium Ion Batteries

Controlling the internal microstructure and overall morphology of building blocks used to form hybrid materials is crucial for the realization of deterministically designed architectures with desirable properties. Here, we demonstrate an integrative spray-frozen (SF) assembly for forming hierarchically structured open-porous microspheres (hpMSs) composed of Fe 3 O 4 and reduced graphene oxide (rGO). The SF process drives the formation of a radially-aligned microstructure within the sprayed colloidal droplets and also controls the overall microsphere morphology. The Fe 3 O 4 /rGO hpMSs contain interconnected open-pores and spherical morphology, which, when used as a lithium-ion battery anode, enables then to provide gravimetric and volumetric capacities of 1069.7 mAh g -1 and 686.7 mAh cm -3 , much greater than those of samples with similar composition and different morphologies. The hpMSs have good rate and cycling performances, retaining 78.5% from 100 to 1000 mA g -1 and 74.6% over 300 cycles. Using in-situ synchrotron x-ray absorption spectroscopy, the reaction pathway and phase evolution of the hpMSs are monitored observing the very small domain size and highly disordered nature of Fe x O y . Here, the reduced capacity fading relative to other conversion systems is due to the good electrical contact between the pulverized Fe x O y particles and rGO, the overall structural integrity of the hpMSs, and interconnected openporosity.

25 ENERGY STORAGE↗
DOE OSTI2018

Fundamental Understanding of Creep-Fatigue Interactions in 9Cr-1MoV Steel Welds. Final Report

Ferritic-martensitic steels constitute a vital class of materials for current and future generation of nuclear reactors as well as ultra supercritical coal fired power plants due to their superior creep resistant properties. One particular ferritic-martensitic steel, 9Cr-1MoV (Grade 91) is one of five materials approved for high temperature use in nuclear service by the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC). Grade 91 is also a candidate material for proposed fission and fusion reactors such as the sodium cooled fast reactor (SFR). In service, Grade 91 components can be subjected to elevated temperatures and cyclic stresses, leading to the accumulation of creep-fatigue (CF) damage. While the monotonic creep properties of Grade 91 steels have been studied extensively, there is less knowledge concerning the mechanisms governing CF damage of this steel in the creep-dominated failure region. Moreover, the creep failure is especially pronounced in welded Grade 91 components, which are commonly joined using conventional arc welding techniques such as flux-cored arc welding (FCAW). In a Grade 91 weld, the creep failure typically occurs in the outer region of the heat affected zone (HAZ), specifically in the intercritical or fine-grained heat-affected zone (ICHAZ or FGHAZ), a phenomenon known as type IV failure. Currently, there exists a limited knowledge of CF damage mechanisms in Grade 91 welds. Improving the mechanistic understanding of the CF damage and failure of Grade 91 steel and its welds with inhomogeneous microstructure is crucial for the safety and design of key structural components in advanced, high-temperature reactors. The overall objectives of the project were to advance the state of knowledge and understanding of CF damage in both Grade 91 base metal and its welds, especially under loading conditions where creep is the dominant damage mechanism. Uncovering the mechanisms governing the creep-fatigue deformation and damage in Grade 91 base metal in creep-dominated region as well as type IV failure in Grade 91 welds contributes to a new knowledge that may lead to more accurate life prediction models than those currently in use. Moreover, the superior CF properties obtained by low heat input welding has a high potential to develop practical solutions to the premature failure of Grade 91 weld.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Mechanical Properties of Nuclear Fuel Surrogates using Picosecond Laser Ultrasonics

Detailed understanding between microstructure evolution and mechanical properties is important for designing new high burnup nuclear fuels. In this presentation we discuss the use of picosecond ultrasonics to measure localize changes in mechanical properties of fuel surrogates. We develop measurement techniques that can be applied to investigate heterogeneous elastic properties caused by localize changes in chemistry, grain microstructure caused by recrystallization, and mechanical properties of small samples prepared using focused ion beam sample preparation. Emphasis is placed on understanding the relationship between microstructure and mechanical properties

25 ENERGY STORAGE↗
DOE OSTI2023

Graded microstructure and mechanical properties of spark plasma sintered Fe-Cr alloys

Developing graded microstructure and mechanical properties is critical for accelerating the design and optimization of structural materials for a wide range of applications. Here, in this study, Fe-Cr alloys were fabricated by spark plasma sintering (SPS) technique. The microstructure, microhardness, and tensile properties of the as-fabricated and thermally annealed variants were investigated. Graded grain structures were created in the as-fabricated cylinders along both axial and radial directions. Grain size was gradually reduced from the sample periphery to the center. Microhardness measurements reveal a gradual decrease of hardness towards the periphery of the samples. The as-fabricated Fe-Cr alloys show a desired combination of tensile strength and elongation, primarily due to the formation of a high density of oxides, voids, dislocations, and grain boundaries. After in-situ thermal annealing at 600 °C under 60 MPa for 2 h using SPS, the Fe-Cr alloys underwent minimal grain growth, and the graded grain structures were retained. The hardness was more uniformly distributed in the annealed variants, and the tensile strength was reduced with an increase in the total elongation, which is attributed to the dissolution of nano-sized oxide particles and the relief of the residual stress. This study demonstrates that SPS coupled with subsequent heat treatment can tailor the graded microstructure and control the mechanical properties of Fe-Cr alloys, showing potential applications in other alloy systems.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Design of heterogeneous structured Al alloys with wide processing window for laser-powder bed fusion additive manufacturing

Required microstructural attributes of an alloy vary with structural applications. The microstructural fine-tuning capability of laser-powder bed fusion (L-PBF) additive manufacturing (AM) enables application specific manufacture of the components. Such manufacture with L-PBF AM requires alloys that exhibit wide processing window and are amenable to multiple deformation mechanisms. However, high hot cracking susceptibility of Al alloys poses a barrier to such printability-performance synergy. In this work we show that an integration of, a) grain refinement through heterogeneous nucleation, and b) eutectic solidification, leads to crack-free parts at wide range of process parameters, microstructural heterogeneity, and hierarchy in the Al-Ni-Ti-Zr alloy. Such an integration targets hot cracking at multiple stages of solidification in L-PBF as opposed to the contemporary alloy design strategies that target hot-cracking at only specific stages of solidification. The Al-Ni-Ti-Zr alloy exhibits excellent printability and a high as-built tensile performance. Due to the wide processing window and amenability to multiple deformation mechanisms, the alloy microstructure and subsequently the performance, can be fine-tuned. Here, such strategy opens the gateway for application-specific manufacture of Al alloys with L-PBF AM and establishes a fundamental shift in current methodologies for design of these alloys for L-PBF AM.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Hydride Microstructure at the Metal-Oxide Interface of a Zircaloy-4 Fuel Clad from the H.B. Robinson Nuclear Reactor

During nuclear reactor operation, some of the hydrogen that is produced by the water side corrosion is uptaken by cladding. When the uptaken hydrogen content exceeds its solubility limit in the cladding at a specific temperature, it precipitates as hydride particles in the cladding. This process occurs immediately at the metal-oxide interface forming a hydride rim because of the temperature gradient in the cladding. The presence of hydride rim and its microstructure severely reduces the cladding strength and can induce crack initiation and propagation during design basis accidents, transportation, and wet/dry storage. Because hydrides platelets are one of the potent crack initiation sites, microstructural characterization of hydride rim becomes essential to the safe operation of nuclear reactor and spent nuclear fuel retrievability. Therefore, we investigate the hydride rim microstructure at the metal oxide interface using scanning transmission electron microscopy (S/TEM) with Energy Dispersive X-ray Spectroscopy (EDS) that allows for the microstructural and local chemistry characterization of hydride precipitates to be determined, and enables a relationship to be derived on how the precipitate sites are affected by the oxide and their complex stacking behavior of the precipitates.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Optimal Microstructure of Silicon Monoxide as the Anode for Lithium-Ion Batteries

Because of its metastable nature, silicon monoxide (SiO) consists of Si nanodomains in an amorphous matrix of SiO 2 . The microstructure of SiO, including SiO 2 , Si domains, and interphase (SiO x ) between domains, was modified via an annealing treatment in argon gas and thoroughly characterized by in-situ and ex-situ X-ray diffraction, pair distribution function, and electron energy loss spectroscopy. Two microstructure transformation routes were observed during the annealing process: (1) at a temperature of <800 °C, the annealing treatment was found to affect mainly the structural conformation of the amorphous SiO 2 matrix and the interphase, while (2) an annealing temperature of >800 °C led to significant Si nanodomain growth. Here, we found that the microstructure has a great impact on the electrochemical performance of SiO. The optimized microstructure of SiO appears to be achieved through annealing treatment at 800 °C or less, which results in interphase (SiO x ) reduction without causing significant Si domain growth. This work provides a deep insight into the domain and interphase transformation of SiO upon heat treatment. The improved understanding of the relationship between SiO microstructure and its electrochemical behavior will enable proper design and development of high-energy SiO for lithium-ion batteries.

25 ENERGY STORAGE↗