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Process-dependent anisotropic thermal conductivity of laser powder bed fusion AlSi10Mg: impact of microstructure and aluminum-silicon interfaces

Purpose AlSi10Mg alloy is commonly used in laser powder bed fusion due to its printability, relatively high thermal conductivity, low density and good mechanical properties. However, the thermal conductivity of as-built materials as a function of processing (energy density, laser power, laser scanning speed, support structure) and build orientation, are not well explored in the literature. This study aims to elucidate the relationship between processing, microstructure, and thermal conductivity. Design/methodology/approach The thermal conductivity of laser powder bed fusion (L-PBF) AlSi10Mg samples are investigated by the flash diffusivity and frequency domain thermoreflectance (FDTR) techniques. Thermal conductivities are linked to the microstructure of L-PBF AlSi10Mg, which changes with processing conditions. The through-plane exceeded the in-plane thermal conductivity for all energy densities. A co-located thermal conductivity map by frequency domain thermoreflectance (FDTR) and crystallographic grain orientation map by electron backscattered diffraction (EBSD) was used to investigate the effect of microstructure on thermal conductivity. Findings The highest through-plane thermal conductivity (136 ± 2 W/m-K) was achieved at 59 J/mm 3 and exceeded the values reported previously. The in-plane thermal conductivity peaked at 117 ± 2 W/m-K at 50 J/mm 3 . The trend of thermal conductivity reducing with energy density at similar porosity was primarily due to the reduced grain size producing more Al-Si interfaces that pose thermal resistance. At these interfaces, thermal energy must convert from electrons in the aluminum to phonons in the silicon. The co-located thermal conductivity and crystallographic grain orientation maps confirmed that larger colonies of columnar grains have higher thermal conductivity compared to smaller columnar grains. Practical implications The thermal properties of AlSi10Mg are crucial to heat transfer applications including additively manufactured heatsinks, cold plates, vapor chambers, heat pipes, enclosures and heat exchangers. Additionally, thermal-based nondestructive testing methods require these properties for applications such as defect detection and simulation of L-PBF processes. Industrial standards for L-PBF processes and components can use the data for thermal applications. Originality/value To the best of the authors’ knowledge, this paper is the first to make coupled thermal conductivity maps that were matched to microstructure for L-PBF AlSi10Mg aluminum alloy. This was achieved by a unique in-house thermal conductivity mapping setup and relating the data to local SEM EBSD maps. This provides the first conclusive proof that larger grain sizes can achieve higher thermal conductivity for this processing method and material system. This study also shows that control of the solidification can result in higher thermal conductivity. It was also the first to find that the build substrate (with or without support) has a large effect on thermal conductivity.

Engineering↗

Covalently bonded three-dimensional carbon nanotube solids via boron induced nanojunctions

The establishment of covalent junctions between carbon nanotubes (CNTs) and the modification of their straight tubular morphology are two strategies needed to successfully synthesize nanotube-based three-dimensional (3D) frameworks exhibiting superior material properties. Engineering such 3D structures in scalable synthetic processes still remains a challenge. This work pioneers the bulk synthesis of 3D macroscale nanotube elastic solids directly via a boron-doping strategy during chemical vapor deposition, which influences the formation of atomic-scale “elbow” junctions and nanotube covalent interconnections. Detailed elemental analysis revealed that the “elbow” junctions are preferred sites for excess boron atoms, indicating the role of boron and curvature in the junction formation mechanism, in agreement with our first principle theoretical calculations. Exploiting this material’s ultra-light weight, super-hydrophobicity, high porosity, thermal stability, and mechanical flexibility, the strongly oleophilic sponge-like solids are demonstrated as unique reusable sorbent scaffolds able to efficiently remove oil from contaminated seawater even after repeated use.

36 MATERIALS SCIENCE↗

Covalently bonded three-dimensional carbon nanotube solids via boron induced nanojunctions

The establishment of covalent junctions between carbon nanotubes (CNTs) and the modification of their straight tubular morphology are two strategies needed to successfully synthesize nanotube-based three-dimensional (3D) frameworks exhibiting superior material properties. Engineering such 3D structures in scalable synthetic processes still remains a challenge. This work pioneers the bulk synthesis of 3D macroscale nanotube elastic solids directly via a boron-doping strategy during chemical vapor deposition, which influences the formation of atomic-scale elbow junctions and nanotube covalent interconnections. Detailed elemental analysis revealed that the elbow junctions are preferred sites for excess boron atoms, indicating the role of boron and curvature in the junction formation mechanism, in agreement with our first principle theoretical calculations. Exploiting this material s ultra-light weight, super-hydrophobicity, high porosity, thermal stability, and mechanical flexibility, the strongly oleophilic sponge-like solids are demonstrated as unique reusable sorbent scaffolds able to efficiently remove oil from contaminated seawater even after repeated use.

36 MATERIALS SCIENCE↗

Infusible thermoplastic resin based sandwich structures for wind blade applications and the influence of scrim on facesheet to core interface debonding

Infusible thermoplastic Elium® family of resins from Arkema have garnered much attention in recent years as a possible replacement for thermoset resins in laminate and sandwich composite manufacturing for wind blade applications due to its ease of recyclability and the ability to utilize existing manufacturing processes without imposing complicated variations. However, physical and mechanical properties of the proposed Elium® based thermoplastic composites must be comparable to existing epoxy (thermoset) based composites using manufacturing processes relevant for large wind turbine blades. A 13-meter-long demonstration blade was manufactured for that purpose and sandwich samples were obtained from that project for a detailed study. This paper details three-point flexural properties of unidirectional E-glass fiber reinforced acrylic and epoxy based sandwich panels with identical balsa wood core materials. In addition, to evaluate the relative merit considering debond failure mode, the interfacial critical strain energy release rate, predominantly in mode-1, was compared via single cantilever beam testing. In sandwich composites constructed with balsa wood core material, resin uptake by the balsa core is traditionally impeded via the insertion of a scrim material at the facesheet to core interface. Results revealed that inclusion of scrim mesh layer at the facesheet to core interface reduced flexural properties and strain energy release rates in panels infused with acrylic resin but did not significantly reduce these properties in epoxy infused facesheets.

Engineering↗

The 1994 research and technology report at the Goddard Space Flight Center

The breadth of subject material in this 1994 edition of the Research and Technology Report illustrates the broad scope of activities at the Goddard Space Flight Center. The numerous entries dealing with data processing and visualization show the strong emphasis on data and its interpretation. Reports are presented in the following sections: data processing and visualization; space sciences - high energy astronomy, solar system, and new techniques; earth system science - atmospheres, oceans and ice, solid earth, and soils and vegetation; networks, planning, and information systems - mission scheduling and operations, spacecraft operation and status, software engineering, and infrastructure support; engineering and materials - spacecraft subsystems, launch vehicles, thermal control, new mechanisms, and testing and evaluation; and flight projects.

Soffen, Gerald↗

Structural Tuning of Self‐Conductive Polymer as Gas Diffusion Layer for Electrocatalytic Reactions at High Current

Electrocatalytic conversions offer a promising route for sustainable chemical production using renewable energy. Gas diffusion layers (GDLs) enable selective product formation at high current densities but suffer from electrolyte flooding, and polytetrafluoroethylene (PTFE)-based GDLs typically require metal conductive layers, which constrain catalyst development. A recently developed GDL configuration, electropolymerized poly(3,4-ethylenedioxythiophene) (PEDOT)-coated PTFE, demonstrates notable flooding resistance, but suffers from gas diffusion limitations at elevated currents due to limited gas diffusion through the PEDOT layer. Here, different dopants in PEDOT are exploited to modify the physical properties and enhance gas transport. ClO 4 − -doped PEDOT exhibits superior performance due to optimized physical structure, leading to increased gas permeance and faradaic efficiency (FE) for CO production during electrocatalytic CO 2 reduction. Further optimization of coverage and thickness achieved by adjusting charge density led to an optimal configuration at 33 mC cm −2 . This GDL supports various metal electrocatalysts and demonstrates FE CO of > 90% for over 150 h at −200 mA cm −2 using a commercial silver electrocatalyst. This work highlights the importance of GDL engineering in enhancing performance and durability for long-term electrocatalytic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Use of a Dual-Structure Constitutive Model for Predicting the Long-Term Behavior of an Expansive Clay Buffer in a Nuclear Waste Repository

Expansive soils are suitable as backfill and buffer materials in engineered barrier systems to isolate heat-generating nuclear waste in deep geological formations. The canisters containing nuclear waste would be placed in tunnels excavated at a depth of several hundred meters. The expansive soil should provide enough swelling capacity to support the tunnel walls, thereby reducing the impact of the excavation-damaged zone on the long-term mechanical and flow-barrier performance. In addition to their swelling capacity, expansive soils are characterized by accumulating irreversible strain on suction cycles and by effects of microstructural swelling on water permeability that for backfill or buffer materials can significantly delay the time it takes to reach full saturation. In order to simulate these characteristics of expansive soils, a dual-structure constitutive model that includes two porosity levels is necessary. The authors present the formulation of a dual-structure model and describe its implementation into a coupled fluid flow and geomechanical numerical simulator. The authors use the Barcelona Basic Model (BBM), which is an elastoplastic constitutive model for unsaturated soils, to model the macrostructure, and it is assumed that the strains of the microstructure, which are volumetric and elastic, induce plastic strain to the macrostructure. The authors tested and demonstrated the capabilities of the implemented dual-structure model by modeling and reproducing observed behavior in two laboratory tests of expansive clay. As observed in the experiments, the simulations yielded nonreversible strain accumulation with suction cycles and a decreasing swelling capacity with increasing confining stress. Finally, the authors modeled, for the first time using a dual-structure model, the long-term (100,000 years) performance of a generic heat-generating nuclear waste repository with waste emplacement in horizontal tunnels backfilled with expansive clay and hosted in a clay rock formation. The thermo-hydro-mechanical results of the dual-structure model were compared with those of the standard single-structure BBM. The main difference between the simulation results from the two models is that the dual-structure model predicted a time to fully saturate the expansive clay barrier on the order of thousands of years, whereas the standard single-structure BBM yielded a time on the order of tens of years. These examples show that a dual-structure model, such as the one presented here, is necessary to properly model the thermo-hydro-mechanical behavior of expansive soils.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Intelligent Manufacturing Support: Specialized LLMs for Composite Material Processing and Equipment Operation

Engineering educational curriculum and standards cover many material and manufacturing options. However, engineers and designers are often unfamiliar with certain composite materials or manufacturing techniques. Large language models (LLMs) could potentially bridge the gap. Their capacity to store and retrieve data from large databases provides them with a breadth of knowledge across disciplines. However, their generalized knowledge base can lack targeted, industry-specific knowledge. To this end, we present two LLM-based applications based on the GPT-4 architecture: (1) The Composites Guide: a system that provides expert knowledge on composites material and connects users with research and industry professionals who can provide additional support and (2) The Equipment Assistant: a system that provides guidance for manufacturing tool operation and material characterization. By combining the knowledge of general AI models with industry-specific knowledge, both applications are intended to provide more meaningful information for engineers. In this paper, we discuss the development of the applications and evaluate it through a benchmark and two informal user studies. The benchmark analysis uses the Rouge and Bertscore metrics to evaluate our models’ performance against GPT-4o. The results show that GPT-4o and the proposed models perform similarly or better on the ROUGE and BERTScore metrics. The two user studies supplement this quantitative evaluation by asking experts to provide qualitative and open-ended feedback about our model’s performance on a set of domain-specific questions. The results of both studies highlight a potential for more detailed and specific responses with the Composites Guide and the Equipment Assistant.

Kapoor, Gunnika [Oak Ridge National Laboratory (OR↗

Modeling the Long-Term Behavior of Cementitious Barriers - 18188

Cementitious materials are commonly included as backfill/barrier materials in geological repositories for radioactive waste. An understanding of the long-term behavior of cement-based barriers is therefore required to provide confidence in their safety functions within an environmental safety case. Geochemical modelling has been undertaken on several different radioactive waste repository concepts (and their natural/industrial analogues), to explore the nature of cement degradation over timescales relevant to postclosure safety (many tens of thousands of years to c. 1 Ma). In radionuclide transport calculations undertaken as part of performance assessments, it is typically considered that the properties of cementitious engineered barrier materials change as they degrade, potentially resulting in an increase in porosity hydraulic conductivity, and effective diffusion coefficients. However, reactive transport modelling (supported by some analogue data) suggests that, in some repository systems, a degree of clogging of the cement pore space could occur and that some advective flow paths (cracks in the barriers, fractures in the host rock) could become (to some extent) infilled by cement and rock alteration products. This could result in a reduction in water flow and contaminant transport in the vicinity of the cement-rock interface, but some uncertainties remain (especially process couplings and the nature of water flow in complex fracture networks that are becoming clogged). In addition, the armoring of fracture surfaces could result in decreased potential for diffusion of solutes into the rock matrix. It is envisaged that ongoing work will continue to improve reactive-transport model capabilities, such that the implications cement degradation has for contaminant transport can be predicted with greater confidence. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SDU7 Interior Liner Testing & Evaluation

The Saltstone Disposal Unit 7 (SDU7) project requested the Savannah River National Laboratory (SRNL), Materials Science & Engineering (MS&E) organization to evaluate an alternative bromobutyl liner and adhesives for potential use in SDU7 based on applicable ASTM testing standards. SRNL performed similar testing for the liner system used in SDU6. Bonded and non-bonded samples of the alternative liner (Blair Rubber Marflex™ RCHB60HT) were subjected to specific ASTM tests after immersion in two Saltstone leachate simulants, designated S1 and S2, for 1000 hours at 60 °C. Immersion exposures were performed at the Savannah River Ecology Laboratory (SREL). Post-immersion testing involved mechanical property and hardness testing of base material, lap-shear testing of bonded samples and rubber-to-concrete paver interrogation. The liner exhibited an approximate 40% drop in tensile strength and 25% drop in elongation at failure from baseline values after immersion, though final values are comparable to previous SDU6 liner values and are within liner manufacturer property ranges. Overall lap-shear strength behavior of the four adhesives showed a similar pattern, with short-term reduction and subsequent increase in peak load values. However, ranking of adhesives varied with the metric used for comparison. Two of the four adhesives tested (Normac 900 and REMA SC 4000) showed overall better behavior, collectively considering immersion performance, lap-shear data and bonded paver interrogation. Lap-shear samples bonded with the REMA adhesive showed the best combination of final retained bond strength, 6-week average bond strength and bond failure mode. Only one paver (REMA SC4000) was noted to have no defects after immersion. This document details the testing performed and provides conclusions and recommendations. The testing suggests that SDU liner performance is highly dependent upon seam integrity, which collectively depends on a combination of adhesive properties, installation workmanship and inspection/quality control.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Effect of pore fluid chemistry on the mechanical behavior of a divalent compacted bentonite, an experimental and constitutive study

Ongoing research in isolating high-level nuclear waste and spent fuel has highlighted compacted bentonite as a suitable material for engineered barrier systems in deep geological repositories due to its extraordinary swelling and retention properties. This research focuses on the chemo-mechanical behavior of compacted bentonite exposed to different pore fluids with different concentrations and loading conditions. The study involves swelling pressure and compressibility experiments along with mineralogy analysis employing X-ray diffraction (XRD) and Cation exchange. The tests were conducted on BCV (a Mg/Ca- bentonite) compacted at a dry density of 1.48 ± .02 Mg/m 3 . An advanced chemical-mechanical constitutive model for unsaturated highly expansive clays was adopted to simulate the material response and better understand its behavior. The model is able to account for the main phenomena at both macro and microstructural levels and the interactions between them. The model successfully replicated experimental observations. The XRD analyses support the macroscopic observation, indicating that salinity impacts crystalline swelling as demonstrated by the reduction of basal spacing from 19.27 Å to 15.68 Å when the osmotic suction increases from 0 MPa to 33 MPa. The results suggested that the osmotic pressure generated by the concentration in the pore fluids promotes a reduction in swelling pressures, swelling strains, and crystalline swelling of clay minerals. Also, it affects the pre-consolidation stress and the compressibility of the compacted samples. In conclusion, it was also observed that both solution type and solution concentration impact the clay swelling pressure.

Chemo-mechanical constitutive model↗

Quantum communications work at SQMS

The Superconducting Quantum Materials and Systems (SQMS) Center is focused on advancing low-loss interconnectivity between quantum processing units (QPUs) to enable scalable quantum computing. In the short term, our goals include the development and optimization of 2D and 3D platforms with remotely entangled modules, refinement in microwave design and control schemes, and the achievement of high-fidelity quantum state transfer between superconducting quantum modules. Looking ahead, we aim to realize modular quantum computing with low-loss interconnects, maximize remote entanglement fidelity and implement robust quantum operations with error correction. We will leverage advanced microwave engineering and material science to optimize the performance of quantum interconnects and the coupling interfaces between the interconnects and the QPUs.

Vallières, André↗

Temperature-dependent microbial reactions by indigenous microbes in bentonite under Fe(III)- and sulfate-reducing conditions

Bentonite is a promising buffer material for constructing spent nuclear fuel (SNF) repositories. However, indigenous microbes in bentonite can be introduced to the repository and subsequent sealing of the repository develops anoxic conditions over time which may stimulate fermentation and anaerobic respiration, possibly affecting bentonite structure and SNF repository stability. Moreover, the microbial activity in the bentonite can be impacted by the heat generated from radionuclides decay. Therefore, to investigate the temperature effect on microbial activities in bentonite, we created microcosms with WRK bentonil (a commercial bentonite) using lactate as the electron donor, and sulfate and/or ferrihydrite (Fe(III)) as electron acceptors with incubation at 18 °C and 50 °C. Indigenous WRK microbes reduced sulfate and Fe(III) at both temperatures but with different rates and extents. Lactate was metabolized to acetate at both temperatures, but only to propionate at 18 °C during early-stage microbial fermentation. More Fe(III)-reduction at 18 °C but more sulfate-reduction at 50 °C was observed. Thermophilic and/or metabolically flexible microbes were involved in both fermentation and Fe(III)/ sulfate reduction. In conclusion, our findings illustrate the necessity of considering the influence of temperature on microbial activities when employing bentonite as an engineered buffer material in construction of SNF repository barriers.

59 BASIC BIOLOGICAL SCIENCES↗

A novel Mo-W interlayer approach for CVD diamond deposition on steel

Steel is the most widely used material in engineering for its cost/performance ratio and coatings are routinely applied on its surface to further improve its properties. Diamond coated steel parts are an option for many demanding industrial applications through prolonging the lifetime of steel parts, enhancement of tool performance as well as the reduction of wear rates. Direct deposition of diamond on steel using conventional chemical vapour deposition (CVD) processes is known to give poor results due to the preferential formation of amorphous carbon on iron, nickel and other elements as well as stresses induced from the significant difference in the thermal expansion coefficients of those materials. This article reports a novel approach of deposition of nanocrystalline diamond coatings on high-speed steel (M42) substrates using a multi-structured molybdenum (Mo) – tungsten (W) interlayer to form steel/Mo/Mo-W/W/diamond sandwich structures which overcome the adhesion problem related to direct magnetron sputtering deposition of pure tungsten. Surface, interface and tribology properties were evaluated to understand the role of such an interlayer structure. The multi-structured Mo-W interlayer has been proven to improve the adhesion between diamond films and steel substrates by acting as an effective diffusion barrier during the CVD diamond deposition.

36 MATERIALS SCIENCE↗

Adiabatic Heating in Modular Plasticity Models

Plastic deformations in metals are dissipative. Some fraction of the dissipated mechanical energy (plastic work) is converted into thermal energy and serves as a heat source. In cases where the heat cannot be readily transferred to the environment, the local temperature will increase thereby producing variations in mechanical behaviors associated with temperature-dependent properties (e.g. thermal softening due to decreasing yield strengths). This issue is often referred to as "adiabatic heating as an adiabatic temperature condition corresponds to the limiting case where no heat transfer takes place. The impact of converting plastic work into heat on the mechanical response of metals has been long studied. Nonetheless, it still remains an issue. For instance, with respect to ductile failure, the second Sandia Fracture Challenge noted that accounting for plastic heat generation was necessary for predictions under dynamic loading conditions. Furthermore, both experimental and modeling efforts continue to be pursued to better describe and understand the effect of plastic work conversion into heat on structural responses. Noting the need for capturing plastic work conversion into heat in structural analyses, a simple and fairly traditional representation of these responses has been added into existing modular plasticity models in the Library of Advanced Materials for Engineering (LAME). Here, these capabilities are briefly described with the underlying theory and numerical implementation discussed in Sections 2 and 3, respectively. Examples of syntax are given in Section 4 and some verification exercises are found in Section 5. Simple structural analyses are presented in Section 6 to briefly highlight the impact of these features and concluding thoughts are given.

36 MATERIALS SCIENCE↗

DuraMAT: Building a Consortium to Accelerate the Photovoltaic Module Reliability Learning Cycle

Durable and reliable photovoltaic (PV) modules are critical to enabling an efficient transition to sustainable energy generation. The rate at which new module designs and materials are developed and deployed currently outpaces the rate at which we can identify failure mechanisms and understand degradation rates. Increasing the service life of PV modules, and our ability to predict performance over time, requires more durable materials and designs, better durability testing, more extensive material characterization, robust modeling, and methods to cross-examine historical performance data to extract meaningful results. This is a multidisciplinary challenge that requires expertise from a broad range of fields and, therefore, benefits significantly from a collaborative approach. In this Perspective, we outline the approach taken by the Durable Module Materials Consortium (DuraMAT), present a few case studies where our approach was successful, and provide an outlook on where this approach might be applied as the PV technology landscape continues to rapidly evolve. Published by the American Physical Society 2024

14 SOLAR ENERGY↗

Mississippi State University Cooling, Heating, and Power (Micro-CHP) and Bio-Fuel Center

Between 2008 and 2014, the U.S. Department of Energy funded the MSU Micro-CHP and Bio-Fuel Center located at Mississippi State University. The overall objective of this project was to enable micro-CHP (micro-combined heat and power) utilization, to facilitate and promote the use of CHP systems and to educate architects, engineers, and agricultural producers and scientists on the benefits of CHP systems. Therefore, the work of the Center focused on the three areas: CHP system modeling and optimization, outreach, and research. In general, the results obtained from this project demonstrated that CHP systems are attractive because they can provide energy, environmental, and economic benefits. Some of these benefits include the potential to reduce operational cost, carbon dioxide emissions, primary energy consumption, and power reliability during electric grid disruptions. The knowledge disseminated in numerous journal and conference papers from the outcomes of this project is beneficial to engineers, architects, agricultural producers, scientists and the public in general who are interested in CHP technology and applications. In addition, more than 48 graduate students and 23 undergraduate students, benefited from the training and research performed in the MSU Micro-CHP and Bio-Fuel Center. The project scope consisted of six separate, but related areas: 1. Micro-CHP modeling - Computational simulations and verification/validation studies of selected models for technical and economic viability. 2. Fuel flexibility in micro-CHP applications – Demonstrating and quantifying the operation of micro-CHP systems on alternative fuels. 3. Outreach activities – Providing provide educational materials for engineers and architects and conducting outreach seminars, workshops, and demonstrations for engineers and architects as well as for more general audiences. 4. Biofuel and opportunity fuel processing and utilization – Determining the processing requirements and feasibility to utilize biofuels and disaster debris for micro-CHP systems. 5. CHP Systems Optimization – Optimization of internal combustion and Stirling engines integrated with heat recovery systems for CHP operation. 6. Distributed Generation and Grid Interconnection – Developing requirements and control systems for interconnection of micro-CHP systems with the electrical grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗