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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Characterization of compositional variation and solidification condition on rapid solidification behavior of beta stabilized titanium

Rapid solidification (RS) is a field of study that has increased in importance due to the rise of additive manufacturing (AM) techniques. The breakdown of equilibrium at the solid-liquid interface results in an inability to use traditional solidification models that have been applied to great success in casting. As such, there is a current need for a high-throughput testing method to screen alloys at rapid solidification conditions without the significant cost for powder atomization. In this work, twin hammer splat quenching (SQ) is utilized and theoretically developed as a technique uniquely placed to test alloy systems for AM applications. Using analytical thermal spray models and numerical heat transfer simulations, the cooling rate and solidification conditions of splat quenching are compared across several parameters to evaluate the key parameters for generating cooling rates relevant to AM process. Once a framework for the cooling rates and relevancy of SQ are developed, SQ was used to process alloy compositions in the Ti5553 alloy space (AMS 7026) to study the formation of detrimental secondary phases occurring upon rapid quenching from the melt. A martensitic phase is found to occur at the lower end of the standard, but the composition listed in the standard were found to be safe. Finally, the rapid solidification behavior of Ti-5553 is evaluated by comparing splat quenching, laser welding, and plasma atomization that offer a wide window of solidification conditions. The segregation and solidification structure are analyzed and compared to models to provide a deeper understanding of the solidification behavior of beta stabilized titanium alloys.

Williamson, Christopher J.↗
DOE OSTI2024

Comparison of Gas Phase Fragmentation Behaviors of Nuclear Fuel Cycle Ligands in Lanthanide and Americium Metal Ligand Nitrate Clusters

Introduction (120 words): Transport of metal ions across the aqueous-organic phase boundary is an essential step in a hydrometallurgical nuclear fuel reprocessing strategy. The study of transport agents for nuclear fuel elements is imperative to guide the design of ligands that boost the separation efficiency of the recovery process from fission products. However, limited studies have been made on the chemistry of these transport agents when complexing with transuranic elements in gas-phase where all surrounding factors are essentially excluded. This work investigates the reagent ligand complexations to transuranic and other metals and their dissociations in the gas phase. Comparisons are made between 4f and 5f elements and between ligands. Methods (120 words): (N,N-diisobutylcarbamoylmethyl)phenyloctylphosphine oxide (CMPO) and N,N,N',N'-tetraoctyldiglycolamide (TODGA) have been selected to complex with metal nitrates. The actinide americium and lanthanides neodymium, samarium, and europium were investigated as part of this work. The lanthanides were selected to act as size and electron configuration analogues of the minor actinides. Metal complexes with two ligands and two nitrates ([M(NO3)2(CMPO)2]+, for example) are studied in Bruker micrOTOF-Q II mass spectrometer equipped with collision-induced dissociation capability. The comparisons of the mass spectra are made in groups of homogenous ligands and mixed TODGA-CMPO ligands clusters. Comparisons are also made based on the complexed metals (Am and lanthanides). Preliminary data (300 words): Collision-induced dissociation mass spectrometry data are collected on two ligands complexed with metal nitrates where the two ligands are homogenous, with (CMPO)2 or (TODGA)2, or heterogeneous, with (TODGA)(CMPO). Several fragmentation patterns are observed among complexes with the CMPO ligand whereas the TODGA ligand commonly dissociates intact from the complex. Most of the metal complexes exhibit similar fragmentation patterns, but there are a few notable deviations in fragmentation patterns between the Am and Ln-bearing complexes. For the [M(CMPO)2(NO3)2]+ complexes, the initial loss of nitrate in the form of nitric acid is observed in all four complexes. However, [Am(CMPO)2(NO3)2]+ exhibits an additional fragmentation not found in the lanthanide complexes. Also, a significantly different ratio of the second nitric acid loss is found in the Am complex. These deviations may indicate the different interaction behaviors between actinides and lanthanides. The [M(TODGA)2(NO3)2]+ complexes exhibit the fragmentation as the loss of one TODGA ligand as an intact form and the loss of nitrate as nitric acid. The Am complex exhibits an additional fragmentation after losing the TOGDA ligand, which is not observed among the Ln complexes. The heterogeneous [M(TODGA)(CMPO)(NO3)2]+ complexes exhibit both similarities and differences between the Am and Ln complexes. For example, the heterogenous Am complex does not exhibit the loss of an intact TODGA ligand while all three Ln complexes do. This indicates that TODGA may bind more strongly to Am than Ln. Additionally, the intensity of the loss of CMPO ligand (as partially or whole) is found to be significantly larger than that of the loss of TODGA (as partially of whole) indicating that TODGA is bound to the metal significantly stronger than CMPO. Planned computational analysis will help understand the deviation in fragmentation behaviors between americium and lanthanide metal centers, or between TODGA and CMPO ligands. Novel aspect (20 words): Gas-phase actinide and lanthanide complex formation and fragmentation provide insight into the coordination environment differences of f-element metals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Colloidal Behavior of Plutonium Oxide in Concentrated Electrolyte Solutions

The Hanford Site in Washington State manages legacy high-level radioactive waste streams that display major chemistry and engineering challenges, including the high salt levels and pH values that correspond to conditions under which many classical concepts describing chemical reactivity cannot be applied. One particular challenge that needs to be tackled at Hanford is that Pu concentrations, [Pu], in the soluble phases of the tank wastes are higher than expected based on the solubility of crystalline PuO2, which is widely accepted to be caused by the formation of PuO2 colloid, consisting of nano- to submicron-sized particles (PuO2 NPs). Fundamental research underpinning the behavior of PuO2 NPs under conditions not only relevant to the Hanford tank waste but at high ionic strength in general is needed to reliably predict the chemical reactivity of PuO2 NPs and develop engineering solutions to safely and efficiently process high-level radioactive waste into forms suitable for long-term storage. In this work, we study the behavior of PuO2 NPs (particle size ~100 nm) under high ionic strength conditions by reacting it with highly concentrated (up to 5 M) salt solutions. We explore different electrolyte compositions to elucidate the impact of different anions (NO3-, Cl-, ClO4-, SO42-, C2O42-, CO32-) on the stability of PuO2 NP in the acidic and alkaline pH regime. PuO2 NP aggregation and precipitation as function electrolyte concentration is tracked by a combination of liquid scintillation counting, dynamic light scattering for determination of particle size distributions, and zeta potentials as a proxy for particle charge. At acidic pH, electrolytes containing non-coordinating anions, such as NaNO3, NaCl, and NaClO4 mostly stabilize PuO2 NPs over a large electrolyte concentration range, showing only subtle differences in their reactivity. Other electrolyte anions show a more pronounced effect on the PuO2 NP stability: SO42-, binds directly to the particles’ surface, reverses the particle charge, and precipitates the PuO2 NPs efficiently even at intermediate sulfate concentrations (>0.1 M). In contrast, C2O42- is found to lead to high [Pu] in solution, in the milli-molar range, even at mildly acidic pH (~4). Thermodynamic modeling of the dissolved Pu concentrations using PHREEQC is unable to predict the observed [Pu] in the acidic pH regime, supporting the influence of colloids in maintaining elevated [Pu]. It is noteworthy that the current thermodynamic databases do not include constants for colloidal Pu phases and cannot accurately predict many of the high ionic strength solutions relevant to this work. The mechanisms and models responsible for these observations will need further investigation in the future. At high pH values (~12), PuO2 NPs exhibits classical sol-gel chemistry, meaning that upon destabilization of the colloidal sol, for example by addition of concentrated NaOH, highly porous and viscid PuO2 coagulates are formed that consist of a three-dimensional network likely held together by physical interactions. The PuO2 NP coagulate shows no significant reversibility of the aggregation when contacted with concentrated brines; however, PuO2 NPs can be efficiently resuspended in solution by addition of diluted electrolytes, alkaline solutions containing high amounts of carbonate, or simple addition of water. Especially carbonate is shown to stabilize PuO2 NPs in solution at high pH, characterized by stable colloidal suspensions that are resistant against sedimentation during centrifugation. Thermodynamic modeling of the carbonate system was able to predict an increasing dissolved Pu concentration with increasing carbonate concentration. However, the model was profoundly sensitive to the fixed redox potential and does not include any thermodynamic constants for colloidal Pu species.

Neumann, Julia↗
DOE OSTI2024

Individual Data Sparsity in Smart Thermostat Big Data: Impacts on Modeling Thermostat Use Behavior Dynamics

This study explores the impacts of the sparsity of individual thermostat interaction data on modeling thermostat use behavior dynamics using a dataset of over 100,000 smart thermostats. In developing a data-driven model of Thermal Frustration Theory (TFT), we investigate the challenges and trade-offs in clustering occupant data to enhance predictive accuracy. Our findings reveal that a single, aggregated model fails to capture the diversity of occupant behaviors, resulting in extremely poor prediction performance. Conversely, excessive clustering exacerbates data sparsity, undermining model reliability. By identifying an optimal clustering strategy, we achieve a balance that significantly improves the prediction of manual setpoint changes during demand response (DR) events, enhancing energy management and occupant comfort

Fannon, David↗
DOE OSTI2025

Assessment of Buffer-IPyC Thermomechanical Debonding Behavior Using New Experiment Strength Data in BISON

TRIstructural ISOtropic (TRISO) single sub-millimeter-diameter nuclear fuel particle consists of a spherical fuel kernel surrounded by four coating layers. During reactor operation, the TRISO coating layers are subjected to irradiation-induced dimensional changes and the associated thermomechanical behavior of each layer. One of the observed behaviors is gap formation between the buffer and IPyC layer due to the porous buffer’s irradiation-induced shrinkage exceeding that of the IPyC layer. To predict TRISO thermomechanical performance, multi-physics models have been built that are continually updated and refined. The BISON code is a finite element-based nuclear fuel performance code that may be used for TRISO particle simulations. One of the recent additions to the BISON code is the ability to model the process of layer debonding. This paper will focus on the simulation results of the improved BISON debonding model that will utilize updated strengths measured from irradiated TRISO fuel particles. The new experimental strength data from micromechanical tests of irradiated TRISO fuel samples were exercised in the BISON simulations and compared to baseline strength data to assess their applicability in the models. This also includes updated buffer-IPyC bond strengths to simulate layer delamination. Based on current experimental observations it is noted that the buffer-IPyC separation occurs not exactly at the junction of these two layers, but more on the side of the buffer layer. This improved modeling approach using experimental strength data to characterize buffer-IPyC debonding and its potential subsequent cracking will be presented in the paper along with comparisons to available experimental observations.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Influence of Numerical Modeling Approaches on Damped Behavior of Flexible Beams: Preprint

Composites structures are widely used in aerospace and wind energy applications for their excellent stiffness and strength-to-weight properties. In these structures, structural damping is critical to predict vibration amplitudes, performance, and reliability. Structural damping is of particular interest for slender wings, rotorcraft blades, and wind turbine blades that can exhibit complex vibration phenomena and are frequently modeled with geometrically exact beam theory (GEBT). Standard approaches of stiffness proportional or modal damping merely assign user defined values and cannot predict damping behavior. This work compares stiffness proportional damping to two more advanced damping approaches: modal strain energy and Prony series. The modal strain energy approach uses a sectional analysis tool to calculate the beam stiffness and postprocess internal stresses from GEBT simulations. The internal stresses are then used to calculate modal damping factors. The Prony series is implemented within GEBT to directly model viscoelastic behavior of the composites. These approaches are compared by modeling the evolution of the damping factors of a realistic flexible wind turbine blade with varying rotational speed. Discrepancies between the approaches suggest areas for future modeling development, but differences in nonlinear damping values are less than current uncertainties about the magnitude of structural damping.

17 WIND ENERGY↗
DOE OSTI2025

Assessment of buffer-IPyC thermomechanical debonding behavior using new experimental strength data in BISON

TRIstructural ISOtropic (TRISO) fuel is a nuclear fuel commonly used in High Temperature Gas-cooled Reactors (HTGRs). A single sub-millimeter-diameter TRISO fuel particle consists of a spherical fuel kernel surrounded by four coating layers: a low-density pyrocarbon buffer layer, an inner pyrolytic carbon (IPyC) layer, a silicon carbide (SiC) layer, and an outer pyrolytic carbon (OPyC) layer. The kernel is commonly made of UO2 or a mixture of uranium carbide and uranium oxide (UCO). During reactor operation, the TRISO coating layers are subjected to irradiation-induced dimensional changes and the associated thermomechanical behavior of each layer. One of the observed behaviors is gap formation between the buffer and IPyC layer due to the porous buffer’s irradiation-induced shrinkage exceeding that of the IPyC layer. Not all irradiated particles will experience buffer-IPyC gap formation. The debonding may be partial, or it may be nearly total. However, from post-irradiation examination of UCO TRISO fuels irradiated as part of the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program, it was concluded that partial buffer-IPyC debonding was the most common type of buffer-IPyC interaction. To predict TRISO thermomechanical performance, multi-physics models have been built that are being continually updated and refined. The BISON code is a finite element-based nuclear fuel performance code that may be used for 1D, 2D, and 3D TRISO particle simulations. This code is used to calculate fuel temperature, kernel swelling, buffer densification, thermal and irradiation creep, fracture, and fission gas production and release. One of the recent additions to the BISON code is the ability to model the process of layer debonding. This paper will focus on the simulation results of the improved BISON debonding model that will utilize updated strengths measured from irradiated AGR TRISO fuel particles. The new experimental strength data from micromechanical tests of irradiated TRISO fuel samples were exercised in the BISON simulations and compared to baseline strength data to assess their applicability in the models. This also includes updated buffer-IPyC bond strengths to simulate layer delamination. Based on current experimental observations it is noted that the buffer-IPyC separation occurs not exactly at the junction of these two layers, but more on the side of the buffer layer. That observation is also implemented in the TRISO interface debonding model. This improved modeling approach using experimental strength data to characterize buffer-IPyC debonding and its potential subsequent cracking will be presented in the paper along with comparisons to available experimental observations.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Partitioning behavior and mechanisms of rare earth elements during precipitation in acid mine drainage

Rare earth elements (REEs) are frequently found concentrated in acid mine drainage (AMD). The recovery of REEs from AMD has been successfully achieved using selective chemical precipitation. However, a portion of the REEs is often lost to the precipitates of the dominant metal contaminant ions. To better understand the REE partitioning behavior and mechanisms during the precipitation process, a systematic study was performed on both natural and synthetic AMD solutions. Precipitation test results show that REE removal was noticeably elevated at pH 4.0 after adding H 2 O 2 to convert ferrous to ferric ions, causing nearly complete precipitation of iron. Solution equilibrium calculations suggested that the REE removal increase was realized through adsorption onto the surfaces of the ferric precipitates. The presence of aluminum species in the solutions reduced the adsorption of REEs on the ferric precipitates. Based on electro-kinetic test results, it was concluded that aluminum species neutralize the negative surface charge of the ferric precipitates and compete with REEs for the adsorption active sites. The presence of ferrous ions in the solutions reduced REE adsorption on the aluminum precipitates at lower pH values (e.g., 5.0) due to competitive adsorption. However, at higher pH values (e.g., 6.0), REE removal to the precipitate product increased due to the precipitation of ferrous ions. Additionally, to the electro-kinetic tests and solution equilibrium calculations, mineralogy characterization, specific surface area measurement, particle size analysis, and morphology analysis were also conducted to investigate and identify the partitioning mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Compression behavior of lithium fluoride up to 80 GPa and 2300 K

Here, the high-temperature compression behavior of lithium fluoride (LiF) has been determined to ∼80 GPa and 2300 K by means of high-resolution synchrotron-based x-ray diffraction in a laser-heated diamond-anvil cell. The room-temperature Vinet equation of state (EOS) for LiF yields an isothermal room-temperature, ambient-pressure lattice parameter a 0 = 4.028 (±0.003) Å, volume V 0 = 65.35 (±0.03) Å 3 , bulk modulus K 0 = 67.57 (±0.34) GPa, and its pressure derivative K 0 ’ = 4.64 (±0.03). This expanded experimental dataset is in good agreement with the LiF thermal equation of state by Myint et al. (2019) up to ∼2300 K and 25 GPa. At higher pressures and temperatures our data shows reduced thermal expansion compared to the prediction and may be particularly important for experiments at more extreme conditions.

High-pressure behavior↗
DOE OSTI2025

Unveiling Atomistic Mechanisms Governing Additive Manufacturing Processability and Mechanical Behavior of a Refractory Complex Concentrated Alloy

Extending the concept of complex concentrated alloys (CCAs) to the refractory alloys (solidus temperature over 2000 °C) space potentially facilitates the design of lightweight structural alloys with service temperatures that exceed those of Ni and Co‐based alloys. However, the room and elevated temperature tensile properties of the current refractory‐CCAs (R‐CCAs) are inferior to those of the Ni/Co‐based alloys. Furthermore, the manufacturing scalability of R‐CCAs remains challenging, in that cracks are prevalent in all R‐CCAs when processed using near‐net shape manufacturing processes, such as fusion‐based additive manufacturing (F‐BAM). Still, mechanisms governing the poor F‐BAM processability of R‐CCAs remain unexplored. Here, to this end, this work unveils the atomistic mechanisms underlying F‐BAM process‐induced cracking in a NbTiTaMoHfZrC R‐CCA. The implications of light elements’ presence for intrinsic ductility and grain boundary cohesion, and subsequently for F‐BAM processability and mechanical behavior, are revealed. Leveraging the insights, we accomplish what is, to the best of the knowledge, the first instance of crack‐free F‐BAM processing of any R‐CCA. Additionally, the R‐CCA exhibits over 20% tensile ductility and ≈160 MPa tensile yield strength at 1200 °C. In addition to facilitating the design of lightweight R‐CCAs, findings enable scalable manufacturing of these ultra‐high temperature alloys for structural applications.

Refractory alloys↗
DOE OSTI2020

Structural Stabilization of P2-type Sodium Iron Manganese Oxides by Electrochemically Inactive Mg Substitution: Insights of Redox Behavior and Voltage Decay

Layered P2-type Na 0.8 Mn 0.5 Fe 0.5 O 2 cathode material is a promising candidate for next-generation sodium-ion batteries due to the economical and environmentally benign characteristics of Mn and Fe. The poor cycling stability of the material, however, is still a problem that must be solved. To address the problem, here, electrochemically inactive Mg 2+ was introduced into the structure by substituting some of the Fe ions. It was shown that Mg substitution led to a smoother voltage profile with improved cycling performance and rate capability. These observations were attributed to the suppressed structural changes during electrochemical processes. Detailed redox mechanisms, associated local structural changes, and phase transitions were investigated by X-ray absorption spectroscopy and X-ray diffraction. From the detailed analysis of electrochemical behaviors, it was also identified how the redox reactions and structural disordering occurred in the high-and low-voltage regions and how Mg substitution stabilized the structure.

25 ENERGY STORAGE↗
DOE OSTI2025

Microstructural, Oxidation, and Mechanical Behavior of NbTi-Based Refractory Alloys with 5 to 10 Pct Co, Cr, and Ni Additions

NbTi-based refractory alloys with additions of Co, Cr, and Ni represent an interesting medium-entropy alloy system with potential for protective oxide film formation, high strength, and ductility. This study investigates the microstructural evolution, oxidation behavior, and mechanical properties of NbTi-based alloys containing 5 to 10 at. pct Co, Cr, and Ni. CALPHAD predictions suggest that this composition range can be heat treated to obtain a predominantly body-centered cubic matrix phase. Mechanical properties, including microhardness, yield strength, maximum strength, and specific strength are evaluated through isothermal compression tests conducted between room temperature and 800 °C. The oxidation kinetics of these alloys are assessed through discontinuous oxidation tests. Parabolic oxidation kinetics were observed for NbTi–10Ni and NbTi–5Co, while linear oxidation kinetics were found for NbTi–10Cr and NbTi–10(CoCrNi). Microstructures and oxide layers are characterized using X-ray diffraction, electron backscatter diffraction, energy-dispersive X-ray spectroscopy, and scanning electron microscopy. All alloys exhibit significant mechanical softening between room temperature and 800 °C, with elastic-perfectly plastic flow observed at 800 °C. The addition of 10 pct Cr to NbTi resulted in two BCC phases up to 1050 °C, conflicting with CALPHAD predictions of a single-phase solid solution at this temperature, and resulting in higher flow stress at 800 °C. NbTi–10(CoCrNi) exhibited the lowest flow stress at 800 °C despite having more ‘cocktail effect’ potential and insufficient molar fractions of Co, Cr, or Ni to form a desirable protective oxide film.

36 MATERIALS SCIENCE↗
DOE OSTI2023

On the applicability of various levels of detail for occupant behavior representation and modeling in building performance simulation

Occupant behavior (OB) is one of the significant sources of uncertainty in building performance simulation. While OB modeling has received increased attention in the past decade, research on the degree of granularity or level of detail (LoD) required for representing occupants is still in the nascent stages. This paper analyzes the modeling and applicability of three LoDs to represent occupants in building performance assessment. A medium-sized prototype office building located in Chicago, Illinois is used as the simulation case study. Ten occupant-centric attributes are adopted to develop the LoDs for OB representation. We first demonstrate the different modeling approaches required for simulating the three fidelity levels. Later, we illustrate the suitability of the developed LoDs in supporting six building performance use cases across different lifecycle stages. Furthermore, this study intends to provide guidance for the building simulation community on appropriate OB representation to support various use cases.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Control of High-Temperature Static and Transient Thermomechanical Behavior of SiMo Ductile Iron by Al Alloying

Abstract Silicon and molybdenum ( SiMo ) ductile iron is commonly used for exhaust manifolds because these components experience thermal cycling in oxidizing environment, which requires resistance to fatigue during transient thermomechanical loads. Previous studies have demonstrated that alloying elements, such as Al , to SiMo ductile iron reduces the amount of surface degradation during static high-temperature exposure. However, deterioration of sphericity of the graphite nodules and a decrease in ductility could affect the tendency of cracking during thermal cycling. In this article, the effect of Al alloying on static and transient thermomechanical behavior of SiMo ductile iron was investigated to optimize the amount of Al alloying. A thermodynamic approach was used to confirm the effect of the Al alloying on the phase transformations in two SiMo cast irons, alloyed by 1.8% Al and 3% Al . These two alloys were cast in a laboratory along with the baseline SiMo ductile iron. Several experimental methods were used to evaluate the dimensional stability, physical properties, static oxidation, and failure resistance during constrained thermal cycling testing to compare their high-temperature capability. Experimental results verified that Al alloying increases the temperature range and decreases volume change during eutectoid transformation, which together with enhancement of oxidation protection improved the dimensional stability. Thermocycling tests showed that the number of cycles to failure depends on the amount of Al alloying and the applied high-temperature exposure during each cycle. SEM/EDX, high-resolution TEM and µCT analysis were used to verify the mechanism resulting from the Al alloying protection. It was shown that an optimal level of Al alloying for balancing oxidation and thermal cracking resistance depends on thermomechanical conditions of application.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tribological behaviors of nanotwinned Al alloys

Wear-induced damages cause significant materials loss each year. Al alloys are widely used by industry but usually have low wear resistance. Here, we compare the tribological behaviors of ultrafine grained Al, a nanoprecipitate hardened Al 7075 alloy and nanotwinned Al–Ni alloys using the nanoscratch. The nanotwinned Al–Ni alloys exhibit lower coefficient of friction and much greater wear resistance than the Al and Al 7075 alloys. Additionally, the enhanced wear properties of Al–Ni alloys arise from their high strength and the evolution of nanotwinned microstructures into gradient nanograins during wear. These findings on fundamental wear mechanisms in nanotwinned alloys may advance the discovery of wear-resistant metallic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

29 Si solid state MAS NMR study on leaching behaviors and chemical stability of different Mg-silicate structures for CO 2 sequestration

Silicon is one of the most earth abundant elements, and thus, the fate and reactivity of silicate materials are often important for various energy and environmental technologies including carbon sequestration, where CO 2 is captured and stored as a thermodynamically stable solid carbonate phase. Thus, understanding the structures and chemistries of different silicate phases has become an important research aim. Here in this study, the changes in the silicate structures (Q 0 –Q 4 ) of heat-treated Mg-bearing mineral (serpentine) exposed to a CO 2 -water system (carbonic acid) was investigated using 29 Si MAS NMR, XRPD and ICP-OES and the identified structures were employed to explain complex leaching behaviors of silicate materials. The 29 Si MAS NMR and XRPD analysis indicated that the heat-treated serpentine is a mixture of amorphous (Q 1 : dehydroxylate I, Q 2 : enstatite, Q 4 : silica) and crystalline (Q 0 : forsterite, Q 3 : dehydroxylate II and serpentine) phase, while natural serpentine mineral has single crystalline Q 3 silicate structure. The leaching experiments showed that both Mg and Si in the amorphous silicate structures (Q 1 : dehydroxylate I, Q 2 : enstatite) are more soluble than those in crystalline phase (Q 0 : forsterite, Q 3 : dehydroxylate II and serpentine). Therefore, tuning the silicate structure towards Q 1 and Q 2 would significantly improve carbon sequestration potential of silicate minerals, whereas silicate materials with Q 3 structure would provide great chemical stabilities in acidic conditions. The solubilities of silicate structures were in the order of Q 1 (dehydroxylate I) > Q2 (enstatite) >> Q0 (forsterite) > Q3 (dehydroxylate II) > Q 3 (serpentine) and this finding can be used to better design a wide range of energy and environmental materials and reaction systems.

25 ENERGY STORAGE↗
DOE OSTI2022

Additive manufacturing of complexly shaped SiC with high density via extrusion-based technique – Effects of slurry thixotropic behavior and 3D printing parameters

Here, additive manufacturing of dense SiC parts was achieved via an extrusion-based process followed by electrical-field assisted pressure-less sintering. The aim of this research was to study the effect of the rheological behavior of SiC slurry on the printing process and quality, as well as the influence of 3D printing parameters on the dimensions of the extruded filament, which are directly related to the printing precision and quality. Different solid contents and dispersant- Darvan 821A concentrations were studied to optimize the viscosity, thixotropy and sedimentation rate of the slurry. The optimal slurry was composed of 77.5 wt% SiC, Y 2 O 3 and Al 2 O 3 powders, 0.25 wt% dispersant and 0.01 wt% defoamer. The printing parameters studied included extrusion pressure, nozzle size, layer height and printing speed; the one that had the most prominent effect on filament width and height was indicated as layer height. The nozzle inner diameter of 1.04 mm, speed of 350 mm/min, layer height of 0.7 mm and extrusion air pressure of 0.31 MPa were the optimal printing parameters. Furthermore, the relationship between the printing parameters and the filament dimensions was successfully predicted by using machine learning and grey system theory. Finally, the relative density of the printed SiC parts sintered at 1900 oC reached 94.7±1.5%.

36 MATERIALS SCIENCE↗