Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “3D materials science”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Modeling of Sagging for 3D Printed Layers During the Curing Process

Here, a printed layer of silica-enforced poly(dimethylsiloxane)-co-(diphenylsiloxane) is modeled as a two-phase system consisting of air and polymer with an interface set up during the printing process. The structural geometry changes mostly due to the action of surface tension, while all material properties are strongly temperature dependent. Polymer flow is described using equations of the extended Herschel–Bulkley model, with parameters strongly dependent on temperature and degree of curing. Parameters of the model are determined using flow sweep measurements and separate experiments with vertical structure sagging at different temperatures. The curing process is modeled using dependencies between the curing rate, degree of curing, and temperature obtained in studies by differential scanning calorimetry. The developed model is used for simulations of printed structure deformations with different initial and boundary conditions.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Coupling CFD and Material Response for Analysis of Mars Entry

In computing the response of an ablating thermal protection system during atmospheric entry, the aerothermal environment and material response are generally computed separately with a blowing correction term in the material response model to account for the blowing of char and pyrolysis gases [1]. In this work, we apply a coupled approach in which pyrolysis blowing gases, computed in the PATO material response code [2], are used with a blowing boundary condition in the DPLR hypersonic CFD code [3]. This leads to an iterative method in which blowing products from PATO are input into DPLR to update surface heating estimates. The full iterative method, with the addition of radiative heating estimates using the NEQAIR radiation solver [4], is shown in Fig. 1. The method is demonstrated on a sphere case with the environment and material properties based on the Mars Science Laboratory entry. Future work includes utilizing this method in computing full 3D material response during the Mars 2020 entry.

Heat Transfer↗
NASA NTRSDate not supplied

Coupling CFD and Material Response for Analysis of Mars Entry

In computing the response of an ablating thermal protection system during atmospheric entry, the aerothermal environment and material response are generally computed separately with a blowing correction term in the material response model to account for the blowing of char and pyrolysis gases. In this work, we apply a coupled approach in which pyrolysis blowing gases, computed in the PATO material response code, are used with a blowing boundary condition in the DPLR hypersonic CFD code. This leads to an iterative method in which blowing products from PATO are input into DPLR to update surface heating estimates. The full iterative method, with the addition of radiative heating estimates using the NEQAIR radiation solver, is shown in Fig. 1. The method is demonstrated on a sphere case with the environment and material properties based on the Mars Science Laboratory entry. Future work includes utilizing this method in computing full 3D material response during the Mars 2020 entry.

Ablation↗
DOE OSTI2022

Presence of Delocalized Ti 3d Electrons in Ultrathin Single-Crystal SrTiO 3

Strontium titanate (STO), with a wide spectrum of emergent properties such as ferroelectricity and superconductivity, has received significant attention in the community of strongly correlated materials. In the strain-free STO film grown on the SrRuO 3 buffer layer, the existing polar nanoregions can facilitate room-temperature ferroelectricity when the STO film thickness approaches 10 nm. Here we show that around this thickness scale, the freestanding STO films without the influence of a substrate show the tetragonal structure at room temperature, contrasting with the cubic structure seen in bulk form. Further, the spectroscopic measurements reveal the modified Ti-O orbital hybridization that causes the Ti ion to deviate from its nominal 4+ valency (3d o configuration) with excess delocalized 3d electrons. Additionally, the Ti ion in TiO 6 octahedron exhibits an off-center displacement. The inherent symmetry lowering in ultrathin freestanding films offers an alternative way to achieve tunable electronic structures that are of paramount importance for future technological applications.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

3D Material Response of the MSL Heatshield Using NuSil-Coated PICA

The Mars Science Laboratory (MSL) was protected during its atmospheric entry by an instrumented heatshield that used NASA's Phenolic Impregnated Carbon Ablator (PICA) material [1]. PICA is a lightweight carbon fiber/polymeric resin material that offers outstanding performance for protecting probes during planetary entry. Data from the Mars Entry Descent and Landing Instrument (MEDLI) suite on MSL offers unique in-flight validation data for models of material response and atmospheric entry. MEDLI recorded, among other things, time-resolved in-depth temperature data of PICA using thermocouple sensors assembled in the MEDLI Integrated Sensor Plugs (MISP) [2]. A space-grade silicone-based coating commercially known as NuSil CV-1144-0 [3] was applied to the entire MSL heatshield, including the MEDLI plugs, to mitigate the spread of dust from PICA. Modeling the thermal response of PICA-NuSil (PICA-N) system is still an open challenge. Ground testing of PICA-N models exhibited surface temperature jumps of the order of 150 K due to oxide scale formation and sub-sequent NuSil burn-off. It is therefore critical to include a validated model for the material response of the coating in engineering codes. A test campaign has been conducted at the NASA’s Langley HyMETS [4] facility to screen the response of PICA-N and gather detailed data on its behavior [5]. A first model of PICA-N thermal response has been developed using the Hy-METS experiments [6]. The objective of this work is to analyze the material response of the latest PICA-N model compared to the engineering model used to simulate the entry of MSL. The environment and material response around the MSL aeroshell during Mars atmospheric entry is simulated using a collection of tools. The Direct Simulation Monte Carlo SPARTA code [7] is used in the rarefied regime, the Data Parallel Line Relaxation (DPLR) code [8] is used in the continuum regime and radiative heating conditions are provided by the Nonequilibrium air radiation (NEQAIR) code [9] to estimate the environmental conditions. The thermal response inside the material is computed using the Porous material Analysis Toolbox based on Open-FOAM (PATO) [10,11,12]. Thermodynamic and chemistry properties are estimated using the Mutation++ library [13]. The approach implemented in PATO as a first cut PICA-N thermal response model is outlined in Figure 1. While the recession is less than the coating thickness, the Surface mass and energy balance Boundary Condition (SBC) uses the NuSil B’ tables. Once the recession removes the coating, the usual PICA B’ tables are used for the SBC. The B’ tables are computed using an equilibrium solver implemented in Mutation++, given the temperature, pressure, blowing rate, composition of the pyrolysis and environment gases, and the condensed species at the surface. Preliminary results of the 3D material response of the MSL heat-shield at the peak heating (80 sec after Entry Interface) are shown in Figure 2. Current NASA’s mission to Mars, Mars 2020, used the spare heatshield of MSL for thermal protection during entry, descent, and landing. In preparation for Mars 2020 post-flight analysis, the PATO high-fidelity material response capability was benchmarked against flight data from MEDLI. This effort represents an important milestone toward the development of validated predictive capabilities for designing thermal protection systems for planetary probes. This bench-marking is awaiting the final release of the MEDLI-2 data.

Aerospace↗
NASA NTRSDate not supplied

3D Material Response of the MSL Heatshield Using NuSil-Coated PICA

The Mars Science Laboratory (MSL) Entry, Descent and Landing Instrumentation (MEDLI) collected in-flight data largely used by the ablation community to verify and validate physics-based models for the response of the Phenolic Impregnated Carbon Ablator (PICA) material [1-4]. MEDLI data were recently used to guide the development of NASA’s high-fidelity material response models for PICA implemented in the Porous material Analysis Toolbox based on OpenFOAM (PATO) software [5-6]. A follow-up instrumentation suite, MEDLI2, was used for the Mars 2020 mission [7] after the large scientific impact of MEDLI. Recent analyses performed as part of MEDLI2 development drew the attention to significant effects of a protective coating to the aerothermal response of PICA. NuSil, a silicone-based overcoat sprayed onto the MSL heatshield, including the MEDLI plugs, as contamination control, is currently neglected in PICA ablation models. To mitigate the spread of phenolic dust from PICA, NuSil was applied to the entire MSL and Mars 2020 heatshields, including the MEDLI and MEDLI2 plugs. Ground testing of PICA-NuSil (PICA-N) models exhibited surface temperature jumps due to oxide scale formation and subsequent NuSil burn- off. It is therefore critical to include a model for the aerothermal response of the coating in ongoing code development and validation efforts. Figure 1 illustrates the PICA-N model implemented in PATO with a test case that shows a temperature jump and a change of recession rate at the wall after 20 seconds of simulation when the NuSil coating was fully removed.

Aerospace↗
DOE OSTI2020

Processing and properties of SiC composites made via binder jet 3D printing and infiltration and pyrolysis of preceramic polymer

The effect of polymer infiltration and pyrolysis (PIP) cycles with polycarbosiloxane on the microstructure, air leak rate, and properties of SiC composites manufactured by a combination of binder jet 3D printing and PIP are reported. The density, Young’s modulus and flexural strength of disk-shaped components increased with the number of PIP cycles. In the case of density, it increased from 2.05 g/cm 3 in one PIP cycle to 2.33 g/cm 3 after three PIP cycles, while values of flexural strength and Young’s modulus at room temperature after three PIP cycles reached 66.8 ± 2.5 MPa and 69.5 ± 2.8 GPa, respectively. Conversely, the air leak rate was found to decrease with number of PIP cycles, and it reached a value of 4 mbar-liter/s after three cycles. The instantaneous coefficient of thermal expansion of the composite was found to change minimally with the number of PIP cycles and had a value of 4 ± 1.2 ppm/°C between 200°C and 1,000°C. Thermal conductivity was found to increase with number of PIP cycles and to decrease with temperature. For example, after 3 PIP cycles it was found to change from 6.72 ± 0.08 to 6.98 ± 0.08 W/mK at 25°C and 7.36 ± 0.08 to 7.96 ± 0.08 W/mK at 300°C. These values were lower than those of crystalline SiC because of the amorphous nature of the matrix and the presence of pores and cracks.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Toward Multiscale, Multimaterial 3D Printing

Biological materials and organisms possess the fundamental ability to self-organize, through which different components are assembled from the molecular level up to hierarchical structures with superior mechanical properties and multifunctionalities. These complex composites inspire material scientists to design new engineered materials by integrating multiple ingredients and structures over a wide range. Additive manufacturing, also known as 3D printing, has advantages with respect to fabricating multiscale and multi-material structures. The need for multifunctional materials is driving 3D printing techniques toward arbitrary 3D architectures with the next level of complexity. In this paper, the aim is to highlight key features of those 3D printing techniques that can produce either multiscale or multimaterial structures, including innovations in printing methods, materials processing approaches, and hardware improvements. Several issues and challenges related to current methods are discussed. Ultimately, the authors also provide their perspective on how to realize the combination of multiscale and multimaterial capabilities in 3D printing processes and future directions based on emerging research.

36 MATERIALS SCIENCE↗
DOE OSTI2020

In Situ Analysis of Laser Powder Bed Fusion Using Simultaneous High-Speed Infrared and X-ray Imaging

Laser powder bed fusion is a metal additive manufacturing technique that has received significant scientific and industrial attention over the past decades. However, the quality and reproducibility of parts manufactured by this technique is still a problem. Overcoming this issue requires an understanding of multiple complex physical phenomena which occur simultaneously during the process. Here, we illustrate a powerful new technique which synchronizes high-speed x-ray imaging with high-speed infrared imaging to study laser powder bed fusion processes in real time. Using this technique, we demonstrate the simultaneous observation of multiple phenomena including three-dimensional melt pool visualization, vapor plume dynamics, spatter formation, thermal history, and point cooling rates. The paired observation of these dynamic phenomena is critical to understanding the fundamentals of laser powder bed fusion, and the overall impact of process parameters on print quality.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Architecting the Third Dimension of Electrochemical Energy Storage

Three-dimensional (3D) architectural design has emerged as a powerful strategy to push electrochemical energy storage (EES) devices beyond the intrinsic limitations of conventional two-dimensional (2D) electrodes. While planar architectures enable high packing density and mature manufacturing, they suffer from limited ion transport and low active-material loading. In contrast, 3D architectures introduce low-tortuosity networks and high surface area that enhance charge and mass transport while supporting thick, high mass-loading electrodes. However, their practicality remains hindered by challenges in volumetric density, mechanical stability, and large-scale manufacturability. Here, this Perspective examines the key evaluation and design principles that govern 3D device performance. We discuss the fundamental trade-offs between porosity, volumetric density, and mechanical stability that shape 3D design and highlight emerging strategies for integrating materials engineering, structural optimization, device integration, computational modeling, and scalable manufacturing. By aligning structural functionality with manufacturability, 3D architectures can evolve from laboratory prototypes to commercially viable energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2025

Sequential multidimensional heteroepitaxy of chalcogen-sharing 3D ZnSe and 2D MoSe 2 with quasi van der Waals interface engineering

Two-dimensional (2D) materials are emerging as a promising platform for epitaxial growth, largely free from the constraints of lattice constant and thermal expansion coefficient mismatches. Among them, transition metal dichalcogenides (TMDs), known for their superior electrical properties, are ideal for ultrathin semiconductor applications. Their unique epitaxial characteristics enable seamless integration with 3D materials, facilitating the development of gate stacks and heterojunction devices. In this regard, developing a process for growing high-quality 3D epitaxial materials before and after the growth of 2D TMDs and understanding the 2D/3D interface are crucial. This study demonstrates the sequential growth of fully epitaxial ZnSe/MoSe 2 /ZnSe heterostructures using metal-organic chemical vapor deposition. ZnSe and MoSe 2 , sharing chalcogen elements, enable large-area quasi van der Waals epitaxy with sharp interfaces without intermediate phase. Multiscale analysis involving transmission electron microscopy and density functional theory calculation reveals lattice commensurability, van der Waals gaps, termination, and interfacial reconstruction. Understanding these interactions is crucial for advancing multidimensional integration of 2D and 3D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Science and Technology Review (May 2021)

Lawrence Livermore has been on the forefront of cancer research for over 60 years. Early interest in cancer statistics stemmed from the nature of work, particularly how radiation affects humans. The Department of Energy funded research to investigate the effects of radiation on workers with long term exposure. This research quickly morphed into a wider breadth of cancer research topics, including the use of advanced computational models to investigate mutations in genes. Livermore is regarded as a leader in cancer research, from the Human Genome Center to its participation in the National Cancer Institute’s “Moonshot” project. The highly interdisciplinary Laboratory unites research in one more example: bringing together cancer biology, 3D printing, high-performance computing, big data, and materials science to address this pressing medical challenge.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Advances in Design Capabilities for Planetary Missions from the NASA Entry Systems Modeling and Instrumentation Portfolio

The Entry Systems Modeling project (ESM) is supported by both the NASA Space Technology and the Science Mission Directorates and focuses on developing simulation tools and validated models for characterizing the performance of entry systems tailored to planetary destinations across the Solar System. ESM is organized into six technical capability areas that together address all relevant factors related to spacecraft entry, as well as some aspects of descent: Thermal Protection System (TPS) Materials; Aerothermodynamics; Entry & Descent Vehicle Dynamics; Guidance, Navigation, and Control; Vehicle Systems Analysis; and Advanced Tools and Numerical Methods. Development within the capability areas is undertaken explicitly with a focus on transition and infusion to science missions, human exploration missions, and commercial space activities. The present talk details developments that specifically impact science missions, including simulation tool capabilities that aid in mission design and model development to understand entry system performance at a given destination. Examples of the successful infusion and transition of such project outcomes to science missions also are provided. Several simulation tool development efforts within ESM have resulted in new design capabilities for missions. One such outcome is improved toolsets for mission trajectory and concept of operations design. Specifically, an initiative to couple a leading tool for entry, ascent/descent, and orbital trajectory optimization (Program to Optimize Simulated Trajectories II or POST2) to those used within the Agency for interplanetary trajectory optimization (Copernicus and Monte) has made substantial progress, with the outcomes to date promising to allow efficient trajectory optimization across mission phases. Additionally, toolchains for the evaluation of vehicle performance during entry and descent have been developed that allow assessment of multi-dimensional aeroheating on detailed vehicle geometries, characterization of deployment and inflation of parachutes, and assessment of vehicle dynamic stability during descent. These capabilities are achieved by coupling diverse sets of physics together – material response, computational fluid dynamics, radiation, and vehicle dynamics – to suitably describe complex entry and descent phenomena. Several model development and validation efforts for specific destinations and entry regimes also are underway within the ESM project. For instance, new experimental capabilities to validate radiation models at low densities/high altitudes recently have been established with project support, specifically the Low-Density Shock Tube (LDST) at the NASA Ames Research Center Electric Arc Shock Tube (EAST) facility. The LDST is being leveraged to develop improved models of shock layer kinetics and radiation in Titan atmospheres, while future studies will be conducted in the LDST and the existing high velocity shock tube to provide validation data for radiation models of Venus, Ice Giants, and Mars atmospheres. Models describing the aerothermal and thermo-structural performance of Thermal Protection System (TPS) materials has been another focus, with multiscale modeling activities on-going for the two leading TPS materials applicable to a range of entry conditions and science missions: the Phenolic-Impregnated Carbon Ablator (PICA) and woven materials like 3D Mid-Density Carbon Phenolic (3MDCP). A continual effort is made to infuse and transition outcomes from ESM simulation tool and model development activities into relevant science missions. Significant progress has been made on this front, with missions such as Dragonfly, DAVINCI, and Mars Missions benefitting from project outcomes. The groundwork also is being laid to provide insights into forward looking missions to Gas/Ice Giants as well as for potential sample returns.

Justin Haskins↗
DOE OSTI2022

Concurrent Pressure-Induced Spin-State Transitions and Jahn–Teller Distortions in MnTe

Cooperative Jahn-Teller (JT) distrotion accompanied by electromagnetic-lattice coupling plays a crucial role in numerous important phenomena in materials science. The JT distortion occurring in high-spin 3d 4 and 3d 9 configurations in octahedral complexes is common, but similarly large distortion due to lifting the degeneracy of t 2g orbits has so far seldomly observed. Here we report the discovery of pressure-induced cooperative JT effect coupled with a large volume-collapse of ~12.8% and a magnetic moment collapse from S = 5/2 to S = 1/2 at ~20.9 GPa in MnTe. The first-principles calculation indicates that weakened p-d hybridization and enhanced d states localization result in lifting t 2g orbital degeneracy in Mn 2+ (d 5 ) which induced a cooperative JT effect-triggered electromagnetic-lattice coupling. Furthermore, these findings suggest a new mechanism for the cooperative JT distortion via pressure induced ligand distortion in antiferromagnetic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Hybrid epoxy–acrylate resins for wavelength-selective multimaterial 3D printing

Structures in nature have evolved to combine hard and soft materials in precise 3D arrangements, which imbues bulk properties and functionality that remain elusive to mimic synthetically. However, the potential for biomimetic analogs to seamlessly interface hard materials with soft surfaces for applications ranging from robotics and sealants to medical devices (e.g., prosthetics and wearable health monitors) has driven the demand for innovative chemistries and manufacturing approaches. Herein, we unveil a liquid resin for rapid, high resolution digital light processing (DLP) 3D printing of multimaterial objects with an unprecedented combination of strength, elasticity, and resistance to aging. Two enabling discoveries are the use of a covalently bound (hybrid) epoxy-acrylate monomer that precludes plasticization of soft domains and a wavelength-selective photosensitizer that accelerates cationic curing for hard domains. Using dual projection for multicolor DLP 3D printing (UV and violet light), several bioinspired metamaterial structures are fabricated, including one with hard springs embedded in a soft cylinder to adjust compressive behavior and a detailed knee joint featuring “bones” and “ligaments” for smooth motion. Lastly, the application of this system to facilitate selective stretching for electronic devices is demonstrated with a proof-of-concept device.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Topological carbon materials: A new perspective

Carbon has numerous one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) allotropic structures. The study of carbon materials has long been a major focus of material sciences and condensed matter physics. Recently, a number of topological semi-metallic carbon allotropes with vastly different topological phases have been predicted from first-principles, showing exceptionally clean and robust topological properties near the Fermi surfaces. Here, we provide a brief summary of the development of carbon allotropes from 1D to 3D. Then, we discuss topological properties of pure carbon materials, despite their exceedingly small spin–orbit coupling. Instead, the nearest-neighbor p z orbit interaction has been identified as the origin for the non-trivial topological properties, which vary due to different p z connectivity: zigzag, armchair, or pentagonal, as well as the interactions among further neighboring atoms. Next, we consider possible expansions of the topological properties of carbon materials to other light-element materials such as boron. Finally, we discuss future prospects in light of experimental feasibility and the recent surge in pursue of exotic carbon physics due to twisted graphene, which may also be viewed as a subset of the topological physics involving sp 2 /p z carbon.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Radiographic Imaging and Tomography

Radiographic imaging and tomography (RadIT) come in many flavors such as X-ray imaging and tomography (IT), proton IT, neutron IT, muon IT, neutrino IT, etc. We identify five RadIT themes: Physics, Sources, Detectors, Methods, and Data Science, which are integral parts of image interpretation and three-dimensional (3D) tomographic reconstruction. Traditionally, RadIT have been driven by medicine, non-destructive testing, material sciences, and security applications. The latest thrusts of growth come from automation, machine vision, additive manufacturing and virtual reality (‘metaverse’). The five RadIT themes parallel their counterparts in optical IT. Synergies among different forms of RadIT and with optical IT motivate further advances towards multi-modal IT and quantum IT.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗