Search NASA⌕ Search

SEARCH · Search NASA

Results for “deformation function”

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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Coordinate transformation methodology for simulating quasistatic elastoplastic solids

Molecular dynamics simulations frequently employ periodic boundary conditions where the positions of the periodic images are manipulated in order to apply deformation to the material sample. For example, Lees-Edwards conditions use moving periodic images to apply simple shear. Here, we examine the problem of precisely comparing this type of simulation to continuum solid mechanics. We employ a hypo-elastoplastic mechanical model, and develop a projection method to enforce quasi-static equilibrium. We introduce a simulation framework that uses a fixed Cartesian computational grid on a reference domain, and imposes deformation via a time-dependent coordinate transformation to the physical domain. As a test case for our method, we consider the evolution of shear bands in a bulk metallic glass using the shear transformation zone theory of amorphous plasticity. We examine the growth of shear bands in simple shear and pure shear conditions as a function of the initial preparation of the bulk metallic glass.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Study of Quasielastic Barrier Distributions as a Step towards the Synthesis of Superheavy Elements with Hot Fusion Reactions

The excitation functions for quasielastic scattering of Ne 22 + Cm 248 , Mg 26 + Cm 248 , and Ca 48 + U 238 are measured using a gas-filled recoil ion separator. The quasielastic barrier distributions are extracted for these systems and are compared with coupled-channel calculations. The results indicate that the barrier distribution is affected dominantly by deformation of the actinide target nuclei, but also by vibrational or rotational excitations of the projectile nuclei, as well as neutron transfer processes before capture. From a comparison between the experimental barrier distributions and the evaporation residue cross sections for Sg ( Z = 106 ), Hs (108), Cn (112), and Lv (116), it is suggested that the hot fusion reactions take advantage of a compact collision, where the projectile approaches along the short axis of a prolately deformed nucleus. Overall, a new method is proposed to estimate the optimum incident energy to synthesize unknown superheavy nuclei using the barrier distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1989

Nonlinear mesomechanics of composites with periodic microstructure

This work is concerned with modeling the mechanical deformation or constitutive behavior of composites comprised of a periodic microstructure under small displacement conditions at elevated temperature. A mesomechanics approach is adopted which relates the microimechanical behavior of the heterogeneous composite with its in-service macroscopic behavior. Two different methods, one based on a Fourier series approach and the other on a Green's function approach, are used in modeling the micromechanical behavior of the composite material. Although the constitutive formulations are based on a micromechanical approach, it should be stressed that the resulting equations are volume averaged to produce overall effective constitutive relations which relate the bulk, volume averaged, stress increment to the bulk, volume averaged, strain increment. As such, they are macromodels which can be used directly in nonlinear finite element programs such as MARC, ANSYS and ABAQUS or in boundary element programs such as BEST3D. In developing the volume averaged or efective macromodels from the micromechanical models, both approaches will require the evaluation of volume integrals containing the spatially varying strain distributions throughout the composite material. By assuming that the strain distributions are spatially constant within each constituent phase-or within a given subvolume within each constituent phase-of the composite material, the volume integrals can be obtained in closed form. This simplified micromodel can then be volume averaged to obtain an effective macromodel suitable for use in the MARC, ANSYS and ABAQUS nonlinear finite element programs via user constitutive subroutines such as HYPELA and CMUSER. This effective macromodel can be used in a nonlinear finite element structural analysis to obtain the strain-temperature history at those points in the structure where thermomechanical cracking and damage are expected to occur, the so called damage critical points of the structure.

Walker, Kevin P.↗
NASA NTRS2010

Modeling Near-Crack-Tip Plasticity from Nano- to Micro-Scales

Several efforts that are aimed at understanding the plastic deformation mechanisms related to crack propagation at the nano-, meso- and micro-length scales including atomistic simulation, discrete dislocation plasticity, strain gradient plasticity and crystal plasticity are discussed. The paper focuses on discussion of newly developed methodologies and their application to understanding damage processes in aluminum and its alloys. Examination of plastic mechanisms as a function of increasing length scale illustrates increasingly complex phenomena governing plasticity

Glaessgen, Edward H.↗
NASA NTRS2016

Development of a Subcell Based Modeling Approach for Modeling the Architecturally Dependent Impact Response of Triaxially Braided Polymer Matrix Composites

Understanding the high velocity impact response of polymer matrix composites with complex architectures is critical to many aerospace applications, including engine fan blade containment systems where the structure must be able to completely contain fan blades in the event of a blade-out. Despite the benefits offered by these materials, the complex nature of textile composites presents a significant challenge for the prediction of deformation and damage under both quasi-static and impact loading conditions. The relatively large mesoscale repeating unit cell (in comparison to the size of structural components) causes the material to behave like a structure rather than a homogeneous material. Impact experiments conducted at NASA Glenn Research Center have shown the damage patterns to be a function of the underlying material architecture. Traditional computational techniques that involve modeling these materials using smeared homogeneous, orthotropic material properties at the macroscale result in simulated damage patterns that are a function of the structural geometry, but not the material architecture. In order to preserve heterogeneity at the highest length scale in a robust yet computationally efficient manner, and capture the architecturally dependent damage patterns, a previously-developed subcell modeling approach where the braided composite unit cell is approximated as a series of four adjacent laminated composites is utilized. This work discusses the implementation of the subcell methodology into the commercial transient dynamic finite element code LS-DYNA (Livermore Software Technology Corp.). Verification and validation studies are also presented, including simulation of the tensile response of straight-sided and notched quasi-static coupons composed of a T700/PR520 triaxially braided [0deg/60deg/-60deg] composite. Based on the results of the verification and validation studies, advantages and limitations of the methodology as well as plans for future work are discussed.

finite element method↗
DOE OSTI2025

In Situ Formation of Ripplocations in Hybrid Organic–Inorganic MXenes

Abstract Inorganic–organic hybrid MXenes (h‐MXenes) are a family of 2D transition metal carbides and nitrides functionalized with alkylimido and alkylamido surface groups. Using cryogenic and room temperature scanning transmission electron microscopy (STEM) and electron energy‐loss spectroscopy (EELS), it is shown that ripplocations, a form of a fundamental defect in 2D and layered structures, are abundant in this family of materials. Furthermore, detailed studies of electron probe sample interactions, focusing on structural deformations caused by the electron beam are presented. The findings indicate that at cryogenic temperatures (≈100 K) and below a specific dose threshold, the structure of h‐MXenes remains largely intact. However, exceeding this threshold leads to electron beam‐induced deformation through ripplocations. Interestingly, the deformation behavior, required dose, and resultant structure are highly dependent on temperature. At 100 K, it is demonstrated that the electron beam can induce ripplocations in situ with a high degree of precision.

Chemistry↗
DOE OSTI2025

Accounting for Sustainability and Performance: Contrasting Effects of PET-Derived Modifiers on Asphalt Durability

The valorization of waste plastics in roadway infrastructure requires careful balance between sustainability and performance, as ineffective modifiers may incur both environmental and financial costs. This study shows that two modifiers derived from the same waste plastic source (PET)-DOTP (N1,N4-(dioctyl)terephthalamide) and HETP (N1,N4-Bis(2-hydroxyethyl)terephthalamide)-exhibit opposite effects on asphalt properties, despite having nearly the same carbon footprint. DOTP improves elastic recovery in multiple creep recovery tests (MCRT), while HETP increases strain accumulation and reduces elasticity. Density functional theory (DFT) shows that DOTP's molecular structure can disperse well in bitumen mixtures by binding to both polar and non-polar components. In contrast, HETP binds only to the binder's polar sites, lacking adequate dispersion. This increases the risk of aggregation of polar compounds in the bitumen mixture, resulting in a more deformation-prone binder. A techno-economic analysis highlights trade-offs between sustainability and performance in industrial-scale synthesis. This study advocates for applying first-principles thinking in material design, coupled with experimental validation, to engineer plastic waste-derived additives that achieve both performance and sustainability goals.

36 MATERIALS SCIENCE↗
DOE OSTI2019

3D Columnar Phase of Stacked Short DNA Organized by Coherent Membrane Undulations

We report on the discovery of a new organized lipid-nucleic acid phase upon intercalation of blunt duplexes of short DNA (sDNA) within cationic multilayer fluid membranes. End-to-end interactions between sDNA leads to columnar stacks. At high membrane charge density, with the inter-sDNA column spacing (d sDNA ) comparable but larger than the diameter of sDNA, a 2D columnar phase (i.e., a 2D smectic) is found similar to the phase in cationic liposome-DNA complexes with long lambda-phage DNA. Remarkably, with increasing d sDNA as the membrane charge density is lowered, a transition is observed to a 3D columnar phase of stacked sDNA. This occurs even though direct DNA–DNA electrostatic interactions across layers are screened by diffusing cationic lipids near the phosphate groups of sDNA. Softening of the membrane bending rigidity (κ), which further promotes membrane undulations, significantly enhances the 3D columnar phase. These observations are consistent with a model by Schiessel and Aranda-Espinoza where local membrane undulations, due to electrostatically induced membrane wrapping around sDNA columns, phase lock from layer-to-layer, thereby precipitating coherent “crystal-like” undulations coupled to sDNA columns with long-range position and orientation order. The finding that this new phase is stable at large d sDNA and enhanced with decreasing κ is further supportive of the model where the elastic cost of membrane deformation per unit area around sDNA columns (∝ κh 2 /d sDNA 4 , h 2 = sum of square of amplitudes of the inner and outer monolayer undulations) is strongly reduced relative to the favorable electrostatic attractions of partially wrapped membrane around sDNA columns. Here, the findings have broad implications in the design of membrane-mediated assembly of functional nanoparticles in 3D.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Neutrinoless double-β decay of 124 Sn, 130 Te, and 136 Xe in the Hamiltonian-based generator-coordinate method

We present a generator-coordinate method for realistic shell-model Hamiltonians that closely approximates the full shell model calculations of the matrix elements for the neutrinoless double-β decay of 124 Sn, 130 Te, and 136 Xe. Here, we treat not only quadrupole deformations but also the proton-neutron pairing amplitudes as generator coordinates. We validate this method by calculating and comparing spectroscopic quantities with the exact shell model results and experimental data. Our Hamiltonian-based generator-coordinate method produces 0νββ matrix elements much closer to the shell model ones, compared to the existing energy-density-functional-based generator-coordinate approaches. The remaining overestimation of 0νββ nuclear matrix element suggests that additional correlations may be needed to be taken into account for 124 Sn, 130 Te, and 136 Xe when calculating with the Hamiltonian-based generator-coordinate method. The validation of this method may open the possibility of calculating 0νββ matrix element of 150 Nd in a large shell-model space.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Hydrodynamics of the interacting Bose gas in the Quantum Newton Cradle setup

Describing and understanding the motion of quantum gases out of equilibrium is one of the most important modern challenges for theorists. In the groundbreaking Quantum Newton Cradle experiment [Kinoshita, Wenger and Weiss, Nature 440, 900 (2006)], quasi-one-dimensional cold atom gases were observed with unprecedented accuracy, providing impetus for many developments on the effects of low dimensionality in out-of-equilibrium physics. But it is only recently that the theory of generalized hydrodynamics has provided the adequate tools for a numerically efficient description. Using it, we give a complete numerical study of the time evolution of an ultracold atomic gas in this setup, in an interacting parameter regime close to that of the original experiment. We evaluate the full evolving phase-space distribution of particles. We simulate oscillations due to the harmonic trap, the collision of clouds without thermalization, and observe a small elongation of the actual oscillation period and cloud deformations due to many-body dephasing. We also analyze the effects of weak anharmonicity. In the experiment, measurements are made after release from the one-dimensional trap. We evaluate the gas density curves after such a release, characterizing the actual time necessary for reaching the asymptotic state where the integrable quasi-particle momentum distribution function emerges.

Caux, Jean-Sébastien↗
NASA NTRS1982

Moving cracks in layered composites

A three-layered composite with a crack spreading in the center layer has been analytically examined to evaluate the effect of material nonhomogeneity on a constant velocity crack. Two different loading characteristics are considered. In the first case, crack motion is maintained by uniform tensile stresses. In the other, crack deformation is caused by anti-plane shear stresses. Galilean transformation and Fourier sine and cosine transforms are used to determine dynamic crack tip stress fields. Standard Fredholm integral equations yield the dynamic stress intensity factors. The results show that the intensity of local dynamic stresses increases or decreases with crack length to layer thickness as a function of the relative magnitudes of the adjoining layer's material properties. Crack speed tends to increase the effect of material nonhomogeneity.

Sih, G. C.↗
NASA NTRS1994

The extensional rheology of non-Newtonian materials

It has been proposed to measure the extensional viscosity function of a non-Newtonian polymer solution in a reduced gravity environment as part of the Advanced Fluid Module. In ground-based extensional measurements, the no-sip boundary condition at solid-fluid interfaces always result in appreciable shear gradients in the test fluid; however the removal of gravitational body forces permits controlled extensional deformation of containerless test samples and the first unambiguous measurements of this kind. Imperative to successful implementation of this experiment is the generation and subsequent deformation of a stable cylindrical column of test fluid. A study of the generation and deformation of liquid bridges demonstrates that Newtonian liquid bridges undergo capillary breakup as anticipated when stretched beyond a critical aspect ratio; non-Newtonian liquid bridges, however, are stabilized by the strain-hardening phenomenon exhibited by these materials. Numerical simulations of Newtonian breakup are compared with experimental results, and show that previous ground-based attempts at measuring the extensional viscosity of Newtonian fluids are of limited accuracy.

Spiegelberg, Stephen H.↗
DOE OSTI2024

Exploring gauge-fixing conditions with gradient-based optimization

Lattice gauge fixing is required to compute gauge-variant quantities, for example those used in RI-MOM renormalization schemes or as objects of comparison for model calculations. Recently, gauge-variant quantities have also been found to be more amenable to signal-to-noise optimization using contour deformations. These applications motivate systematic parameterization and exploration of gauge-fixing schemes. This work introduces a differentiable parameterization of gauge fixing which is broad enough to cover Landau gauge, Coulomb gauge, and maximal tree gauges. The adjoint state method allows gradient-based optimization to select gauge-fixing schemes that minimize an arbitrary target loss function.

Detmold, William↗
DOE OSTI2019

Effect of Fragile Speckle Patterns on Accuracy of Digital Volume Correlation

Due to challenges in generating high-quality 3D speckle patterns for Digital Volume Correlation (DVC) strain measurements, DVC experiments often utilize the intrinsic texture and contrast of composite microstructures. One common deficiency of these natural speckle patterns is their poor durability under large deformations, which can lead to decorrelation and inaccurate strain measurements. Using syntactic foams as a model material, the effects of speckle pattern degradation on the accuracy of DVC displacement and strain measurements are assessed with both experimentally-acquired and numerically-generated images. It is shown that measurement error can be classified into two regimes as a function of the percentage of markers that have disappeared from the speckle pattern. For minor levels of damage beneath a critical level of damage, displacement and strain error remained near the noise floor of less than 0.05 voxels and 100 με, respectively; above this level, error rapidly increased to unacceptable levels above 0.2 voxels and 10,000 με. This transition occurred after 30%–40% of the speckles disappeared, depending on characteristics of the speckle pattern and its degradation mechanisms. Furthermore, these results suggest that accurate DVC measurements can be obtained in many types of fragile materials despite severe damage to the speckle pattern.

42 ENGINEERING↗
DOE OSTI2025

Geometry-aware framework for deep energy method: An application to structural mechanics with hyperelastic materials

Here, in this work, we introduce a novel physics-informed framework named the Geometry-Aware Deep Energy Method (GADEM) for solving structural mechanics problems on different geometries. As the weak form of the physical system equation (or the energy-based approach) has demonstrated clear advantages compared to the strong form for solving solid mechanics problems, GADEM employs the weak form and aims to infer the solution on multiple shapes of geometries. Integrating a geometry-aware framework into an energy-based method results in an effective physics-informed deep learning model in terms of accuracy and computational cost. Different ways to represent the geometric information and to encode the geometric latent vectors are investigated in this work. We introduce a loss function of GADEM which is minimized based on the potential energy of all considered geometries. An adaptive learning method is also employed for the sampling of collocation points to enhance the performance of GADEM. We present some applications of GADEM to solve solid mechanics problems, including a loading simulation of a toy tire involving contact mechanics and large deformation hyperelasticity. The numerical results of this work demonstrate the remarkable capability of GADEM to infer the solution on various and new shapes of geometries using only one trained model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Dynamic Interfacial Design in Adaptive Hybrid Materials Enables Reversible and Tunable Mechano-Optic Smart Responses

Next-generation polymeric materials are shifting toward adaptive and interactive behaviors of living systems; however, designing materials that can reversibly modulate optical properties under mechanical deformation while maintaining mechanical robustness remains a key challenge. Here, we report a mechanically robust vitrimer-based adaptive hybrid material (AHM) that exhibits a stretch-induced reversible transparency-to-opacity transition, enabled by the integration of dynamic interactions at the polymer–silica nanoparticle interface and controlled nanoparticle self-assembly. The AHM combines boronic ester–functionalized polystyrene-b-poly(ethylene-co-butylene)-b-polystyrene (S-Bpin) with diol-functionalized silica nanoparticles (diol-SiNPs) to form a hybrid network hosting both dynamic boronic ester and hydrogen-bonding interactions. These reversible linkages facilitate controlled nanoparticle self-assembly and enable strain-induced nanoparticle alignment/aggregation. Upon stretching, SiNP-rich domains align and aggregate within the polymer matrix, while local modulus mismatch between stiff aggregated SiNP/borylated-styrene-rich regions and the softer elastomeric midblock induces surface microwrinkle formation. These internal aggregates and surface wrinkles cooperatively enhance light scattering, producing the opaque state under strain. Furthermore, the tailored AHM exhibits high toughness, thermomechanical stability, reprocessability, and programmable shape-memory behavior. This work presents a dynamic interfacial design strategy for mechanically robust, optically reconfigurable, and reusable soft materials for adaptive optics, smart windows, sensing, soft robotics, and circular smart-material platforms.

adaptive hybrid materials↗
DOE OSTI2024

Multifunctional entinostat enhances the mechanical robustness and efficiency of flexible perovskite solar cells and minimodules

Flexible perovskite solar cells (F-PSCs), prized for their nature of soft and high power-weight compatibility, have attracted intensive attention. However, inferior buried perovskite-substrate interfaces due to low interfacial adhesion between perovskites and substrates and large deformation of flexible substrates have greatly limited the performance of F-PSCs. Here, we add organic molecule Entinostat (ET) into hole extraction material Poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine] (PTAA) to enhance the adhesion at the perovskite/substrate interface using the interactions of ET with perovskites, PTAA and indium tin oxide (ITO) through its multiple function groups. Meanwhile, ET added into perovskites reduces the voids at the bottom perovskite film, due to its capability to tune the crystallization of perovskites by forming adduct with lead. Consequently, the inverted small area F-PSCs achieved an efficiency of 23.4%. The flexible perovskite minimodule with an area of 9 cm 2 achieved an aperture efficiency of ~19.0% certified by National Renewable Energy Laboratory. Furthermore, the optimized unencapsulated flexible minimodule retained 84% of the initial efficiency after 5000 bending cycles and retained 90% of the initial PCE (T90) after light soaking for >750 hours.

14 SOLAR ENERGY↗