Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “computational structural mechanics”

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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Application of Composite Mechanics to Composites Enhanced Concrete Structures

A new and effective method is described to design composites to repair damage or enhance the overload strength of concrete infrastructures. The method is based on composite mechanics which is available in computer codes. It is used to simulate structural sections made from reinforced concrete which are typical in infrastructure as well as select reinforced concrete structures. The structural sections are represented by a number of layers through the thickness where different layers are used in concrete, and for the composite. The reinforced concrete structures are represented with finite elements where the element stiffness parameters are from the structural sections which are represented by composite mechanics. The load carrying capability of the structure is determined by progressive structural fracture. Results show up to 40 percent improvements for damage and for overload enhancement with relatively small laminate thickness for the structural sections and up to three times for the composite enhanced select structures (arches and domes).

Chamis, Christos C.↗
NASA NTRS1989

Interfacing modules for integrating discipline specific structural mechanics codes

An outline of the organization and capabilities of the Engine Structures Computational Simulator (Simulator) at NASA Lewis Research Center is given. One of the goals of the research at Lewis is to integrate various discipline specific structural mechanics codes into a software system which can be brought to bear effectively on a wide range of engineering problems. This system must possess the qualities of being effective and efficient while still remaining user friendly. The simulator was initially designed for the finite element simulation of gas jet engine components. Currently, the simulator has been restricted to only the analysis of high pressure turbine blades and the accompanying rotor assembly, although the current installation can be expanded for other applications. The simulator presently assists the user throughout its procedures by performing information management tasks, executing external support tasks, organizing analysis modules and executing these modules in the user defined order while maintaining processing continuity.

Endres, Ned M.↗
DOE OSTI2023

A materials data framework and dataset for elastomeric foam impact mitigating materials

The availability of materials data for impact-mitigating materials has lagged behind applications-based data. For example, data describing on-field helmeted impacts are available, whereas material behaviors for the constituent impact-mitigating materials used in helmet designs lack open datasets. Here, we describe a new FAIR (findable, accessible, interoperable, reusable) data framework with structural and mechanical response data for one example elastic impact protection foam. The continuum-scale behavior of foams emerges from the interplay of polymer properties, internal gas, and geometric structure. This behavior is rate and temperature sensitive, therefore, describing structure-property characteristics requires data collected across several types of instruments. Data included are from structure imaging via micro-computed tomography, finite deformation mechanical measurements from universal test systems with full-field displacement and strain, and visco-thermo-elastic properties from dynamic mechanical analysis. These data facilitate modeling and design efforts in foam mechanics, e.g., homogenization, direct numerical simulation, or phenomenological fitting. The data framework is implemented using data services and software from the Materials Data Facility of the Center for Hierarchical Materials Design.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reflectin: Protein Driver of Dynamically Tunable Biophotonics; New Paradigm for Tunably Reconfigurable Materials

We discovered that the reflectins, with architecture and sequences unlike those of any other proteins known, exhibit a novel interplay between signal-controlled nucleation and growth of dynamically arrested liquid-liquid phase-segregated assemblies that uniquely enables the continuous and precise fine-tuning of physical properties governing the color and brightness of light reflected from the membrane-enclosed nanostructures that contain them. Our research included high-resolution structural analyses conducted at the DOE-BES user facilities of the Stanford Synchrotron Light Source and LBL National Laboratory’s Molecular Foundry, leveraging their capabilities for time-resolved SAXS and cryo-TEM with our ongoing genetic engineering, biophysical and computational analyses to identify the structural determinants and mechanisms governing the dynamic behaviors of the reflectins. We augmented these methods with EPR analyses that revealed for the first time the existence of a specific pathway of reflectin assembly. Using dynamic light scattering and continuously monitored circular dichroism and Raman microscopy, we elucidated the progression of structural changes underlying the mechanisms of signal-induced condensation, folding, assembly, liquefaction, dynamic arrest, regulation and reversal.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1978

Performance optimizing

System of computer programs determines optimal behavior of structural-mechanical system subject to transient disturbances or loadings. Program makes it possible to approach design problem directly from design criteria without prior commitment to particular design concept.

Clark, B.↗
NASA NTRS1984

Role of optimization in interdisciplinary analyses of naval structures

The need for numerical design optimization of naval structures is discussed. The complexity of problems that arise due to the significant roles played by three major disciplines, i.e., structural mechanics, acoustics, and hydrodynamics are discussed. A major computer software effort that has recently begun at the David W. Taylor Naval Ship R&D Center to accommodate large multidisciplinary analyses is also described. In addition to primarily facilitating, via the use of data bases, interdisciplinary analyses for predicting the response of the Navy's ships and related structures, this software effort is expected to provide the analyst with a convenient numerical workbench for performing large numbers of analyses that may be necessary for optimizing the design performance. Finally, an example is included that investigates several aspects of optimizing a typical naval structure from the viewpoints of strength, hydrodynamic form, and acoustic characteristics.

Dhir, S. K.↗
NASA NTRS2004

Cryogenic Composite Tank Design for Next Generation Launch Technology

The structural performance of liquid hydrogen tanks made from composites is investigated. A computational method that judiciously combines structural analysis, composite mechanics, progressive fracture algorithm to evaluate damage tolerance, durability, and fatigue and fracture is described. A tank design concept is introduced and evaluated. The composite tank is internally stiffened by incorporating additional stacks of laminates along its length to alternate rows of finite elements. The robustness of the proposed design concept is assessed by damage progression analysis. Damage initiates i the composite at an internal pressure that is nearly two times the design pressure. From the point of damage initiation, the designed tank can tolerate an increase in internal pressure that is nearly three and a half times the design pressure. Low cycle fatigue analysis is also performed to determine the effect of pressurization and de-pressurization on the structural integrity of the tank. Results show that the tank can sustain at least a 100 cycles before any failure take place.

Abumen, Galib H.↗
DOE OSTI2025

C3MechLite: An integrated component library of compact kinetic mechanisms for low-carbon, carbon neutral and zero-carbon fuels

Based on our latest detailed chemical reaction mechanism, C3MechV4.0, we have developed two reduced reaction mechanisms—C3MechLite and C3MechCore—targeting C 0 –C 3 chemical species including NH 3 . C3MechLite (61 species), contains a number of species comparable to GRI-Mech (53 species), that can accurately predict the combustion characteristics of hydrogen, carbon monoxide, ammonia, methane, natural gas, nitrogen oxides, and their mixtures for a wide range of conditions. C3MechCore (118 species) targets a more comprehensive range of C 0 –C 3 fuels, including ammonia, methanol, ethanol, and dimethyl ether. Both mechanisms demonstrate predictive accuracy comparable to C3MechV4.0 for the combustion characteristics of the target fuels. C3MechLite is designed with a component library structure, enabling further reduction in mechanism size depending on the fuel(s) of interest for 2D/3D numerical simulations. Various combinations of component libraries were validated, and the average prediction error remains within 1 % compared to C3MechLite. Furthermore, the mechanism was applied to 3D LES simulations of H 2 lifted flames and was confirmed to reproduce flame characteristics with high accuracy. C3MechLite and its component library structure enable high-fidelity and computationally efficient chemical kinetic mechanisms, paving the way for application in more complex combustion simulations.

Ammonia↗
NASA NTRS2004

Characterization of Unsteady Flow Structures Near Landing-Edge Slat: 2D Computations - Part 2

In our previous computational studies of a generic high-lift configuration, quasi-laminar (as opposed to fully turbulent) treatment of the slat cove region proved to be an effective approach for capturing the unsteady dynamics of the cove flow field. Combined with acoustic propagation via Ffowes Williams and Hawkings formulation, the quasi-laminar simulations captured some important features of the slat cove noise measured with microphone array techniques. However. a direct assessment of the computed cove flow field was not feasible due to the unavailability of off-surface flow measurements. To remedy this shortcoming, we have undertaken a combined experiment and computational study aimed at characterizing the flow structures and fluid mechanical processes within the slat cove region. Part I of this paper outlines the experimental aspects of this investigation focused on the 30P30N high-lift configuration; the present paper describes the accompanying computational results including a comparison between computation and experiment at various angles of attack. Even through predictions of the time-averaged flow field agree well with the measured data, the study indicates the need for further refinement of the zonal turbulence approach in order to capture the full dynamics of the cove's fluctuating flow field.

Khorrami, Mehdi↗
DOE OSTI2025

First-Principles Studies on Sc 2 RuZ (Z = Si, Ge, Sn) Inverse Heusler Alloys: Structural, Electronic, and Transport Properties

The continuous demand for efficient, nontoxic, and thermally stable materials for room-temperature energy conversion motivates the exploration of novel thermoelectric systems beyond the traditional magnetic Heusler alloys. While full and half-Heusler compounds, especially Co-, Ni-, and Mn-based systems, have demonstrated promising thermoelectric properties, their typically high operating temperatures and magnetic complexities limit their applicability in ambient thermal management. In this context, we investigate whether Sc-based inverse Heusler alloys can offer a viable nonmagnetic alternative with competitive thermoelectric performance. In this work, we perform a systematic first-principles study of the inverse Heusler compounds Sc 2 RuZ (Z = Si, Ge, Sn), focusing on their structural, electronic, mechanical, and thermodynamic-thermoelectric properties. Density Functional Theory (DFT) was employed to compute optimized lattice structures and band dispersion, while dynamical stability was assessed via phonon calculations. Thermoelectric transport coefficients, including Seebeck coefficient, electrical conductivity, and thermal conductivity, were estimated using the semiclassical Boltzmann transport theory within the constant relaxation time approximation. Our results show that all Sc 2 RuZ compounds are thermodynamically stable semiconductors with indirect band gaps of 0.12–0.16 eV and exhibit high elastic moduli, especially Sc 2 RuSn, which demonstrates superior stiffness and incompressibility. Importantly, all compounds display promising room-temperature thermoelectric characteristics, including high Seebeck coefficients and power factors. These findings reveal that Sc 2 RuZ alloys represent a rare class of stable, nonmagnetic inverse Heusler semiconductors with intrinsic thermoelectric potential at room temperature, unlike many existing Heusler systems optimized for spintronics or high-temperature operation. This work expands the known design space for Heusler-based thermoelectrics and offers a theoretical basis for experimental realization of efficient, low-temperature, nonmagnetic thermoelectric materials.

alloys↗
NASA NTRS1993

Advanced microfabrication technologies for microspacecraft

Advanced microfabrication technologies offer the prospect of reducing the weight and size of spacecraft through the use of lighter and stronger materials in conjunction with new mechanical/structural design concepts and design optimization methods. At the same time, electronic components have been scaled down while increasing functional utility. A two-fold benefit is derived for space applications through the use of less expensive components and the lower launch costs associated with lighter components. GE-CRD is actively pursuing research in these key technologies for a wide range of applications including satellites. These key technologies will be reviewed and an update on GE progress will be given. The need to reduce weight and lower cost, while maintaining product quality and reliability are primary drivers in the design of satellites, in general, and microsatellites in particular. For the structural subsystem, these requirements pose a complex design problem unless new mechanical design concepts and computer-aided design optimization methods are employed. Several new concepts, such as battery packs doubling as panel reinforcements and fuel tanks as integral structural members, need to utilized. In addition, new viscoelastic material damping concepts for spacecraft components provide for lighter weight/lower cost designs, while satisfying the structural dynamics requirements. High density interconnect (HDI) technology permits the use of bare IC's on a ceramic substrate with 90 percent active area utilization. A copper/polyimide multilayer structure is the backbone of the technology, which has demonstrated a size/weight reduction of greater than 10x compared to printed circuit board with performance up to the GHz level. HDI modules have exceptional mechanical robustness as evidenced by survival of 180 kg rapid acceleration tests. Microelectromechanical systems (MEMS) are redefining sensors and actuators by miniaturization through micromachining techniques. Sharing many fabrication steps with HDI, we have developed a new technique for surface micromachining of copper/polyimide structures using computer-aided laser patterning.

Ghezzo, M.↗
DOE OSTI2023

Convolutional Neural Network for Segmenting Micro-X-ray Computed Tomography Images of Wood Cellular Structures

To further enhance the performance of wood products, improved tools are needed to study in situ cellular scale phenomena like mechanical deformations and moisture swelling. Micro-X-ray computed tomography (μXCT) using brilliant synchrotron light sources now has the spatial and temporal resolution for real-time visualization of phenomena in three-dimensional cellular structures. However, the tradeoff for speed includes the loss of intensity contrast between different types of materials within the imaged structure, such as cell wall and air in wood. This loss of contrast prevents traditional histogram-based segmentation methods from being used effectively. A new convolutional neural network (CNN) approach was therefore developed to segment fast μXCT images of wood into cell wall and air volumes. The fast μXCT and segmentation were demonstrated in the study of moisture swelling in loblolly pine (Pinus taeda) earlywood and latewood cellular structures conditioned at 0%, 33%, 75%, and 95% relative humidity (RH). The CNN segmentation results had a mean intersection over union (IoU) metric accuracy of 96%. Initial analysis of the swelling in the latewood revealed cell walls swelled about 25% when conditioned from 0% to 95% RH. Additionally, the widths of ray cell lumina in the transverse plane of latewood could be observed to increase at higher RH. The segmentation method presented here will facilitate future quantitative analyses in in situ μXCT studies of wood and other similar cellular materials.

Arzola-Villegas, Xavier (ORCID:0000000305369766)↗
DOE OSTI2022

Reticular chemistry for the rational design of mechanically robust mesoporous merged-net metal-organic frameworks

Access to metal-organic frameworks (MOFs) with enhanced mechanical stability is key to their successful deployment in practical applications. However, the high porosity of the material often affects mechanical stability. In this article, to achieve highly porous MOFs with enhanced mechanical stability, we explored the merged-net approach where two relatively fragile frameworks were merged into a robust MOF structure. We demonstrate the effectiveness of this approach by computationally evaluating mechanical properties of sph-MOFs with varying lengths of linkers. Prominently, we pinpoint the significance of triangular rigidity on the robustness of large-pore MOFs and, subsequently, designed and synthesized a rare earth (RE)-based RE-sph-MOF-5 by the reticulation of hexanuclear RE clusters, tritopic linkers, and unprecedentedly large planar hexatopic linkers containing 19 phenyl rings. The mechanical properties of sph-MOFs were characterized and quantified using amplitude-frequency modulation (AM-FM) bimodal atomic force microscopy (AFM) analyses. Markedly, the mesoporous RE-sph-MOF-5 expresses high mechanical stability despite its large mesoporous cavities.

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

Understanding the Active Site Structures and Achieving Catalytic Activity Tuning of Atomically Dispersed FeN 4 Sites for Oxygen Reduction Reaction

Atomically dispersed Fe–—N—C catalysts with high oxygen reduction reaction (ORR) activity have attracted great attention since the last decade. Due to comparable ORR activity and low material cost, they are promising platinum group metal (PGM)-free catalysts that can replace the commercialized Pt/C materials; furthermore, it can facilitate the efficiency of the fuel cell technologies and mitigate dependence on fossil fuels. Great advancements have been made to experimentally optimize the synthesis approach of the Fe–—N—C catalysts, enhance the ORR activity, and improve the catalyst stability. Similarly, recent theoretical studies also provide enriched understanding of the active site structures, properties, and reaction mechanisms. In this review, discussions are made upon utilizing combined experimental and computational spectroscopy to reveal the active site structures, employing mechanistic studies to investigate reaction thermodynamics and kinetics, as well as developing scaling relationships to assist the design and development of future PGM-free catalyst materials. Furthermore, recent advances in studying Fe–—N—C catalysts utilizing electrified surface models and explicit solvation models are also discussed. Not only can these aspects improve the accuracy of theoretical simulation and predictions but also deepen the understanding of the catalyst properties and reaction mechanisms under the effect of surface charges and solvent molecules.

Fe single-atom catalysts↗
DOE OSTI2021

Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1

Acid-sensing ion channels (ASICs) are proton-gated cation channels critical for neuronal functions. Studies of ASIC1, a major ASIC isoform and proton sensor, have identified acidic pocket, an extracellular region enriched in acidic residues, as a key participant in channel gating. While binding to this region by the venom peptide psalmotoxin modulates channel gating, molecular and structural mechanisms of ASIC gating modulation by small molecules are poorly understood. Here, combining functional, crystallographic, computational and mutational approaches, we show that two structurally distinct small molecules potently and allosterically inhibit channel activation and desensitization by binding at the acidic pocket and stabilizing the closed state of rat/chicken ASIC1. Our work identifies a previously unidentified binding site, elucidates a molecular mechanism of small molecule modulation of ASIC gating, and demonstrates directly the structural basis of such modulation, providing mechanistic and structural insight into ASIC gating, modulation and therapeutic targeting.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Structural metamaterials with innate capacitive and resistive sensing

Interpenetrating lattices consist of two or more interwoven but physically separate sub-lattices with unique behaviors derived from their multi-body construction. If the sublattices are constructed or coated with an electrically conducting material, the close proximity and high surface area of the electrically isolated conductors allow the two lattices to interact electromagnetically either across the initial dielectric filled gap or through physical contact. Furthermore, changes in the size of the dielectric gap between the sub-lattices induced by deformation can be measured via capacitance or resistance, allowing a structurally competent lattice to operate as a force or deformation sensor. In addition to resistive and capacitive deformation sensing, this work explores capacitance as a fundamental metamaterial property and the environmental sensing behaviors of interpenetrating lattices.

Computational Solid Mechanics↗
NASA NTRS1993

Analysis Of Fractures In Sublaminates

Computational procedure developed to predict mechanical behavior and interactions of individual plies or sublaminates of fiber/matrix laminate structures. Embodied in computer code, procedure useful for computation of stresses in regions affected by delaminations, transverse cracks, discontinuities caused by manufacturing errors, configurations, and loading conditions. Analysis applied to all layers in laminate or to only few layers surrounding defects.

Valisetty, R. R.↗
DOE OSTI2022

Machine learning prediction of the mechanical properties of refractory multicomponent alloys based on a dataset of phase and first principles simulation

In this work, a dataset including structural and mechanical properties of refractory multicomponent alloys was developed by fusing computations of phase diagram (CALPHAD) and density functional theory (DFT). The refractory multicomponent alloys, also named refractory complex concentrated alloys (CCAs) which contain 2–5 types of refractory elements were constructed based on Special Quasi-random Structure (SQS). The phase of alloys was predicted using CALPHAD and the mechanical property of alloys with stable and single body-centered cubic (BCC) at high temperature (over 1,500°C) was investigated using DFT-based simulation. As a result, a dataset with 393 refractory alloys and 12 features, including volume, melting temperature, density, energy, elastic constants, mechanical moduli, and hardness, were produced. To test the capability of the dataset on supporting machine learning (ML) study to investigate the property of CCAs, CALPHAD, and DFT calculations were compared with principal components analysis (PCA) technique and rule of mixture (ROM), respectively. It is demonstrated that the CALPHAD and DFT results are more in line with experimental observations for the alloy phase, structural and mechanical properties. Furthermore, the data were utilized to train a verity of ML models to predict the performance of certain CCAs with advanced mechanical properties, highlighting the usefulness of the dataset for ML technique on CCA property prediction.

36 MATERIALS SCIENCE↗