The synergistic effects of slip ring-brush design and materials
Synergistic effects of slip ring-brush design and fabrication for vacuum application determined by friction, wear, electrical noise, and dielectric strength data
Lewis, N. E.↗
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Results for “Materials Design”
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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MORPHOLOGICAL AND RADIATION DAMAGE INFORMED THERMAL PROPERTY PREDICTION IN SCALED GEOMETRIC DOMAINS
This proposed work has the potential to rewrite the way the nuclear industry investigates new fuel and nuclear material designs. The current rubric of nuclear material design has myriad steps in the process, and while certain physics are modeled accurately, each step must be connected in order to obtain an entire description of the process. At present, neutronic, thermal, microstructural, fission product chemistry and migration, and radiation defect analysis (hereafter referred to together as “combined analysis”) are performed, albeit separately. There is no existing method which combines these physics in an attempt to understand the natural interactions between these phenomena. Consequently, the timeline for design, fabrication, experiment, validation, and licensing can take years. A disruptive approach is required to accelerate the development of new technology. This proposed undertaking creates a validated computational framework, generating a new microscopic-to-macroscopic methodology yielding thermal property predictions for nuclear fuels and materials at an engineering spatial scale.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Development of an Unstructured, Three-Dimensional Material Response Design Tool
A preliminary verification and validation of a new material response model is presented. This model, Icarus, is intended to serve as a design tool for the thermal protection systems of re-entry vehicles. Currently, the capability of the model is limited to simulating the pyrolysis of a material as a result of the radiative and convective surface heating imposed on the material from the surrounding high enthalpy gas. Since the major focus behind the development of Icarus has been model extensibility, the hope is that additional physics can be quickly added. The extensibility is critical since thermal protection systems are becoming increasing complex, e.g. woven carbon polymers. Additionally, as a three-dimensional, unstructured, finite-volume model, Icarus is capable of modeling complex geometries as well as multi-dimensional physics, which have been shown to be important in some scenarios and are not captured by one-dimensional models. In this paper, the mathematical and numerical formulation is presented followed by a discussion of the software architecture and some preliminary verification and validation studies.
Material Response Model↗
Development of a Three-Dimensional, Unstructured Material Response Design Tool
A preliminary verification and validation of a new material response model is presented. This model, Icarus, is intended to serve as a design tool for the thermal protection systems of re-entry vehicles. Currently, the capability of the model is limited to simulating the pyrolysis of a material as a result of the radiative and convective surface heating imposed on the material from the surrounding high enthalpy gas. Since the major focus behind the development of Icarus has been model extensibility, the hope is that additional physics can be quickly added. This extensibility is critical since thermal protection systems are becoming increasing complex, e.g. woven carbon polymers. Additionally, as a three-dimensional, unstructured, finite-volume model, Icarus is capable of modeling complex geometries. In this paper, the mathematical and numerical formulation is presented followed by a discussion of the software architecture and some preliminary verification and validation studies.
Thermal Protection System↗
Mapping Thermal Conductivity at the Atomic Scale: A Step toward the Thermal Design of Materials
We describe a spatial decomposition of the thermal conductivity, termed site-projected thermal conductivity, which quantifies the thermal conduction activity at each atomic site—a critical parameter for the thermal design of materials. The method is based on the Green–Kubo formula and the harmonic approximation and requires the force-constant and dynamical matrices, as well as a relaxed structural model. Throughout the study, it uses high quality models previously tested and compared to many experiments. It discusses the method and underlying approximations for amorphous silicon, carries the detailed analysis for amorphous silicon, and then examines an amorphous-crystal silicon interface and representative carbon materials. This study identifies the sites and local structures that reduce heat transport, and quantify these (estimate the spatial range) over which these “thermal defects” are effective. It identifies filamentary structures in the amorphous silicon network which impact heat transport and electronic structure (the Urbach edge) and electronic transport.
36 MATERIALS SCIENCE↗
Mixed Enthalpy–Entropy Descriptor for the Rational Design of Synthesizable High-Entropy Materials Over Vast Chemical Spaces
The practically unlimited high-dimensional composition space of high-entropy materials (HEMs) has emerged as an exciting platform for functional material design and discovery. However, the identification of stable and synthesizable HEMs and robust design rules remains a daunting challenge. Here, we propose a mixed enthalpy–entropy descriptor (MEED) that enables highly efficient, robust, high-throughput prediction of synthesizable HEMs across vast chemical spaces from first-principles. The MEED is based on two parameters: the relative formation enthalpy with respect to the most stable competing compound and the spread of the point-defect formation energy spectrum. The former measures the relative synthesizability of an HEM to its most stable competing phase, going beyond the conventional thermodynamic understanding. Further, the latter gauges the relative entropy forming ability of an HEM, entailing no sampling over numerous alloy configurations. By applying the MEED to two structurally distinct representative material systems (i.e., 3D rocksalt carbides and 2D layered sulfides), we not only successfully identify all experimentally reported HEMs within these systems but also reveal a cutoff criterion for assessing their relative synthesizability within each system. By the MEED, tens of new high-entropy carbides and 2D high-entropy sulfides are also predicted, which have the potential for a wide variety of applications such as coating in aerospace devices, energy conversion and storage, and flexible electronics.
36 MATERIALS SCIENCE↗
Inverse Design of Materials with Lab Automation and AI-driven Experimentation
Explore the source record for details and available documents.
automated lab↗
Taguchi method of experimental design in materials education
Some of the advantages and disadvantages of the Taguchi Method of experimental design as applied to Materials Science will be discussed. This is a fractional factorial method that employs the minimum number of experimental trials for the information obtained. The analysis is also very simple to use and teach, which is quite advantageous in the classroom. In addition, the Taguchi loss function can be easily incorporated to emphasize that improvements in reproducibility are often at least as important as optimization of the response. The disadvantages of the Taguchi Method include the fact that factor interactions are normally not accounted for, there are zero degrees of freedom if all of the possible factors are used, and randomization is normally not used to prevent environmental biasing. In spite of these disadvantages it is felt that the Taguchi Method is extremely useful for both teaching experimental design and as a research tool, as will be shown with a number of brief examples.
Weiser, Martin W.↗
Advanced Aerospace Materials by Design
The advances in the emerging field of nanophase thermal and structural composite materials; materials with embedded sensors and actuators for morphing structures; light-weight composite materials for energy and power storage; and large surface area materials for in-situ resource generation and waste recycling, are expected to :revolutionize the capabilities of virtually every system comprising of future robotic and :human moon and mars exploration missions. A high-performance multiscale simulation platform, including the computational capabilities and resources of Columbia - the new supercomputer, is being developed to discover, validate, and prototype next generation (of such advanced materials. This exhibit will describe the porting and scaling of multiscale 'physics based core computer simulation codes for discovering and designing carbon nanotube-polymer composite materials for light-weight load bearing structural and 'thermal protection applications.
Srivastava, Deepak↗
Evaluation of materials and design modifications for aircraft brakes
A test program is described which was carried out to evaluate several proposed design modifications and several high-temperature friction materials for use in aircraft disk brakes. The evaluation program was carried out on a specially built test apparatus utilizing a disk brake and wheel half from a small het aircraft. The apparatus enabled control of brake pressure, velocity, and braking time. Tests were run under both constant and variable velocity conditions and covered a kinetic energy range similar to that encountered in aircraft brake service. The results of the design evaluation program showed that some improvement in brake performance can be realized by making design changes in the components of the brake containing friction material. The materials evaluation showed that two friction materials show potential for use in aircraft disk brakes. One of the materials is a nickel-based sintered composite, while the other is a molybdenum-based material. Both materials show much lower wear rates than conventional copper-based materials and are better able to withstand the high temperatures encountered during braking. Additional materials improvement is necessary since both materials show a significant negative slope of the friction-velocity curve at low velocities.
Ho, T. L.↗
Evaluations of candidate encapsulation designs and materials for low-cost silicon photovoltaic arrays
Three encapsulation designs for silicon photovoltaic arrays based on cells with silk-screened Ag metallization have been evaluated: transparent polymeric coatings over cells laminated between two films or sheets of polymeric materials; cells adhesively bonded to a glass cover with a polymer pottant and a glass or other substrate component. Silicone and acrylic coatings were assessed, together with acrylic sheet, 0.635 mm fiberglass-reinforced polyester sheet, 0.102 mm polycarbonate/acrylic dual-layer film, 0.127 mm fluorocarbon film, soda-lime glass, borosilicate glass, low-iron glass, and several adhesives. The encapsulation materials were characterized by light transmittance measurements, determination of moisture barrier properties and bond strengths, and by the performance of cells before and after encapsulation. Silicon and acrylic coatings provided inadequate protection. Acrylic and fluorocarbon films displayed good weatherability and acceptable optical transmittance. Borosilicate, low-iron and soda-lime-float glasses were found to be acceptable candidate encapsulants for most environments.
Gaines, G. B.↗
Flammability Testing Configuration and Approach of Barrier Material Assemblies Designed for Space Flight Applications
The NASA Engineering and Safety Center (NESC) partnered with Materials and Processes and Flammability subject matter experts from the Johnson Space Center, White Sands Test Facility, and the Marshall Space Flight Center to design and develop a test for evaluating the effectiveness of material assemblies to serve as a barrier between a potential cabin ignition source based on typical flammable materials in the habitable volume of spacecraft.
Morgan Abney↗
Using Magnetic Proximity Effects to Build Designer Quantum Materials [Slides]
The properties of naturally occurring materials are not necessarily commensurate with those needed for next-generation devices. Counter to conventional thought, we find magnetic proximity effects can be asymmetric. In fact, our experimental data and DFT calculations indicate this effect is universal, with material and heterostructure specificity being vital for predictive modeling. This work suggests routes towards rational design of device component materials via selective control over spin valley states.
36 MATERIALS SCIENCE↗
Investigation of lightweight designs and materials for LO2 and LH2 propellant tanks for space vehicles, phase 1
Design, analysis, and fabrication studies were performed on nonintegral (suspended) tanks using a representative space tug design. The LH2 and LO2 tank concept selection was developed. Tank geometries and support relationships were investigated using tug design propellant inertias and ullage pressures, then compared based on total tug systems effects. The tank combinations which resulted in the maximum payload were selected. Tests were conducted on samples of membrane material which was processed in a manner simulating production tank fabrication operations to determine fabrication effects on the fracture toughness of the tank material. Fracture mechanics analyses were also performed to establish a preliminary set of allowables for initial defects.
Source record↗
Tardigrade (NA-22 Quarterly Report)
Tardigrade is an effort to create tunable thermal expansion materials for use in a ruggedized lens housing. This requires new computational algorithms to model and predict thermal performance of meta-materials composed of multiple structured base materials and void-space, along with matching and developing 3D print technology to demonstrate the housing. The project is 24 months into the 36-month plan. We are continuing effort on 3 main technical thrusts: material design algorithm development (transitioning into full 3D design), multi-material additive manufacturing process exploration, and sensor/optics design and engineering. In the last quarter, we have focused on developing the code for 3D Topology Optimization, building data sets for 2D autoencoder training, and finishing lens housing engineering for the microbolometer based test sensor. We are exploring 2 potential multi-material AM technologies, a polymer-based technique in development at LLNL and a metal SLS system produced by Aconity, called the AeroSint deposition head.
36 MATERIALS SCIENCE↗
Tardigrade (Quarterly Report Q1 FY2022)
Tardigrade is an effort to create tunable thermal expansion materials for use in a ruggedized lens housing. This requires new computational algorithms to model and predict thermal performance of meta-materials composed of multiple structured base materials and void-space, along with matching and developing 3D print technology to demonstrate the housing. The project is 27 months into the 36-month plan. We are continuing effort on 3 main technical thrusts: material design algorithm development (transitioning into full 3D design), multi-material additive manufacturing process exploration, and sensor/optics design and engineering. In the last quarter, we have focused on developing the code for 3D Topology Optimization, building data sets for 2D autoencoder training, and finishing lens housing engineering for the microbolometer based test sensor. We are exploring 2 potential multi-material AM technologies, a polymer-based technique in development at LLNL and a metal SLS system produced by Aconity, called the AeroSint deposition head.
36 MATERIALS SCIENCE↗
A Case Study of Multimodal, Multi-institutional Data Management for the Combinatorial Materials Science Community
Although the convergence of high-performance computing, automation, and machine learning has significantly altered the materials design timeline, transformative advances in functional materials and acceleration of their design will require addressing the deficiencies that currently exist in materials informatics, particularly a lack of standardized experimental data management. The challenges associated with experimental data management are especially true for combinatorial materials science, where advancements in automation of experimental workflows have produced datasets that are often too large and too complex for human reasoning. The data management challenge is further compounded by the multimodal and multi-institutional nature of these datasets, as they tend to be distributed across multiple institutions and can vary substantially in format, size, and content. Furthermore, modern materials engineering requires the tuning of not only composition but also of phase and microstructure to elucidate processing–structure–property–performance relationships. To adequately map a materials design space from such datasets, an ideal materials data infrastructure would contain data and metadata describing (i) synthesis and processing conditions, (ii) characterization results, and (iii) property and performance measurements. In this work, we present a case study for the low-barrier development of such a dashboard that enables standardized organization, analysis, and visualization of a large data lake consisting of combinatorial datasets of synthesis and processing conditions, X-ray diffraction patterns, and materials property measurements generated at several different institutions. While this dashboard was developed specifically for data-driven thermoelectric materials discovery, we envision the adaptation of this prototype to other materials applications, and, more ambitiously, future integration into an all-encompassing materials data management infrastructure.
36 MATERIALS SCIENCE↗
Computational Materials Techniques for Thermal Protection Solutions: Materials and Process Design
Integrated computational materials techniques that span the atomistic and continuum scales have the potential to aid the design and manufacturing of thermal protection materials. Two cases demonstrating the practical application of these methods are discussed. Case one examines the selection of a high temperature coating for carbon/carbon, with the target application being a solar thermal propulsion heat exchanger. The performance of various refractory metal and metal-carbide coatings is characterized considering extreme thermal (3500 K) and chemical (hydrogen flows) conditions. The recession rate, hydrogen leakage, and likelihood of mechanical failure are characterized and provide directions for further experimental investigation. Case two examines the process optimization of a heat shield material composed of a woven silica fiber preform and cyanate ester resin. Frequently, internal voids were found to be present in this composite after the resin infusion and curing stages of manufacturing. Using the manufacturing conditions, computations indicate that both water adsorption and resin cure shrinkage are contributing factors to void formation. The results suggest an alternative process configuration for curing that would mitigate voids.
thermal protection↗