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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Method for carbon dioxide capture and sequestration using alkaline industrial wastes

A method of sequestering gaseous carbon dioxide in which an oxide is carbonated by contacting it with a first aqueous carbonate solution to convert a portion of the oxide into a carbonate, which precipitates from solution. By converting the oxide to a solid carbonate, the CO 2 from the first carbonate solution is sequestered into the precipitate. At the same time, an aqueous hydroxide solution is formed. The aqueous hydroxide solution is contacted with gaseous carbon dioxide which sequesters the gaseous CO 2 into a second aqueous carbonate solution. The second solution so generated is then recycled back into the process and used to convert the oxide into the precipitated carbonate.

Wang, Bu↗
DOE OSTI2024

Bicarbonate-Carbonate Selectivity through Nanofiltration for Direct Air Capture of Carbon Dioxide

Direct air capture (DAC) of carbon dioxide is one approach among many proposed that is capable of offsetting hard-to-avoid emissions. In previous work, we developed the alkalinity concentration swing (ACS) method, which is driven through concentrating an alkaline solution that has been loaded with atmospheric CO 2 by desalination technologies, such as reverse osmosis or capacitive deionization. Though the ACS is promising in terms of energy usage and implementation, its absorption rate and water requirements are infeasible for a large-scale DAC process. Here, we propose an improvement on the ACS, the bicarbonate-enriched alkalinity concentration swing (BE-ACS), which selects bicarbonate ions from a stream of aqueous alkaline solution that has absorbed atmospheric CO 2 . The bicarbonate-rich stream is then concentrated, which greatly increases its CO 2 partial pressure, and then CO 2 is extracted from solution. We experimentally investigate the use of pressure-driven nanofiltration (NF) membrane-based separation to select bicarbonate ions over carbonate ions. We screen commercial membranes and select one high-performance membrane for detailed studies, quantifying its bicarbonate-carbonate selectivity factor and bicarbonate-passage factor. Feed pH, the combined concentration of aqueous CO 2 , bicarbonate, and carbonate species (or dissolved inorganic carbon), alkalinity, and permeation flux are systematically varied to study NF separation properties. We find that the selectivity factor, which exceeds 30 times in certain regimes, increases with higher feed pH and higher alkalinity. Lastly, the performance metrics of the selected NF membrane are input into a theoretical BE-ACS cycle analysis, and the required energy input and cycle capacity output are evaluated. Ideal cycle energy is found to be as low as around 250 kJ/mol, with opportunities identified for further decreases through process engineering and forward osmosis energy recovery.

animal feed↗
DOE OSTI2024

A New Coupled Biogeochemical Modeling Approach Provides Accurate Predictions of Methane and Carbon Dioxide Fluxes Across Diverse Tidal Wetlands

Abstract Tidal wetlands provide valuable ecosystem services, including storing large amounts of carbon. However, the net exchanges of carbon dioxide (CO 2 ) and methane (CH 4 ) in tidal wetlands are highly uncertain. While several biogeochemical models can operate in tidal wetlands, they have yet to be parameterized and validated against high‐frequency, ecosystem‐scale CO 2 and CH 4 flux measurements across diverse sites. We paired the Cohort Marsh Equilibrium Model (CMEM) with a version of the PEPRMT model called PEPRMT‐Tidal, which considers the effects of water table height, sulfate, and nitrate availability on CO 2 and CH 4 emissions. Using a model‐data fusion approach, we parameterized the model with three sites and validated it with two independent sites, with representation from the three marine coasts of North America. Gross primary productivity (GPP) and ecosystem respiration (R eco ) modules explained, on average, 73% of the variation in CO 2 exchange with low model error (normalized root mean square error (nRMSE) <1). The CH 4 module also explained the majority of variance in CH 4 emissions in validation sites ( R 2 = 0.54; nRMSE = 1.15). The PEPRMT‐Tidal‐CMEM model coupling is a key advance toward constraining estimates of greenhouse gas emissions across diverse North American tidal wetlands. Further analyses of model error and case studies during changing salinity conditions guide future modeling efforts regarding four main processes: (a) the influence of salinity and nitrate on GPP, (b) the influence of laterally transported dissolved inorganic C on R eco , (c) heterogeneous sulfate availability and methylotrophic methanogenesis impacts on surface CH 4 emissions, and (d) CH 4 responses to non‐periodic changes in salinity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Carbon dioxide, water vapor and methane soil efflux (soil respiration) in a Pinus palustris root exclusion in Georgetown, SC

This dataset contains processed data from a combination of survey flux chambers and long-term automated flux chambers. Soil flux measurements were conducted from June 2023 through December 2025 in a mature longleaf pine forest in Georgetown, SC. Soil respiration measurements were conducted approximately biweekly for two and a half years, before and after a root exclusion that took place on May 5, 2024. Processed, QAQC’d data for the treatment (root exclusion) and control (roots intact) before and after the root exclusion can be found in the file: 1_DATA_ESS_DOE_HR_RS_HB2_QAQC_Survey_Data_20260223.csv. Two multiday deployments were also conducted prior to the root exclusion using long-term automated chambers to continuously monitor greenhouse gas soil efflux. Processed, QAQC’d data for both long-term deployments can be found in the file: 2_DATA_ESS_DOE_HR_RS_HB2_QAQC_Longterm_Data_20260209.csv. Raw and working data files (.json, .81x, & .82z format) from LI-COR equipment are included for reference and can be accessed using SoilFluxPro software. CSV metadata files describe the raw data and modifications made using SoilFluxPro v5 and Matlab R2024b, as well as formatting and units for processed CSVs. Matlab code is included for reading in the processed CSVs, with sample figures comparing treatment and control. This research was performed as part of the project: “Improving models of stand and watershed carbon and water fluxes with more accurate representations of soil-plant-water dynamics in southern pine ecosystems”, which examines in part the effects hydraulic redistribution on soil efflux of carbon dioxide, water vapor and methane, as well as soil moisture and temperature in a southern pine ecosystem with sandy soils and high water table.

CARBON DIOXIDE FLUX↗
DOE OSTI2026

Carbon dioxide, water vapor and methane soil efflux (soil respiration) in a Pinus palustris restoration site in Georgetown, SC

This dataset contains processed data from a combination of survey flux chambers and long-term automated flux chambers. Biweekly soil flux measurements were conducted from June 2023 through December 2025 at a longleaf pine restoration site in Georgetown, SC. Processed, QAQC’d data can be found in the file: 1_DATA_ESS_DOE_HR_RS_HB3_QAQC_Survey_Data_20260223.csv. Raw and working data files (.json, & .81x format) from LI-COR equipment are included for reference and can be accessed using SoilFluxPro software. CSV metadata files describe the raw data and modifications made using SoilFluxPro v5 and Matlab R2024b, as well as formatting and units for processed CSVs. Matlab code is included for reading in the processed CSVs. This research was performed as part of the project: “Improving models of stand and watershed carbon and water fluxes with more accurate representations of soil-plant-water dynamics in southern pine ecosystems”, which examines in part the effects hydraulic redistribution on soil efflux of carbon dioxide, water vapor and methane, as well as soil moisture and temperature in a southern pine ecosystem with sandy soils and high water table.

CARBON DIOXIDE FLUX↗
DOE OSTI2025

High-temperature seals for supercritical carbon-dioxide (sCO 2 ) turbines (Final Report)

This is the final report for project DE-FE0031924 titled “High-temperature seals for supercritical carbon-dioxide (sCO 2 ) turbines.” The report provides a summary of the entire project efforts from October 2020 through December 2024 including the high-temperature commercial dry gas seal (DGS) tests and thermal modeling of Task 2, as well as the high-temperature, large-diameter seal design and high-temperature tests of large-diameter seals in Task 3. A key outcome of Task 2 was the testing completion of specially instrumented commercial DGS in the GE-SwRI Apollo sCO 2 compressor (27,000 rpm). Test data from the DGS showed elevated temperatures upwards of 350 o F, which are close to the higher operating temperature limit of the DGS. The temperature measurements provide insight into the expected thermal loads on DGS operating in high-speed sCO 2 compressor and provided test data for validation of an in-house thermal model of the compressor/seal. Under Task 2.0, this report also presents the development of a steady-state conjugate heat-transfer model of the DGS operating in the sCO 2 compressor – a first of its kind model for modeling heat transfer of sCO 2 in an actual operating compressor. The findings of the thermal model show a reasonable match between temperature predictions of the model and the measured temperature data, also pointing out the validity of the approach and assumptions made in modeling the flows, heat transfer coefficients and windage modeling in the rig. Under Task 3.0, this report presents the preliminary design of a large-diameter hybrid face seal (14 inch and 26-inch diameter) for field testing in a land-based GE turbine. The preliminary seal design effort presented in this report under project DE-FE0031924 builds on the development and successful laboratory testing for such large diameter hybrid face seal under the prior DE-FE0024007 project. Key aspects of seal fluid analyses with CFD, mechanical design considerations and assembly considerations in a land-based turbine are presented. Finally, under Task 3.0, this report also presents the continued high-temperature testing of the 14-inch diameter hybrid face seal developed previously under the DE-FE0024007 program. Specifically, test data demonstrating successful non-contact seal operation and seal effective leakage of 0.001-inch with seal inlet temperatures above 700 o F are presented in this report. Successful hybrid seal operation in a laboratory environment for a large diameter (14-inch) seal at temperatures above 700 o F is a major technological milestone for this technology.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Titanium Dioxide Nanomaterial Ink Production Through Laser Ablation Synthesis in Solution for Printed Electronics Applications

Flexible and printed electronics have become increasingly popular as they make possible the production of flexible, low-cost, multifunction devices that are unachievable through traditional manufacturing methods. The printed films are significantly impacted and thus limited by the existing ink production process. Herein, an alternate technique of generating high-quality titanium dioxide (TiO 2 ) nanoparticle ink compatible with aerosol jet printing using laser ablation synthesis in solution (LASiS) is showcased. Dynamic light scattering data and transmission electron microscopy confirm the particle size distribution. UV–vis measurements are performed, and the Beer–Lambert relationship is used to determine the concentration of the generated ink. The inks generated at two different repetition rates are compared: 200 kHz and 1 MHz. X-Ray diffraction analysis of the aerosol jet printed thin film post-thermal sintering confirms the grain size and phase purity of the printed thin films. This work demonstrates the effectiveness of the LASiS technique in producing printable nanoparticle inks with little-to-no postprocessing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Porosity as a Design Element for Developing Catalytic Molecular Materials for Electrochemical and Photochemical Carbon Dioxide Reduction

The catalytic reduction of carbon dioxide (CO 2 ) using sustainable energy inputs is a promising strategy for upcycling of atmospheric carbon into value-added chemical products. This goal has inspired the development of catalysts for selective and efficient CO 2 conversion using electrochemical and photochemical methods. Among the diverse array of catalyst systems designed for this purpose, two- and three-dimensional platforms that feature porosity offer the potential to combine carbon capture and conversion. Included are covalent organic frameworks (COFs), metal-organic frameworks (MOFs), porous molecular cages, and other hybrid molecular materials developed to increase active site exposure, stability, and water compatibility while maintaining precise molecular tunability. This mini-review showcases catalysts for the CO 2 reduction reaction (CO 2 RR) that incorporate well-defined molecular elements integrated into porous materials structures. Selected examples provide insights into how different approaches to this overall design strategy can augment their electrocatalytic and/or photocatalytic CO 2 reduction activity. This article is protected by copyright. All rights reserved.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Induced Ferromagnetism in Epitaxial Uranium Dioxide Thin Films

Abstract Actinide materials have various applications that range from nuclear energy to quantum computing. Most current efforts have focused on bulk actinide materials. Tuning functional properties by using strain engineering in epitaxial thin films is largely lacking. Using uranium dioxide (UO 2 ) as a model system, in this work, the authors explore strain engineering in actinide epitaxial thin films and investigate the origin of induced ferromagnetism in an antiferromagnet UO 2 . It is found that UO 2+ x thin films are hypostoichiometric ( x <0) with in‐plane tensile strain, while they are hyperstoichiometric ( x >0) with in‐plane compressive strain. Different from strain engineering in non‐actinide oxide thin films, the epitaxial strain in UO 2 is accommodated by point defects such as vacancies and interstitials due to the low formation energy. Both epitaxial strain and strain relaxation induced point defects such as oxygen/uranium vacancies and oxygen/uranium interstitials can distort magnetic structure and result in magnetic moments. This work reveals the correlation among strain, point defects and ferromagnetism in strain engineered UO 2+ x thin films and the results offer new opportunities to understand the influence of coupled order parameters on the emergent properties of many other actinide thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Modulation of Uptake and Reactivity of Nitrogen Dioxide in Metal-Organic Framework Materials

We report the modulation of reactivity of nitrogen dioxide (NO 2 ) in a charged metal–organic framework (MOF) material, MFM-305-CH 3 in which unbound N-centres are methylated and the cationic charge counter-balanced by Cl - ions in the pores. Uptake of NO 2 into MFM-305-CH 3 leads to reaction between NO 2 and Cl - to give nitrosyl chloride (NOCl) and NO 3 - anions. A high dynamic uptake of 6.58 mmol g -1 at 298 K is observed for MFM-305-CH 3 as measured using a flow of 500 ppm NO 2 in He. In contrast, the analogous neutral material, MFM-305, shows a much lower uptake of 2.38 mmol g -1 . The binding domains and reactivity of adsorbed NO 2 molecules within MFM-305-CH 3 and MFM-305 have been probed using in situ synchrotron X-ray diffraction, inelastic neutron scattering and by electron paramagnetic resonance, high-field solid-state nuclear magnetic resonance and UV/Vis spectroscopies. The design of charged porous sorbents provides a new platform to control the reactivity of corrosive air pollutants.

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

Reduction of Pertechnetate by Chemical and Photochemical Approaches and Incorporation of Tc(IV) into Titanium Dioxide

Technetium-99 is a prevalent fission product from nuclear waste. The long half-life (211,000 yr) and environmental mobility of pertechnetate (TcO 4 - ) render Tc particularly challenging to isolate and stabilize. Here, in this study, we present two approaches for development of potential wasteforms using titanium dioxide, TiO 2 . Approach 1 is a low temperature chemical synthesis of TiO 2 doped with Tc(IV) from TcO 4 - intended to mimic the Tc waste stream from the UREX family of separations and removes 98.5 % of the Tc, mainly present as edge-shared Tc(IV) pairs. Approach 2 utilizes TiO 2 to photocatalytically reduce TcO 4 - to Tc(IV) stabilized on the surface of or within the TiO 2 lattice. The %Tc removed from solution and adsorbed to TiO 2 is pH dependent, with the maximum Tc(IV) adsorbed at pH 3–4 as either TcO 2 or edge-sharing Tc(IV) octahedra. The Tc(IV)-TiO 2 composites materials formed by both approaches are suitable for consolidation into a dense wasteform by Hot Isostatic Pressing (HIPing).

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

Breakthrough innovations in carbon dioxide mineralization for a sustainable future

Greenhouse gas emissions and climate change concerns have prompted worldwide initiatives to lower carbon dioxide (CO 2 ) levels and prevent them from rising in the atmosphere, thereby controlling global warming. Effective CO 2 management through carbon capture and storage is essential for safe and permanent storage, as well as synchronically meeting carbon reduction targets. Lowering CO 2 emissions through carbon utilization can develop a wide range of new businesses for energy security, material production, and sustainability. CO 2 mineralization is one of the most promising strategies for producing thermodynamically stable solid calcium or magnesium carbonates for long-term sequestration using simple chemical reactions. Current advancements in CO 2 mineralization technologies, focusing on pathways and mechanisms using different industrial solid wastes, including natural minerals as feedstocks, are briefly discussed. However, the operating costs, energy consumption, reaction rates, and material management are major barriers to the application of these technologies in CO 2 mineralization. Further, the optimization of operating parameters, tailor-made equipment, and smooth supply of waste feedstocks require more attention to make the carbon mineralization process economically and commercially viable. Here, carbonation mechanisms, technological options to expedite mineral carbonation, environmental impacts, and prospects of CO 2 mineralization technologies are critically evaluated to suggest a pathway for mitigating climate change in the future. The integration of industrial wastes and brine with the CO 2 mineralization process can unlock its potential for the development of novel chemical pathways for the synthesis of calcium or magnesium carbonates, valuable metal recovery, and contribution to sustainability goals while reducing the impact of global warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Co-optimizing water-alternating-carbon dioxide injection projects using a machine learning assisted computational framework

In this report, a robust machine-learning-based computational framework that couples multi-layer neural network (MLNN) proxies and a multi-objective particle swarm optimizer (MOPSO) to design water-alternating-carbon dioxide injection (CO 2 -WAG) projects is presented. The proposed optimization protocol considers various objectives, including oil recovery and CO 2 storage volume. Expert MLNN systems are trained and employed as surrogate models of the high-fidelity compositional simulator in the optimization workflow. When multiple objective functions are considered, two approaches are employed to treat the objectives: the weighted sum method and the Pareto-front-based scheme. A field-scale implementation focusing on tertiary recovery in the Morrow B formation at Farnsworth Unit (FWU) is presented. The developed Pareto-optimal solutions indicate the maximal available oil production can be 1.64 × 10 7 barrels and maximal carbon storage can achieve 2.35 × 10 7 tons. Trade-offs factor is defined to divide the constructed Pareto front into 4 sections with the trade-off factors’ value ranges from 0.35 to 49.9. This work also compares the optimum solution found by the aggregative objective function and the solution repository covered by the Pareto front that considers the physical and operational constraints and reduces uncertainties involved by the multi-objective optimization process. Our comparison indicates multiple solutions exist to satisfy the objective criteria of the WAG design, and these results cannot be found using the traditional weighted sum method. The Pareto front solution can provide more options for project designers, but decisions regarding necessary trade-offs must be made using the solution repository to balance the project economics and CO 2 storage amount.

10 SYNTHETIC FUELS↗
DOE OSTI2026

Scaling considerations for supercritical carbon dioxide cycles including turbomachinery loss models

A modeling framework for the supercritical carbon dioxide recompressed closed Brayton cycle was developed. Unlike typical models, this effort incorporated generalized empirical turbomachinery loss models. Aerodynamic, windage, and leakage losses were considered in order to address the limitations of conventional constant-efficiency turbomachinery assumptions without relying on machine-specific or computationally expensive simulations. The model enables system-level exploration of optimal cycle design across a range of power scales, including smaller scales that are relevant to microreactors and extraterrestrial power applications. Parametric studies and multi-objective optimizations are used to evaluate the trade-offs between thermal efficiency and system compactness based on an analytical heat exchanger scaling model, yielding Pareto-optimal fronts across a range of operating pressures. Results reveal that at small power scales, the Pareto-optimal compressor inlet pressure becomes subcritical due to the increasing influence of density-dependent turbomachinery losses. Here, the relative contributions of each loss mechanism are quantified, and design recommendations are provided for key parameters such as recompression split ratio and generator cavity pressure across varying power scales.

Multi-objective optimization↗
DOE OSTI2024

Enhancing predictive understanding and accuracy in geological carbon dioxide storage monitoring: Simulation and history matching of tracer transport dynamics

Co-injection of conservative tracers with carbon dioxide (CO 2 ) is a viable tool for monitoring subsurface processes during geological CO 2 storage (GCS). This research investigates the simulation and history-matching of a gas tracer (sulfur hexafluoride, SF 6 ) during CO 2 flooding, employing a core flooding result in Berea sandstone. Four extensively used saturation functions are assessed for their efficacy in history matching of CO 2 /SF 6 injection at the core scale. The history-matching process incorporates particle swarm optimization (PSO) to fine-tune constitutive relationships parameters. Next, employing transport models at the aquifer scale, we interrogate the impact on tracer transport and mixing of saturation function uncertainties, arising from the non-uniqueness of constitutive relationships parameters and saturation function types. To assess the effects of geological heterogeneity on behavior of tracer breakthrough curves (BTCs), we employ two normalized parameters assessing the degree of mixing and SF 6 breakthrough time. The aquifer-scale investigation encompasses both homogeneous and heterogeneous systems with and without capillary heterogeneity effects. Our findings underscore the critical importance of addressing saturation function uncertainties, emphasizing the significance of auxiliary experiments and innovative methodologies to enhance predictive accuracy. The findings highlight significant disparities in arrival times, BTC peaks, tails, and mixing levels, even under optimal conditions. Heterogeneity, with or without capillary heterogeneity, plays a crucial role in shaping BTC variations, resulting in accelerated SF 6 breakthrough times and reduced BTC peaks. Evaluation of monitoring points distant from the injector reveals a dampening effect on the SF6 BTC peak, particularly in heterogeneous systems with capillary heterogeneity, where the peak is halved. These insights underscore the challenges associated with tracer monitoring and the necessity for enhanced methodologies to improve predictive accuracy in subsurface processes during GCS.

58 GEOSCIENCES↗
DOE OSTI2020

A Bioinspired Multicomponent Catalytic System for Converting Carbon Dioxide into Methanol Autocatalytically

Nature utilizes multicomponent catalyst systems to convert simple, abundant starting materials to complex molecules that are essential for life. In contrast, synthetic chemical transformations rarely adopt this strategy because the sophisticated supramolecular assemblies used by biology for active site separation and substrate trafficking are difficult to replicate. Herein, a method is described for multicomponent catalyst separation that involves encapsulating transition metal complexes in nanoporous materials called metal-organic frameworks. The multicomponent catalyst system was highly active for converting hydrogen and carbon dioxide to methanol, and it could be formulated so that it is readily recyclable. Moreover, an autocatalytic feature was uncovered that was only made possible by utilizing the multicomponent catalyst strategy employed. Furthermore, these results open avenues for obtaining fuel from abundant and renewable resources.

08 HYDROGEN↗
DOE OSTI2020

Modelling uranium dioxide corrosion under repository conditions: A pore-scale study of the chemical and thermal processes

This paper investigates the corrosion behaviors of spent uranium dioxide (UO 2 ) fuel when placed in geological repositories. We performed pore-scale reactive transport simulations of the UO 2 corrosion process in a defective fuel rod with different orientations of breach or fracture on its clad. It is found that the corrosion rate has strong dependency on the breach orientation. The highest corrosion rate of UO 2 is calculated when the angle between the groundwater flow direction and the clad fracture reaches 180°. UO 2 corrosion simulations with different flow rates are compared. The results show the higher flow rate accelerates the corrosion of UO 2 fuel. The effect of pH on the corrosion process is also determined. It is indicated that higher pH can limit the corrosion of UO 2 by reducing the reaction rate. The dependence of reaction rate and time on reactive surface area is explored. Spent fuel with lower surface area demonstrates longer lifetime under corrosion conditions. A numerical model coupling thermal conduction and chemical reactions is developed to assess the impact of temperature on the process of UO 2 corrosion. The results show that higher temperature leads to larger corrosion rates for UO 2 . Here, the predicted reaction rates are higher in comparison with the isothermal results. Hence, our results can help improve the fundamental understanding of UO 2 corrosion in geological repositories for long-term storage of spent nuclear fuels and provide guidance for the safe operations and selection of appropriate repositories.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Carburization resistance of cu-coated stainless steel in supercritical carbon dioxide environments

This study investigates the effectiveness of Cu as a corrosion barrier in supercritical carbon dioxide (s-CO 2 ) by coating 316 stainless steel (316) with various thicknesses of Cu. In this work, 316 exposed to s-CO 2 with 50 ppm CO showed a reduction in oxidation corresponding to the thickness of its Cu barrier coating. Additionally, a continuous Cu layer between the environment and the alloy was found to correlate to an elimination of carburization and corrosion-related mechanical degradation. This Cu coating technique could be applied over a variety of temperatures to improve the corrosion resistance of alloys that are susceptible to carburization.

36 MATERIALS SCIENCE↗