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NASA NTRS2011

Foam/Aerogel Composite Materials for Thermal and Acoustic Insulation and Cryogen Storage

The invention involves composite materials containing a polymer foam and an aerogel. The composite materials have improved thermal insulation ability, good acoustic insulation, and excellent physical mechanical properties. The composite materials can be used, for instance, for heat and acoustic insulation on aircraft, spacecraft, and maritime ships in place of currently used foam panels and other foam products. The materials of the invention can also be used in building construction with their combination of light weight, strength, elasticity, ability to be formed into desired shapes, and superior thermal and acoustic insulation power. The materials have also been found to have utility for storage of cryogens. A cryogenic liquid or gas, such as N.sub.2 or H.sub.2, adsorbs to the surfaces in aerogel particles. Thus, another embodiment of the invention provides a storage vessel for a cryogen.

Williams, Martha K.↗

DOE OSTI2023

Simulation toolkit for digital material characterization of large image-based microstructures

In this paper, an efficient image-based simulation toolkit for material characterization is presented, which is scalable to work from personal computers to workstations. The effective thermal conductivity, elasticity, and permeability are evaluated employing a computational homogenization framework based on the Finite Element Method (FEM). Two complementary open-source packages are presented: one developed in Python, which can convert digital images into voxel meshes (pyTomoviewer); the other developed in Julia, that can run numerical simulations to compute effective material properties (chpack). Also, a CUDA C version of chpack is provided (chfem_gpu). They were designed to deal with large multi-phase models, so strategies were devised to minimize their memory footprint, while avoiding a high toll on execution time. The voxel-based approach significantly simplifies the FEM meshes and allows efficient matrix-free implementations. In that sense, to handle large linear systems of equations, the element-by-element (EBE) technique is adopted, in conjunction with a low-memory implementation of the Preconditioned Conjugate Gradient (PCG) method. Finally, the code was thoroughly tested on an artificial geometry made of a square array of cylinders, for which analytical solutions exist, as well as on a real micro-tomographic reconstruction of FiberForm TM , a carbon preform commonly used in thermal protection systems.

36 MATERIALS SCIENCE↗

NASA NTRS2008

Investigation of Fiber Waviness in a Thick Glass Composite Beam Using THz NDE

Fiber waviness in laminated composite material is introduced during manufacture because of uneven curing, resin shrinkage, or ply buckling caused by bending the composite lay-up into its final shape prior to curing. The resulting waviness has a detrimental effect on mechanical properties, therefore this condition is important to detect and characterize. Ultrasonic characterization methods are difficult to interpret because elastic wave propagation is highly dependent on ply orientation and material stresses. By comparison, the pulsed terahertz response of the composite is shown to provide clear indications of the fiber waviness. Pulsed Terahertz NDE is an electromagnetic inspection method that operates in the frequency range between 300 GHz and 3 THz. Its propagation is influenced by refractive index variations and interfaces. This work applies pulsed Terahertz NDE to the inspection of a thick composite beam with fiber waviness. The sample is a laminated glass composite material approximately 15mm thick with a 90-degree bend. Terahertz response from the planar section, away from the bend, is indicative of a homogeneous material with no major reflections from internal plies, while the multiple reflections at the bend area correspond to the fiber waviness. Results of these measurements are presented for the planar and bend areas.

Anastasi, Robert F.↗

NASA NTRS1990

Physical interpretation and application of principles of ultrasonic nondestructive evaluation of high-performance materials

An ultrasonic measurement system employed in the experimental interrogation of the anisotropic properties (through the measurement of the elastic stiffness constants) of the uniaxial graphite-epoxy composites is presented. The continuing effort for the development of improved visualization techniques for physical parameters is discussed. The background is set for the understanding and visualization of the relationship between the phase and energy/group velocity for propagation in high-performance anisotropic materials by investigating the general requirements imposed by the classical wave equation. The consequences are considered when the physical parameters of the anisotropic material are inserted into the classical wave equation by a linear elastic model. The relationship is described between the phase velocity and the energy/group velocity three dimensional surfaces through graphical techniques.

Miller, James G.↗

DOE OSTI2023

Robust deep learning framework for constitutive relations modeling

Modeling the full-range deformation behaviors of materials under complex loading and materials conditions is a significant challenge for constitutive relations (CRs) modeling. Here, we propose a general encoder-decoder deep learning framework that can model high-dimensional stress-strain data and complex loading histories with robustness and universal capability. The framework employs an encoder to project high-dimensional input information (e.g., loading history, loading conditions, and materials information) to a lower-dimensional hidden space and a decoder to map the hidden representation to the stress of interest. We evaluated various encoder architectures, including gated recurrent unit (GRU), GRU with attention, temporal convolutional network (TCN), and the Transformer encoder, on two complex stress-strain datasets that were designed to include a wide range of complex loading histories and loading conditions. All architectures achieved excellent test results with an root-mean-square error (RMSE) below 1 MPa. Additionally, we analyzed the capability of the different architectures to make predictions on out-of-domain applications, with an uncertainty estimation based on deep ensembles. The proposed approach provides a robust alternative to empirical/semi-empirical models for CRs modeling, offering the potential for more accurate and efficient materials design and optimization.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Machine learning interatomic potential for predicting the thermal properties of uranium nitride

We present a combined computational and experimental investigation of the thermal properties of uranium nitride (UN), focusing on the development of a machine learning interatomic potential (MLIP) using the moment tensor potential framework. The MLIP was trained on density functional theory (DFT) data and validated against various quantities including energies, forces, elastic constants, phonon dispersion, and defect formation energies, achieving excellent agreement with DFT calculations, prior experimental results, and our thermal conductivity measurement. The potential was then employed in molecular dynamics simulations to predict key thermal properties such as melting point, thermal expansion, specific heat, and lattice thermal conductivity. To further assess model accuracy, we fabricated a UN sample and performed new thermal conductivity measurements representative of single-crystal properties, which showed strong agreement with the MLIP predictions. This work confirms the reliability and predictive capability of the developed potential for determining the thermal properties of UN.

36 - MATERIALS SCIENCE↗

NASA NTRS1985

On local total strain redistribution using a simplified cyclic inelastic analysis based on an elastic solution

Strain redistribution corrections were developed for a simplified inelastic analysis procedure to economically calculate material cyclic response at the critical location of a structure for life prediction purposes. The method was based on the assumption that the plastic region in the structure is local and the total strain history required for input can be defined from elastic finite element analyses. Cyclic stress-strain behavior was represented by a bilinear kinematic hardening model. The simplified procedure has been found to predict stress-strain response with reasonable accuracy for thermally cycled problems but needs improvement for mechanically load cycled problems. This study derived and incorporated Neuber type corrections in the simplified procedure to account for local total strain redistribution under cyclic mechanical loading. The corrected simplified method was exercised on a mechanically load cycled benchmark notched plate problem. Excellent agreement was found between the predicted material response and nonlinear finite element solutions for the problem. The simplified analysis computer program used 0.3 percent of the CPU time required for a nonlinear finite element analysis.

Hwang, S. Y.↗

NASA NTRS1985

On local total strain redistribution using a simplified cyclic inelastic analysis based on an elastic solution

Hwang, S. Y.↗

NASA NTRS1931

Wrinkling Phenomena of Thin Flat Plates Subjected to Shear Stresses

This report covers a series of tests on thin flat elastic strips restrained at two parallel edges and subjected to shear by conversely directed stresses. Theoretical treatments, particularly those of Lilly, Southwell and Skan, and Timoshenko are briefly outlined. The problem to be solved by these tests was to find out whether, and to what extent the conditions and assumptions upon which the calculations are based are complied with in the tests. Three materials were used: celluloid, duralumin, brass. Owing to the high elastic deformability of celluloid, it was not only possible to observe the beginning but also to ascertain the type of deflection. The test data on celluloid was affirmed by the experiments with duralumin and brass.

Bollenrath, F↗

NASA NTRS1992

A combined analytical-experimental tensile test technique for brittle materials

A semiconventional tensile test technique is developed for impact ices and other brittle materials. Accurate results have been obtained on ultimate strength and modulus of elasticity in a refrigerated ice test. It is noted that the technique can be used to determine the physical properties of impact ices accreted inside icing wind tunnels or other brittle materials.

Chu, M. L.↗

NASA NTRS1981

Development of a polymetric grout for the hydrostatic bearing at DSS 14

Results of an investigation into the causes of the deterioration and premature failure of the grout under the hydrostatic bearing runner at DSS 14 are reported. Generic types of materials were screened and tested to find a grout material more resistive to the causes of grout failure. Emphasis was placed on the physical properties, strength, modulus of elasticity, and resistance to erosion and chemical attack by oil and unique requirements imposed by each material for mixing, placing, compacting, and cooling. The polymetric grout developed to replace the dry grout is described.

Mcclung, C. E.↗

DOE OSTI2025

Re-investigation of moment direction in a Kitaev material α -RuCl 3

Abstract We report x-ray diffraction and resonant elastic x-ray scattering studies on two α -RuCl 3 crystals with distinct magnetic transition temperatures: T N = 7.3 K and 6.5 K. We find that the sample with T N = 6.5 K exhibits a high degree of stacking faults and structural twinning at low temperature, whereas the T N = 7.3 K sample primarily comprises a single domain of R 3 ¯ . Notwithstanding, both samples exhibit an identical zigzag magnetic structure, with magnetic moments pointing away from the honeycomb plane by α = 31 ( 2 ) ∘ . We argue that the identical ordered moment directions in these samples suggest that the intralayer magnetic interactions remain mostly unchanged regardless of T N .

2D magnetism↗

DOE OSTI2024

First-principles investigation of elastic, vibrational, and thermodynamic properties of kagome metals CsM 3 Te 5 (M = Ti, Zr, Hf)

Kagome metals are a unique class of quantum materials characterized by their distinct atomic lattice arrangement, featuring interlocking triangles and expansive hexagonal voids. These lattice structures impart exotic properties, including superconductivity, interaction-driven topological many-body phenomena, and magnetism, among others. The kagome metal CsM 3 ⁢Te 5 (where M = Ti, Zr, or Hf) exhibits both superconductivity and nontrivial topological electronic properties, offering a promising platform for exploring topological superconductivity. This study employs first-principles density functional theory calculations to systematically analyze the elastic, mechanical, vibrational, thermodynamic, and electronic properties of CsM 3 ⁢Te 5 (M = Ti, Zr, Hf). Our calculations reveal that the studied compounds—CsTi 3 ⁢Te 5 , CsZr 3 ⁢Te 5 , and CsHf 3 ⁢Te 5 —are ductile metals with elastic properties akin to the hexagonal Bi and Sb, with average elastic constants, including a bulk modulus of 27 GPa, a shear modulus of 11 GPa, and Young's modulus of 29 GPa. We observe peculiar dispersionless, flat, phonon branches in the vibrational spectra of these metals. Additionally, we thoroughly analyze the symmetries of the zone-center phonon eigenvectors and predict vibrational fingerprints of the Raman- and infrared-active phonon modes. The analysis of thermodynamic properties reveals the Einstein temperature for CsTi 3 ⁢Te 5 , CsZr 3 ⁢Te 5 , and CsHf 3 ⁢Te 5 to be 66, 54, and 53 K, respectively. Our orbital-decomposed electronic structure calculations reveal significant in-plane steric interactions and multiple Dirac band crossings near the Fermi level. We further investigate the role of spin-orbit coupling effect on the studied properties. Furthermore, this theoretical investigation sheds light on the intriguing quantum behavior of kagome metals.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Extension-torsion coupling behavior of advanced composite tilt-rotor blades

An analytic model was developed to study the extension-bend-twist coupling behavior of an advanced composite helicopter or tilt-rotor blade. The outer surface of the blade is defined by rotating an arbitrary cross section about an initial twist axis. The cross section can be nonhomogeneous and composed of generally anisotropic materials. The model is developed based upon a three dimensional elasticity approach that is recast as a coupled two-dimensional boundary value problem defined in a curvilinear coordinate system. Displacement solutions are written in terms of known functions that represent extension, bending, and twisting and unknown functions for local cross section deformations. The unknown local deformation functions are determined by applying the principle of minimum potential energy to the discretized two-dimensional cross section. This is an application of the Ritz method, where the trial function family is the displacement field associated with a finite element (8-node isoparametric quadrilaterals) representation of the section. A computer program was written where the cross section is discretized into 8-node quadrilateral subregions. Initially the program was verified using previously published results (both three-dimensional elasticity and technical beam theory) for pretwisted isotropic bars with an elliptical cross section. In addition, solid and thin-wall multi-cell NACA-0012 airfoil sections were analyzed to illustrate the pronounced effects that pretwist, initial twist axis location, and spar location has on coupled behavior. Currently, a series of advanced composite airfoils are being modeled in order to assess how the use of laminated composite materials interacts with pretwist to alter the coupling behavior of the blade. These studies will investigate the use of different ply angle orientations and the use of symmetric versus unsymmetric laminates.

Kosmatka, J. B.↗

NASA NTRS1988

Temperature effect on stress concentration around circular hole in a composite material specimen representative of X-29A forward-swept wing aircraft

The theory of anisotropic elasticity was used to evaluate the anisotropic stress concentration factors of a composite laminated plate containing a small circular hole. This advanced composite was used to manufacture the X-29A forward-swept wing. It was found for composite material, that the anisotropic stress concentration is no longer a constant, and that the locations of maximum tangential stress points could shift by changing the fiber orientation with respect to the loading axis. The analysis showed that through the lamination process, the stress concentration factor could be reduced drastically, and therefore the structural performance could be improved. Both the mixture rule approach and the constant strain approach were used to calculate the stress concentration factor of room temperature. The results predicted by the mixture rule approach were about twenty percent deviate from the experimental data. However, the results predicted by the constant strain approach matched the testing data very well. This showed the importance of the inplane shear effect on the evaluation of the stress concentration factor for the X-29A composite plate.

Yeh, Hsien-Yang↗

NASA NTRS2011

Resilient and Corrosion-Proof Rolling Element Bearings Made from Superelastic Ni-Ti Alloys for Aerospace Mechanism Applications

Mechanical components (bearings, gears, mechanisms) typically utilize hard materials to minimize wear and attain long life. In such components, heavily loaded contact points (e.g., meshing gear teeth, bearing ball-raceway contacts) experience high contact stresses. The combination of high hardness, heavy loads and high elastic modulus often leads to damaging contact stress. In addition, mechanical component materials, such as tool steel or silicon nitride exhibit limited recoverable strain (typically less than 1 percent). These material attributes can lead to Brinell damage (e.g., denting) particularly during transient overload events such as shock impacts that occur during the launching of space vehicles or the landing of aircraft. In this paper, a superelastic alloy, 60NiTi, is considered for rolling element bearing applications. A series of Rockwell and Brinell hardness, compressive strength, fatigue and tribology tests are conducted and reported. The combination of high hardness, moderate elastic modulus, large recoverable strain, low density, and intrinsic corrosion immunity provide a path to bearings largely impervious to shock load damage. It is anticipated that bearings and components made from alloys with such attributes can alleviate many problems encountered in advanced aerospace applications.

DellaCorte, Christopher↗

DOE OSTI2021

New interaction potentials for alkaline earth silicate and borate glasses

New interaction potentials were developed for molecular dynamics simulations to study the role of Mg and Ca in modifying the structure and properties of alkaline earth silicates and borates. Competition between the depolymerization of the silica network and the formation of new bonds between oxygen atoms and modifiers leads to the enhancement of the elastic moduli with increasing modifier content in alkaline earth silicate glasses. Compared with calcium silicate, the higher elastic moduli of magnesium silicate result from a higher connectivity of the overall glass network due to the incorporation of fourfold coordinated magnesium and a more rigid connection between oxygen atoms and modifiers. In contrast to the silicates, the effect of modifier on the elastic moduli of alkaline earth borates is dominated by the formation of fourfold coordinated boron (N 4 ). Calcium borate with higher N 4 shows a more rigid network structure and higher elastic moduli.

36 MATERIALS SCIENCE↗

NASA NTRS1977

PLANS; a finite element program for nonlinear analysis of structures. Volume 2: User's manual

The PLANS system, rather than being one comprehensive computer program, is a collection of finite element programs used for the nonlinear analysis of structures. This collection of programs evolved and is based on the organizational philosophy in which classes of analyses are treated individually based on the physical problem class to be analyzed. Each of the independent finite element computer programs of PLANS, with an associated element library, can be individually loaded and used to solve the problem class of interest. A number of programs have been developed for material nonlinear behavior alone and for combined geometric and material nonlinear behavior. The usage, capabilities, and element libraries of the current programs include: (1) plastic analysis of built-up structures where bending and membrane effects are significant, (2) three dimensional elastic-plastic analysis, (3) plastic analysis of bodies of revolution, and (4) material and geometric nonlinear analysis of built-up structures.

Pifko, A.↗