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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Calculating the Effects of Solids Input and Removal as a Temperature Control in the Advanced Scale Up Reactor Experiment (ASURE) Facility at NETL Using Aspen

The Advanced Scale Up Reactor Experiment (ASURE) facility at NETL is being designed to be a fuel-flexible multi-purpose reactor that can be used for pyrolysis/gasification or evaluation of other high pressure “circulating fluidized bed” (CFB) chemical processes. The initial system design calculations for pyrolysis/gasification are presented in this work showing the expected performance of the ASURE facility when used as a biomass conversion reactor. Several other areas of application include gasification of any carbonaceous fuel including biomass, coal, plastics, and other waste materials. The reactor can therefore be used to produce SYNGAS of various compositions and hydrogen as well as other high value chemicals resulting from a typical tuned gasification process. This paper discusses an ASPEN model of the facility, focusing on the riser of the CFB reactor and the solids recirculation loop. The ASPEN model divides the riser into two sections. A bottom section which receives ash, char and sand which have been recirculated from a return loop. In this section an inert fluidization gas, (N2 or CO2), is introduced which acts as the primary mover of the solids through the system. The bottom section is equipped with a restricted air feed so that the recirculated char can be partially oxidized. This oxidation process along with the inventory of recirculating sand are used to effectively control the temperature in the following two chemical conversion sections of the reactor which are the pyrolysis zone followed by a tar cracking zone. Fresh fuel is added to the pyrolysis zone and undergoes drying and devolatilization. The products ash, char, volatile matter, and water vapor exit the pyrolysis zone and enter the reaction block for tar cracking. Steam and CO2 gasification reactions will be incorporated into the tar cracking zone, however at the design operating temperature, conversion from these reactions is expected to be essentially zero. The unit when completed in 2026 will test mixtures of biomass, plastics, and waste coal. This presentation discusses the basic ASPEN engineering design model for this project and provides preliminary sensitivity studies to determine how the various parts of the reactor will perform.

ASSURE↗
DOE OSTI2025

Calculating the Effects of Solids Input and Removal as a Temperature Control in the Advanced Scale Up Reactor Experiment (ASURE) Facility at NETL Using Aspen

The Advanced Scale Up Reactor Experiment (ASURE) facility at NETL is being designed to be a fuel-flexible multi-purpose reactor that can be used for pyrolysis/gasification or evaluation of other high pressure “circulating fluidized bed” (CFB) chemical processes. The initial system design calculations for pyrolysis/gasification are presented in this work showing the expected performance of the ASURE facility when used as a biomass conversion reactor. Several other areas of application include gasification of any carbonaceous fuel including biomass, coal, plastics, and other waste materials. The reactor can therefore be used to produce SYNGAS of various compositions and hydrogen as well as other high value chemicals resulting from a typical tuned gasification process. This paper discusses an ASPEN model of the facility, focusing on the riser of the CFB reactor and the solids recirculation loop. The ASPEN model divides the riser into two sections. A bottom section which receives ash, char and sand which have been recirculated from a return loop. In this section an inert fluidization gas, (N2 or CO2), is introduced which acts as the primary mover of the solids through the system. The bottom section is equipped with a restricted air feed so that the recirculated char can be partially oxidized. This oxidation process along with the inventory of recirculating sand are used to effectively control the temperature in the following two chemical conversion sections of the reactor which are the pyrolysis zone followed by a tar cracking zone. Fresh fuel is added to the pyrolysis zone and undergoes drying and devolatilization. The products ash, char, volatile matter, and water vapor exit the pyrolysis zone and enter the reaction block for tar cracking. Steam and CO2 gasification reactions will be incorporated into the tar cracking zone, however at the design operating temperature, conversion from these reactions is expected to be essentially zero. The unit when completed in 2026 will test mixtures of biomass, plastics, and waste coal. This paper presents the basic ASPEN engineering design model for this project and provides preliminary sensitivity studies to determine how the various parts of the reactor will perform.

ASSURE↗
DOE OSTI2023

Spontaneous mesostructure formation produces optically transmissive Ni–P films that are catalytically active for the photoelectrochemical hydrogen evolution reaction

Ni–P films that are catalytically active for the hydrogen-evolution reaction were electrodeposited onto photoactive Si substrates between 20 °C and 80 °C from an aqueous solution. Ni–P films deposited at 20 °C and exposed to acidic environments spontaneously developed deep cracks. A substantial increase in optical transmission to the semiconducting substrate resulted without affecting the catalytic performance of the film. In contrast, Ni–P films deposited at 80 °C only developed minor surface-level cracks and did not exhibit a substantial increase in optical transmission. During electrodeposition of the Ni–P films at low temperatures, the uptake of parasitically evolved hydrogen generated partially defective Ni–P, causing crack formation. Increases in the temperature of the electrodeposition bath increased the faradaic efficiency of Ni–P deposition and consequently reduced the uptake of parasitically generated hydrogen. The defective Ni–P films were converted to a crack-resistant material by thermally desorbing the excess hydrogen that was absorbed during the low-temperature electrodeposition process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Thermal shock resistance of additively manufactured alumina

The mechanical behavior and cracking patterns of thermally-shocked additively manufactured alumina were investigated. The flexural strength of test specimens that had been heated to temperatures ranging from 200°C to 1000°C and then rapidly quenched in water was determined at ambient temperature by four-point bending. Results indicated that the surface cracking patterns had a multifractal structure and that an increase in the thermal shock temperature led to an increase in the density and uniformity of the crack network. Further, the flexural strength results were analyzed with Weibull statistics, where the Weibull moduli for most of the thermal shock conditions tested were found to be statistically indistinguishable. It was also found that a significant decrease (~50%) in flexural strength occurred for heating temperatures ≥300°C. The effect of the manufacturing method on cracking patterns is discussed, as well as the implication of the material behavior for practical applications of these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Study of the Printability, Microstructures, and Mechanical Performances of Laser Powder Bed Fusion Built Haynes 230

The nickel-based superalloy, Haynes 230 (H230), is widely used in high-temperature applications, e.g., heat exchangers, because of its excellent high-temperature mechanical properties and corrosion resistance. As of today, H230 is not yet in common use for 3D printing, i.e., metal additive manufacturing (AM), primarily because of its hot cracking tendency under fast solidification. The ability to additively fabricate components in H230 attracts many applications that require the additional advantages leveraged by adopting AM, e.g., higher design complexity and faster prototyping. In this study, we fabricated nearly fully dense H230 in a laser powder bed fusion (L-PBF) process through parameter optimization. The efforts revealed the optimal process space which could guide future fabrication of H230 in various metal powder bed fusion processes. The metallurgical analysis identified the cracking problem, which was resolved by increasing the pre-heat temperature from 80 °C to 200 °C. A finite element simulation suggested that the pre-heat temperature has limited impacts on the maximum stress experienced by each location during solidification. Additionally, the crack morphology and the microstructural features imply that solidification and liquation cracking are the more probable mechanisms. Both the room temperature tensile test and the creep tests under two conditions, (a) 760 °C and 100 MPa and (b) 816 °C and 121 MPa, confirmed that the AM H230 has properties comparable to its wrought counterpart. The fractography showed that the heat treatment (anneal at 1200 °C for 2 h, followed by water quench) balances the strength and the ductility, while the printing defects did not appreciably accelerate part failure.

14 SOLAR ENERGY↗
DOE OSTI2024

Hygrothermal aging and recycling effects on mechanical and thermal properties of recyclable thermoplastic glass fiber composites

Abstract Glass fiber‐reinforced polymer composites are widely used in marine applications, including renewable energy devices and submarines, due to their strength‐to‐weight ratios and corrosion resistance. As sustainability becomes more important, recyclable thermoplastic composites are gaining attention in marine energy applications. These materials face harsh conditions such as high chloride water, UV radiation, pressurization, and thermal cycling, which can affect their durability and recyclability. This study examines the impact of hygrothermal aging on the recyclability of an Elium glass fiber (GF) composite. Samples were mechanically ground for recycling, and mechanical and thermal properties were compared between aged and unaged samples. After seawater aging, the tensile strength and modulus of the unaged composite dropped by 25% and 13% respectively, due to water ingress along the fiber‐matrix interface. The recycled composite showed reduced flexural strength as the long fiber composite was converted into short fibers during the process. Differential scanning calorimetry (DSC) revealed no change in glass transition temperature after aging. Weight loss (25%) was attributed to the thermal stability of the glass fibers. Dynamic mechanical analysis (DMA) showed that the storage modulus increased with aging, and fracture analysis confirmed a mixed mode of failure for aged composites. Highlights Hygrothermal aging lowers mechanical performance of Elium® GF composites. Failure mechanism tends to be matrix cracking and interface bonding. Glass transition temperature is not reduced by hygrothermal aging. Fractured composite was successfully recycled via thermoforming. Flexural strength of the recycled composite is lower.

17 WIND ENERGY↗
DOE OSTI2025

Surrogate Model Integration with MOOSE XFEM for Creep Crack Growth

Ferritic-martensitic steels are key structural materials for advanced reactors but experience time-dependent deformation and damage under prolonged high temperature and irradiation, leading to creep-driven crack initiation and growth. High-fidelity models—crystal plasticity with irradiation mechanisms, phase-field for microstructural evolution, and continuum-damage viscoplasticity—capture the underlying physics but are too computationally intensive for broad design-space exploration and uncertainty quantification. This milestone advances a scalable alternative by integrating a microstructure-sensitive surrogate creep model into the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element framework and extending it to fracture via the extended finite element method (XFEM). The surrogate model, developed with collaborators at Sandia and Los Alamos National Laboratories, maps relevant microstructural descriptors to the viscoplastic response of HT9. We embed this surrogate within a coupled deformation-damage workflow in MOOSE/XFEM to simulate creep-driven crack initiation and propagation. Implementation enhancements include updates to the material interface, a plastic correction phase involving microstructure evolution, and fracture criteria to ensure numerical robustness and compatibility with the surrogate structure. Demonstrations on canonical creep benchmarks spanning uniaxial and multiaxial states show that the surrogate reproduces key trends of high-fidelity models while substantially reducing computational cost. The resulting capability bridges physics fidelity and performance, providing a practical path to a predictive, microstructure-aware assessment of creep and fracture in reactor materials.

36 - MATERIALS SCIENCE↗
DOE OSTI2026

Full-Strength Additive Manufacturing of Pure Aluminum Alloy 7075 Using Liquid Metal Jet Printing

Additive manufacturing (AM) of high-strength aluminum alloys can produce high-performance aerospace and biomedical parts with unique geometries and functions. However, many high-performance alloy systems such as AA 7075 pose challenges during AM due to thermal cycles that cause hot cracking, limiting AM to casting-friendly alloys. Stock AA 7075 alloy poses additional challenges due to the excessive growth of insoluble precipitates during casting and needs to be thermomechanically processed to obtain acceptable mechanical properties. Here, this work uses liquid metal jet printing to produce high-resolution pure AA 7075 parts at high strength (593 MPa) and ductility (10 pct), surpassing the specific strength of any type of steel. The parts are printed by depositing fine droplets on a high-temperature substrate that reduces cooling rates, preventing hot cracking. The results show that fully dense, crack-free parts can only be printed at substrate temperatures of 500 °C with a cooling rate threshold of < 2000 K/s to prevent cracking and < 500 K/s to eliminate porosity. The tensile strength, microhardness, and ductility of the parts matched or were beyond the wrought alloy specifications after heat treatment, possibly due to high solidification rates that produce finer insoluble precipitates. Our results indicate that many challenging high-performance alloy systems can now be 3D printed based on the critical thresholds for cooling rates using any AM method that can satisfy these conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Failure analysis of nuclear transient-tested UN tristructural isotropic fuel particles in a 3D printed SiC matrix

Fully ceramic microencapsulated fuel elements containing UN tristructural isotropic (TRISO) fuel particles within a 3D printed SiC matrix were subjected to transient testing with varying energy depositions. Detailed post-irradiation examinations were performed, including leaching in hot HNO3 and post-leaching X-ray computed tomography, to quantify the percentage of failed TRISO particles and crack propagation within the particles and surrounding fuel matrix. In parallel, detailed finite element analyses were performed for comparison with experimental findings and to better evaluate transient failure modes. The lowest transient energy deposition—which still exceeded bounding values for high-temperature gas-cooled reactor applications—resulted in no detectable TRISO particle failures or matrix cracking, which was consistent with the simulations. Simulations of the higher-energy transients for which significant TRISO particle failure was expected were generally able to reproduce the transient temperatures and matrix cracking. Thus, the TRISO particle failures were explained based on the effects of local SiC matrix thickness and porosity. Results generally confirmed the high strength of the additively manufactured SiC matrix but also affirmed the need for a modified UN TRISO architecture to prevent SiC matrix cracks from propagating through TRISO layers. This unique failure mode has not historically been considered for TRISO fuels contained in weaker graphite matrices.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

LaNi x Fe 1–x O 3 as flexible oxygen or carbon carriers for tunable syngas production and CO 2 utilization

The current study reports LaFe 1–x Ni x O 3–δ redox catalysts as flexible oxygen or carbon carriers for CO2 utilization and tunable production of syngas at relatively low temperatures (~700 °C), in the context of a hybrid redox process. Specifically, perovskite-structured LaFe 1–x Ni x O 3–δ with seven different compositions (x = 0.4–1) were prepared and investigated. Cyclic experiments under alternating methane and CO 2 flows indicated that all the samples exhibited favorable reactive performance: CH 4 and CO 2 conversions varied between 85% and 98% and 70–88%, respectively. While H 2 /CO ratio from Fe-rich redox catalysts was ~2.3:1 in the methane conversion step, Ni-rich catalysts produced a concentrated (~ 93.7 vol%) hydrogen stream via methane cracking. The flexibility of LaFe 1–x Ni x O 3–δ to produce syngas (or hydrogen) with tunable compositions was found to be governed by the iron/nickel (Fe/Ni) ratio. Redox catalysts with higher Fe contents act as a lattice oxygen carrier via chemical looping partial oxidation (CLPOx) of methane whereas those with higher Ni contents function as a carbon carrier via chemical looping methane cracking (CLMC) scheme. XRD analysis and temperature-programmed reactions revealed that both types of catalysts involve the formation of La 2 O 3 and Ni 0 /Ni-Fe phases under the methane environment. The ability to re-incorporate La 2 O 3 and Ni/Fe into a perovskite structure gives rise to oxygen-carrying capacity whereas stable Ni 0 or Ni/Fe phases would catalyze methane cracking without lattice oxygen exchange in the reaction cycles. Here, temperature programmed oxidation and Raman spectroscopy indicated the presence of graphitic and amorphous carbon species, which were effectively gasified by CO 2 to produce concentrated CO. Stability tests over LaFe 0.5 Ni 0.5 O 3 and LaNiO 3 revealed that the redox performance was stable over a span of 50 cycles.

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

Computational thermomechanics for crystalline rock. Part II: Chemo-damage-plasticity and healing in strongly anisotropic polycrystals

We present a thermal–mechanical–chemical-phase field model that captures the multi-physical coupling effects of precipitation creeping, crystal plasticity, anisotropic fracture, and crack healing in polycrystalline rock at various temperature and strain-rate regimes. This model is solved via a fast Fourier transfer solver with an operator-split algorithm to update displacement, temperature and phase field, and chemical concentration incrementally. In nuclear waste disposal in salt formation, brine inside the crystal salt may migrate along the grain boundary and cracks due to the gradient of interfacial energy and pressure. This migration has a significant implication on the permeability evolution, creep deformation, and crack healing within rock salt but is difficult to incorporate implicitly via effective medium theories compared with computational homogenization. As such, we introduce a thermodynamic framework and a corresponding computational implementation that explicitly captures the brine diffusion along the grain boundary and crack at the grain scale. Meanwhile, the anisotropic fracture and healing are captured via a high-order phase field that represents the regularized crack region in which a newly derived non-monotonic driving force is used to capture the fracture and healing due to the solution–precipitation. Numerical examples are presented to demonstrate the capacity of the thermodynamic framework to capture the multiphysics material behaviors of rock salt.

42 ENGINEERING↗
DOE OSTI2024

Heat affected zone liquation cracking evaluation on FeMnAl alloys

FeMnAl steels are currently generating a lot of interest with potential applications for structural parts in armored vehicles due to their lower density and outstanding mechanical properties. Despite the extensive mechanical performance and heat treatment exploration of this alloy class, further weldability investigation is required for future large-scale deployment. In the present study, the liquation cracking of four heats of cast FeMnAl alloys was investigated by the spot-Varestraint technique. The study focuses primarily on the effect of the major elements of the FeMnAl system: C, Mn and Al. Optical and electron microscopy were employed to investigate the microstructural features, and CALPHAD was employed to aid the discussion regarding the alloy’s composition differences and their effect on the liquation cracking susceptibility. The study was able to identify that compositions with the higher Mn, C, and lower Al presented the highest liquation cracking susceptibility. Conversely, composition presenting lower Mn, C, and Al showed the most resistant behavior. Furthermore, lower Al content promoted a fully-γ microstructure at low temperatures, which encouraged the appearance of longer cracks as a γ-matrix is more susceptible to HAZ cracking than a fully ferritic (α) or duplex (α + γ) microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Efficient low-temperature, catalyst-free dehydrogenation of alkanes

Steam cracking of ethane, a non-catalytic thermochemical process, remains the dominant means of ethylene production. The severe reaction conditions and energy expenditure involved in this process incentivize the search for alternative reaction pathways and reactor designs which maximize ethylene yield while minimizing cost and energy input. According to the present invention, ethylene yields as high as 68% were obtained with a quartz open tube reactor without the use of a catalyst or a cofed stream of oxidizing agents. The open tube reactor design promotes simplicity, low cost, and negligible coke formation. Reactor designs can be optimized to improve the conversion of ethane to ethylene via non-oxidative dehydrogenation, an approach which shows promise for decentralized production of ethylene from natural gas deposits.

Riley, Christopher Ryan↗
DOE OSTI2024

Identifying multiple synergistic factors on the susceptibility to stress relaxation cracking in variously heat-treated weldments

The 347H austenitic stainless steel has been widely used for pressure vessels and pipeline (PVP) applications due to its excellent creep and corrosion resistance, which fit ideally to the harsh conditions in petrochemical industries, fossil fuel or nuclear power plants, and modern energy storages. However, a failure mode has been commonly observed with cracks emerging at the heat affected zone (HAZ) of weldments during post-weld heat treatment (PWHT) or under intermediate to high temperature service conditions. This phenomenon is termed as Stress Relaxation Cracking (SRC) since the purpose of PWHT is to relieve the welding-induced residual stress fields, or as Stress Age Cracking (SAC) if failure happens during service. A leading literature explanation of this failure suggests that the residual stress relaxation and the precipitation dissolution and/or re-precipitation occur in the same temperature range, which can lead to locally high strains and thus to crack at the grain boundaries. Since in situ spatial measurements of residual stress fields, microstructural evolution, and failure processes are nearly infeasible, this work recourses to a micromechanical finite element framework that models the high temperature failure as the nucleation and growth of grain boundary cavities, whereas various parameters such as thermomechanical loading history and its evolution, the competition of grain-interior dislocation creep and grain-boundary diffusion in failure lifetime, and microstructural heterogeneities (such as the precipitate free zone near grain boundaries) can be quantitatively incorporated. It can be concluded from these microstructure-explicit simulations that an accurate knowledge of residual stress evolution and a carefully calibrated set of material constitutive parameters are the essential prerequisites for lifetime predictions. The understanding of individual governing factors also leads to a mechanistic interpretation of the observed SRC susceptibility C-curves. In conclusion, these results suggest that the criticality of residual stress evolution, but not the precipitation-induced local strains, be the leading factor for SRC.

347H stainless steel weldments↗
DOE OSTI2020

Hotspot formation due to shock-induced pore collapse in 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (HMX): Role of pore shape and shock strength in collapse mechanism and temperature

The shock to detonation transition in heterogeneous high energy density solids starts with the spatial localization of mechanical energy into so-called hotspots that form due to the interaction between the leading wave and microstructural features and defects. We used large-scale molecular dynamics to characterize the hotspots resulting from the shock-induced collapse of cylindrical voids and elongated cracks focusing on the effect of shock strength, defect shape, and size. The temperature fields resulting from the collapse of cracks elongated along the shock direction show significantly higher sensitivity to both shock strength and size than cylindrical voids. Cracks 80 nm in length result in temperatures almost three times higher than voids 80 nm in diameter, reaching values corresponding to the ideal case of isentropic recompression of a gas. The molecular dynamics trajectories reveal the atomic origin of this contrasting behavior. While circular voids undergo a transition from viscoelastic pore collapse to a hydrodynamic regime with increasing shock strength, shock focusing in elongated cracks results in jetting and vaporization which, upon recompression, leads to increased heating.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electrochemically Engineered, Highly Energy-Efficient Conversion of Ethane to Ethylene and Hydrogen below 550 °C in a Protonic Ceramic Electrochemical Cell

Ethylene is one of the largest building blocks in the petrochemical industry, mainly produced by steam cracking of ethane derived from naphtha or shale gas at high temperatures (>800 °C). Despite its technical maturity and economic competitiveness, the thermal steam cracking of ethane is highly energy-intensive. In this work, an electrochemically engineered direct conversion process of ethane to produce hydrogen and ethylene using a planar protonic ceramic membrane reactor with a bi-functional three-dimensional catalytic electrode is reported, with a single-pass ethane conversion of 40% and ethylene yield of 26.7% at 550 °C. Compared with the industrial ethane steam cracking, this method saves process energy input by 45.1% and improves process energy efficiency by 50.6%, based on comprehensive process simulation using Aspen Plus software. Further, steam electrolysis treatment under the solid oxide electrolysis cell mode can regenerate the system’s catalytic performance and significantly alleviate catalytic degradation by 74%, demonstrating high techno-economic viability.

bi-functional electrode↗
DOE OSTI2023

Room Temperature Stamping of High-Strength Aluminum for Lightweight Structural Automotive Components

The use of aluminum (Al) 7xxx series in automobile structural applications is limited by factors such as its low room-temperature formability in T6 temper and the need for off-line artificial aging to regain high strength if it is formed in soft temper. In this study, two tempers were established that enable Al 7075 blanks to be room temperature stamped to create side impact beams that achieve near-T6 strength without post-forming artificial aging. It is shown that natural aging at room temperature, after solution treatment and before stamping, provides an alternative to high temperature pre-aging and hot stamping techniques in 7xxx alloys. Both tempers enabled room temperature stamping of the beams without cracking, indicating good formability. The Al beams were ~38% lighter than the benchmark boron steel beam. Further, the hardness in the low-deformation regions of the stamped Al beams were within 88% of a conventional 7075-T6 sheet. Paint-bake treatment of the beams appeared to cause over aging, lowering the ultimate tensile strength and ductility. Finite element three point bending simulations of the beams showed higher bending force and energy absorption before failure for the Al 7075 showing good promise for 7xxx series Al as a light-weight alternative to steel beams.

36 MATERIALS SCIENCE↗