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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Effect of laser scanning speed on the microstructure, phase transformation and mechanical property of NiTi alloys fabricated by $\mathrm{LPBF}$

This study investigated the effects of laser scanning speed on the microstructure, phase transformation and properties of NiTi alloys fabricated by laser powder bed fusion (LPBF). In this study, the contributions of metallurgical factors under different scanning speeds, such as Ni evaporation, Ni4Ti3 precipitation, dislocations and internal stress, to the transformation temperature and transformation latent heat were clarified through specially designed experiments. Ni evaporation is found to have the most profound effect, followed by precipitation. Increasing scanning speed is found to reduce Ni loss, thus cause less increase in the transformation temperature and transformation heat of the LPBF-NiTi alloys. Increasing scanning speed also increases the microstructure non-uniformity and thus widens the transformation temperature interval. The orientations of residual stress exhibit strong crystallographic stiffness dependence. The LPBF-NiTi alloys with different scanning speeds all exhibited high strains (>13.4%) and excellent shape memory effect. A LPBF-NiTi honeycomb structure exhibited 96% shape recovery rate after a 60% pre-compressive deformation. Besides, there is an optimum scanning speed for minimum porosity and smallest average pore size. However, the pore structure is found to have weak influence on the tensile behaviour of the LPBF-NiTi alloys, possibly due to the high defect tolerance of the martensitic transformation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effects of strain and defects on the topological properties of HfTe 5

Manipulating topological states is a topic of vigorous research. However, the impact of such topological phase transitions on the quasiparticle dynamics remains elusive. Here, in this work, we present the effects of a transition from a strong to weak topological insulator in HfTe 5 as a function of Te vacancy concentration. We observed a significant transition from distinct sharp surface states and Dirac crossing to a Fermi-liquid-like quasiparticle state in which these surface-localized features are heavily suppressed. Additionally, by inducing the same effect through applied uniaxial stress, we demonstrate that changes in the lattice constants play the foremost role in determining the electronic structure, self-energy, and topological states of HfTe 5 . Our results demonstrate the possibility of using both defect chemistry and strain as control parameters for topological phase transitions and associated many-body physics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of Si impurities on microstructure and tensile properties of a cast Al-Mg-Fe alloy

Al-Mg alloys are attractive for structural castings owing to their superior strength and ductility in the as-cast state. However, given the tight tolerance for impurities, Al-Mg alloys produced from secondary sources still face multiple challenges. Here, we report the effect of increased Si impurity (0.05–1.6 wt%), which is commonly found in secondary Al sources, on microstructure and tensile properties of a cast Al-4.3Mg-1.6Fe (wt%) alloy, commercially referred to as Castaduct-42 alloy. Microstructural characterization revealed that Si addition increased the volume fraction, size, and aspect ratio of primary Al13Fe4 intermetallic particles as well as the volume fraction of other binary and ternary eutectic phases. Tensile testing results demonstrated that increasing Si impurities from 0.05 to 1.6 wt% reduced ductility from 14.3 ± 1.4 % to 2.2 ± 1.0 %. A particle cracking damage accumulation model coupled with failure analysis indicated primary Al13Fe4 intermetallic particles to be the major contributing factor to the deterioration in ductility with increasing Si content. Additionally, the stabilizing effect of Si on primary Al 13 Fe 4 was inconsistent with the CALPHAD calculation results based on existing CALPHAD databases which predict a slightly decreasing primary Al13Fe4 phase fraction with increasing Si concentration. This work provides new insights into the phase stability and mechanical behavior of the lesser studied Al-Mg-Fe-Si alloy system that will contribute to the development of sustainable cast Al-Mg based alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Sensitivity of the strength and toughness of concrete to the properties of the interfacial transition zone

We report Civil infrastructure is made primarily of concrete structures or components and therefore understanding durability and fracture behavior of concrete is of utmost importance. Concrete contains an interfacial transition zone (ITZ), a porous region surrounding the aggregates, that is often considered to be the weakest region in the concrete. The ITZ is poorly characterized and property estimates for the ITZ differ considerably. In this simulation study, representative concrete mesostructures are produced by packing coarse aggregates with realistic geometries into a mortar matrix. A meshless numerical method, peridynamics, is utilized to simulate the mechanical response including fracture under uniaxial compression and tension. The sensitivity of the stiffness and fracture toughness of the samples to the ITZ properties is computed, showing strong relationships between the ITZ properties and the effective modulus and effective yield strength of the concrete. These results provides insight into the influence of the poorly characterized ITZ on the stiffness and strength of concrete. This work showcases the applicability of peridynamics to concrete systems, matching experimental strength and modulus values. Additionally, relationships between the ITZ’s mechanical properties and the overall concrete strength and stiffness are presented to enable future design decisions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of microstructural and environmental variables on ductility of austenitic stainless steels

Austenitic stainless steels are used extensively in harsh environments, including for high-pressure gaseous hydrogen service. However, the tensile ductility of this class of materials is very sensitive to materials and environmental variables. While tensile ductility is generally insufficient to qualify a material for hydrogen service, ductility is an effective tool to explore microstructural and environmental variables and their effects on hydrogen susceptibility, to inform understanding of the mechanisms of hydrogen effects in metals, and to provide insight to microstructural variables that may improve relative performance. In this study, hydrogen precharging was used to simulate high-pressure hydrogen environments to evaluate hydrogen effects on tensile properties. Several austenitic stainless steels were considered, including both metastable and stable alloys. Room temperature and subambient temperature tensile properties were evaluated with three different internal hydrogen contents for type 304L and 316L austenitic stainless steels and one hydrogen content for XM-11. Significant ductility loss was observed for both metastable and stable alloys, suggesting the stability of the austenitic phase is not sufficient to characterize the effects of hydrogen. Internal hydrogen does influence the character of deformation, which drives local damage accumulation and ultimately fracture for both metastable and stable alloys. While a quantitative description of hydrogen-assisted fracture in austenitic stainless steels remains elusive, these observations underscore the importance of the hydrogen-defect interactions and the accumulation of damage at deformation length scales.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Interfacial microstructure and mechanical properties of rotary inertia friction welded dissimilar 422 martensitic stainless steel to 4140 low alloy steel joints

In this work, dissimilar rotary inertia friction welds between 422 martensitic stainless steel and 4140 martensitic low-alloy steel were made to fabricate prototype heavy-duty diesel engine pistons. The influence of the inertia friction welding process and post weld heat treatment (PWHT) temperature on the interfacial microstructure evolutions and corresponding effects on mechanical properties of the 422/4140 welds were evaluated in detail. Carbon diffused from the 4140 side to the 422 side during PWHT at 650 °C for 1.5 h, causing the formation of a hard carbide-rich layer on the 422 side, and a softer but discontinuous C-depleted layer the 4140 side. PWHT at 700 °C for 1.5 h greatly accelerated C diffusion across the interface relative to 650 °C, resulting in a thicker hard carbide-rich layer and a relatively thick and continuous layer of coarse C-depleted grains (ferrite) on the 4140 side. In addition, the PWHT temperature greatly influenced the tensile properties and fracture behavior of the welds, with the 650 °C PWHT-ed samples failing predominately in a ductile manner in the 4140 heat affected zone during tensile testing. Conversely, the 700 °C PWHT specimens exhibited a strength reduction compared with the 650 °C PWHT specimens because of additional coarsening of the interfacial ferrite layer and softening of the base materials during PWHT, with brittle fracture between the hard and soft layers the predominate failure mechanism. Based on the findings, a reduced PWHT temperature and/or time, minimizing the hardness differential of the base metals, and pre-heating the 422 steel prior to welding are the potential pathways to achieve a more optimal balance between desirable tempering and stress relief of the weld microstructure and undesirable C migration across the weld interface, and to reduce the strength mismatch across the weld.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microphysical properties of atmospheric soot and organic particles: measurements, modeling, and impacts

Atmospheric soot and organic particles from fossil fuel combustion and biomass burning modify Earth’s climate through their interactions with solar radiation and through modifications of cloud properties by acting as cloud condensation nuclei and ice nucleating particles. Recent advancements in understanding their individual properties and microscopic composition have led to heightened interest in their microphysical properties. This review article provides an overview of current advanced microscopic measurements and offers insights into future avenues for studying microphysical properties of these particles. To quantify soot morphology and ageing, fractal dimension ( D f ) is a commonly employed quantitative metric which allows to characterize morphologies of soot aggregates and their modifications in relation to ageing factors like internal mixing state, core-shell structures, phase, and composition heterogeneity. Models have been developed to incorporate D f and mixing diversity metrics of aged soot particles, enabling quantitative assessment of their optical absorption and radiative forcing effects. The microphysical properties of soot and organic particles are complex and they are influenced by particle sources, ageing process, and meteorological conditions. Furthermore, soluble organic particles exhibit diverse forms and can engage in liquid–liquid phase separation with sulfate and nitrate components. Primary carbonaceous particles such as tar balls and soot warrant further attention due to their strong light absorbing properties, presence of toxic organic constituents, and small size, which can impact human health. Future research needs include both atmospheric measurements and modeling approaches, focusing on changes in the mixing structures of soot and organic particle ensembles, their effects on climate dynamics and human health.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The effects of different types of mulch on soil properties and tea production and quality

Abstract BACKGROUND Tea is an important economic crop in China. Mulching, a modern agricultural practice, can modify the soil microenvironment and maintain the crop yield. RESULTS To investigate the effect of different mulching modes on tea plant growth, filed experiments were conducted in a Shizipu tea plantation located in Langxi Country (Xuanchen City, Anhui Province, China). Five treatments were carried out in a randomized complete block arrangement: (i) clean tillage (control); (ii) black plastic film; (iii) weed barrier fabric; (iv) rice straw mulch; and (v) intercropping with Vulpia myuros . The effects of different mulch modes on soil temperature, water moisture, soil compactness, root activity, soil enzyme activity and nutrition status on tea yield, quality and economic benefits were compared at the harvest stage. In the present study, compared with other mulch treatments, intercropping with V. myuros significantly reduced the topsoil temperature (to an optimum temperature) and soil compactness, and increased the water holding capacity in the deep soil layer, which contributed to increased tea root activity and respiration. Furthermore, intercropping with V. myuros significantly increased soil enzymes activity, soil organic matter, and the available nitrogen and phosphorus concentrations in the main root zone. Therefore, the stronger tea root activity accelerated nutrition uptake and increased the tea yield and quality‐related components of the tea, thus resulting in a larger average net income. CONCLUSION Intercropping with V. myuros could serve as a profitable agricultural method for tea production. © 2020 Society of Chemical Industry

Xianchen, Zhang↗
DOE OSTI2021

Impurity Control in Catalyst Design: The Role of Sodium in Promoting and Stabilizing Co and Co 2 C for Syngas Conversion

The design of supported heterogeneous catalysts requires a detailed understanding of the structure and chemistry of the active surface. Although the chemical components of the active phase, support material, and process feed are typically considered to be the most important factors governing catalyst structure and performance, many common commercial supports contain trace impurities, which can have profound effects on catalyst properties. In this work, we study silica–supported cobalt–based catalysts, which are widely used in syngas conversion to value–added products. Supported metallic Co is a commercial Fischer–Tropsch catalyst, whereas Co 2 C has shown promise for the direct conversion of syngas to higher oxygenates. This study examines the effects of Na, a commonly detected support impurity and a frequently used promoter, on the structure and reactivity of Co and Co 2 C. We show that trace Na impurities significantly decrease catalyst activity of supported metallic Co, and that high Na concentrations result in Co 2 C formation and a loss in Fischer–Tropsch activity. However, in Co 2 C catalysts, Na plays an important role in stabilizing the Co 2 C phase, but excess Na decreases catalyst activity. We use insitu X–ray absorption spectroscopy to study Co 2 C formation and decomposition in the Na–free catalyst under carburization and reaction conditions. Lastly, the work reveals the importance of carefully controlling alkali metal content, particularly at trace levels, in catalyst design.

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

Observational window effects on multi-object reverberation mapping

ABSTRACT Contemporary reverberation mapping campaigns are employing wide-area photometric data and high-multiplex spectroscopy to efficiently monitor hundreds of active galactic nuclei (AGNs). However, the interaction of the window function(s) imposed by the observation cadence with the reverberation lag and AGN variability time-scales (intrinsic to each source over a range of luminosities) impact our ability to recover these fundamental physical properties. Time dilation effects due to the sample source redshift distribution introduce added complexity. We present comprehensive analysis of the implications of observational cadence, seasonal gaps, and campaign baseline duration (i.e. the survey window function) for reverberation lag recovery. We find that the presence of a significant seasonal gap dominates the efficacy of any given campaign strategy for lag recovery across the parameter space, particularly for those sources with observed-frame lags above 100 d. Using the Australian Dark Energy Survey as a baseline, we consider the implications of this analysis for the 4MOST/Time-Domain Extragalactic Survey campaign providing concurrent follow-up of the Legacy Survey of Space and Time deep-drilling fields, as well as upcoming programmes. We conclude that the success of such surveys will be critically limited by the seasonal visibility of some potential field choices, but show significant improvement from extending the baseline. Optimizing the sample selection to fit the window function will improve survey efficacy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Exploring the Impact of Copper Oxide Substitution on Structure, Morphology, Bioactivity, and Electrical Properties of 45S5 Bioglass®

In recent decades, the requirements for implantable medical devices have increased, but the risks of implant rejection still exist. These issues are primarily associated with poor osseointegration, leading to biofilm formation on the implant surface. This study focuses on addressing these issues by developing a biomaterial for implant coatings. 45S5 bioglass® has been widely used in tissue engineering due to its ability to form a hydroxyapatite layer, ensuring a strong bond between the hard tissue and the bioglass. In this context, 45S5 bioglasses®, modified by the incorporation of different amounts of copper oxide, from 0 to 8 mol%, were synthesized by the melt–quenching technique. The incorporation of Cu ions did not show a significant change in the glass structure. Since the bioglass exhibited the capacity for being polarized, thereby promoting the osseointegration effectiveness, the electrical properties of the prepared samples were studied using the impedance spectroscopy method, in the frequency range of 102–106 Hz and temperature range of 200–400 K. The effects of CuO on charge transport mobility were investigated. Additionally, the bioactivity of the modified bioglasses was evaluated through immersion tests in simulated body fluid. The results revealed the initiation of a Ca–P-rich layer formation on the surface within 24 h, indicating the potential of the bioglasses to enhance the bone regeneration process.

Hammami, Imen (ORCID:0000000290072221)↗
DOE OSTI2024

Exploratory Studies of Mechanical Properties, Residual Stress, and Grain Evolution at the Local Regions near Pores in Additively Manufactured Metals

Directed energy deposition (DED) is gaining widespread acceptance in various industrial applications since its unique manufacturing features allow the DED to print metallic parts with very complex geometries. However, DED inevitably generates a lot of internal pores which can limit the widespread applications of the DED technique. The current studies on DED porosity are mostly focused on analyzing pores’ bulk-scale influences on mechanical properties and performances. Since DED pores have a micro-scale existence, with dimensions ranging from a few microns to several hundred microns, it is fundamental to explore the pores’ influences on the micro-scale, including local mechanical properties, residual stress, and grains near pores. However, this important research direction has been neglected. The objective of this work is to fill the above gap in DED porosity research and acquire a fundamental understanding of the role of porosity on a microscopic scale. The authors used nanoindentation approaches to investigate internal pores’ effects on mechanical properties and residual stress in local regions surrounding the pores. In addition, the grains near pores were observed through EBSD, and simulated with the Kinetic Monte Carlo model. The research findings can be provided for DED researchers and industrial practitioners as technical guidance. Most importantly, the research results can work as a good reference for tracing the source of bulk-scale mechanical performances and properties of DED parts with internal pores.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Suppressing Charged Cation Antisites via Se Vapor Annealing Enables p-Type Dopability in AgBiSe 2 –SnSe Thermoelectrics

Cation disordering is commonly found in multinary cubic compounds, but its effect on electronic properties has been neglected because of difficulties in determining the ordered structure and defect energetics. An absence of rational understanding of the point defects present has led to poor reproducibility and uncontrolled conduction type. AgBiSe 2 is a representative compound that suffers from poor reproducibility of thermoelectric properties, while the origins of its intrinsic n-type conductivity remain speculative. Here, it is demonstrated that cation disordering is facilitated by Bi Ag charged antisite defects in cubic AgBiSe 2 which also act as a principal donor defect that greatly controls the electronic properties. Using density functional theory calculations and in situ Raman spectroscopy, how saturation annealing with selenium vapor can stabilize p-type conductivity in cubic AgBiSe 2 alloyed with SnSe at high temperatures is elucidated. With stable and controlled hole concentration, a peak is observed in the weighted mobility and the density-of-states effective mass in AgBiSnSe 3 , implying an increased valley degeneracy in this system. These findings corroborate the importance of considering the defect energetics for exploring the dopability of ternary thermoelectric chalcogenides and engineering electronic bands by controlling self-doping.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mechanical evaluation of WC-Co materials with varying microstructures

Tungsten carbide–cobalt materials are useful in a variety of extreme applications due to a desirable blend of properties, yet the technology has not significantly changed since their initial development in the 1920s. The mechanical properties of this class of materials is highly dependent on two variables, the size of the tungsten carbide grains, and the amount of binder phase present in the final body. In this study, the amount of binder phase is isolated across three commercial materials from the same manufacturer with three different grain sizes to investigate the effect on mechanical properties. The mechanical properties investigated are indentation hardness, flexure and tensile strength, as well as fracture toughness. In general, an increase in hardness and tensile strength with decreasing grain size was observed, while the fracture toughness showed the opposite trend with toughness increasing with increasing grain size. The flexure strength results did not show a correlation to grain size. Fractographic analysis identified the dominant strength-limiting flaw for each sample, which largely were in the form of porosity. Other flaws types, such as inclusions from the milling process, clusters of large grains, and machining cracks from the surface finishing process, were also identified. Finally, Weibull analysis was performed and deemed appropriate for analysis of these materials, but strength-size scaling was not conducted due to the variability in the strength-limiting feature between the different specimen geometries.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effects of Solidification Cooling Rates on Microstructures and Physical Properties of Fe-6.5%Si Alloys

Compared to the widely used Fe-3.2wt%Si steel, Fe-6.5wt%Si has superior electric and magnetic properties, including higher electrical resistivity, lower iron loss, higher permeability, and near zero magnetostriction. However, Fe-6.5wt%Si sheet is difficult to produce using traditional manufacturing processes as the high silicon content favors the formation of ordered phases that embrittle the material. Fortunately, these ordered phases can be suppressed if the alloy is cooled fast enough from a high temperature kinetically trapping the disordered solid solution or amorphous state. Planar flow casting is known for its rapid solidification rate. In order to consider it as a viable method to manufacture ductile Fe-6.5wt%Si sheets, the effect of cooling rate on physical properties of Fe-6.5wt%Si alloy are systematically investigated. In this work, various cooling rates are achieved by changing melt-spin wheel speeds, which significantly affect the solidification temperature profile and have profound effects on ordering, microstructures, textures, hardness, and magnetic properties. High cooling rates result in refined grains, reduced ordering, enhanced <100> out of the plane texture, decreased hardness, and increased coercivity. This study demonstrates a critical cooling rate at ~1.7 × 10 5 K/s, corresponding to a tangential wheel speed of 5-7 m/s, below which the hardness significantly increases in agreement with the sudden increase of the ordered phases that causes the material embrittlement.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effects of the advanced organosolv pretreatment strategies on structural properties of woody biomass

Plants have evolved their lignocellulosic cell walls through complex structural and chemical mechanisms to protect itself against microbial attacks, which makes native lignocellulosic biomass recalcitrant to enzymatic deconstruction. Pretreatment is a crucial step in the biological conversion of biomass as it can render structural changes in the plant cell wall to reduce the biomass recalcitrance, thus enhancing its sugar release performance. There have been many efforts to develop effective pretreatment technologies to overcome the biomass recalcitrance with a primary focus on the efficient conversion of biomass carbohydrates to liquid fuels, while lignin is significantly underutilized despite its bulk amount and high-value opportunities. In this study, the effects of two recent organosolv pretreatment strategies, co-solvent enhanced lignocellulosic fractionation (CELF) and γ-Valerolactone (GVL) pretreatments, on physicochemical properties of poplar were investigated and compared with the effects of conventional ethanol organosolv pretreatment. Diverse physicochemical properties of biomass including chemical compositions, molecular weights of cellulose and lignin, aromatics and inter-unit linkages of lignin, lignin hydroxyl group contents, cellulose crystallinity, and accessible surface area of cellulose were analyzed before and after pretreatments. The results revealed how each organic solvent pretreatment system affected biomass structural characteristics and recalcitrance.

Meng, Xianzhi↗
DOE OSTI2024

Effect of different grain boundary diffusion alloys on magnetic properties of Dy-free sintered NdFeB magnet

Dy-free sintered magnets were fabricated by blending Neo powder with different grain boundary diffusion alloy powders. Cu, CeAl and CeAlCu have a negative effect on H cj of magnets, while PrAlCu and AlCuGa have a positive effect. The PrAlCu-added magnet achieves the best magnetic properties among all magnets with the additions of different diffusion alloys. With increasing PrAlCu from 0-10 wt.%, H cj of the magnets gradually increases from the original 14.5 kOe to 19.2 kOe. The magnet with 7.5 wt.% PrAlCu obtains a H cj of 18 kOe and (BH) max of 39.1 MGOe. It is found that Pr and Cu in PrAlCu alloy is mainly distributed at grain boundary and triple junctions, leading to a reduced coupling among grains, thus an enhanced H cj . Here, the grain boundary engineering by adding an appropriate alloy is an effective method to improve H cj of Dy-free NdFeB magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of layer bending on montmorillonite hydration and structure from molecular simulation

Conceptual models of smectite hydration include planar (flat) clay layers that undergo stepwise expansion as successive monolayers of water molecules fill the interlayer regions. However, X-ray diffraction (XRD) studies indicate the presence of interstratified hydration states, suggesting non-uniform interlayer hydration in smectites. Additionally, recent theoretical studies have shown that clay layers can adopt bent configurations over nanometer-scale lateral dimensions with minimal effect on mechanical properties. Therefore, in this study we used molecular simulations to evaluate structural properties and water adsorption isotherms for montmorillonite models composed of bent clay layers in mixed hydration states. Results are compared with models consisting of planar clay layers with interstratified hydration states (e.g. 1W–2W). The small degree of bending in these models (up to 1.5 Å of vertical displacement over a 1.3 nm lateral dimension) had little or no effect on bond lengths and angle distributions within the clay layers. Except for models that included dry states, porosities and simulated water adsorption isotherms were nearly identical for bent or flat clay layers with the same averaged layer spacing. Similar agreement was seen with Na- and Ca-exchanged clays. In conclusion, while the small bent models did not retain their configurations during unconstrained molecular dynamics simulation with flexible clay layers, we show that bent structures are stable at much larger length scales by simulating a 41.6×7.1 nm 2 system that included dehydrated and hydrated regions in the same interlayer.

58 GEOSCIENCES↗