A Statistical Approach for the Concurrent Coupling of Molecular Dynamics and Finite Element Methods

NASA Technical Reports Server (NTRS)

Saether, E.; Yamakov, V.; Glaessgen, E.

2007-01-01

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, increasing the size of the MD domain quickly presents intractable computational demands. A robust approach to surmount this computational limitation has been to unite continuum modeling procedures such as the finite element method (FEM) with MD analyses thereby reducing the region of atomic scale refinement. The challenging problem is to seamlessly connect the two inherently different simulation techniques at their interface. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the typical boundary value problem used to define a coupled domain. The method uses statistical averaging of the atomistic MD domain to provide displacement interface boundary conditions to the surrounding continuum FEM region, which, in return, generates interface reaction forces applied as piecewise constant traction boundary conditions to the MD domain. The two systems are computationally disconnected and communicate only through a continuous update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM) as opposed to a direct coupling method where interface atoms and FEM nodes are individually related. The methodology is inherently applicable to three-dimensional domains, avoids discretization of the continuum model down to atomic scales, and permits arbitrary temperatures to be applied.

Nanoindentation of Pseudomonas aeruginosa bacterial biofilm using atomic force microscopy

NASA Astrophysics Data System (ADS)

Baniasadi, Mahmoud; Xu, Zhe; Gandee, Leah; Du, Yingjie; Lu, Hongbing; Zimmern, Philippe; Minary-Jolandan, Majid

2014-12-01

Bacterial biofilms are a source of many chronic infections. Biofilms and their inherent resistance to antibiotics are attributable to a range of health issues including affecting prosthetic implants, hospital-acquired infections, and wound infection. Mechanical properties of biofilm, in particular, at micro- and nano-scales, are governed by microstructures and porosity of the biofilm, which in turn may contribute to their inherent antibiotic resistance. We utilize atomic force microscopy (AFM)-based nanoindentation and finite element simulation to investigate the nanoscale mechanical properties of Pseudomonas aeruginosa bacterial biofilm. This biofilm was derived from human samples and represents a medically relevant model.

Partition-of-unity finite-element method for large scale quantum molecular dynamics on massively parallel computational platforms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pask, J E; Sukumar, N; Guney, M

2011-02-28

Over the course of the past two decades, quantum mechanical calculations have emerged as a key component of modern materials research. However, the solution of the required quantum mechanical equations is a formidable task and this has severely limited the range of materials systems which can be investigated by such accurate, quantum mechanical means. The current state of the art for large-scale quantum simulations is the planewave (PW) method, as implemented in now ubiquitous VASP, ABINIT, and QBox codes, among many others. However, since the PW method uses a global Fourier basis, with strictly uniform resolution at all points inmore » space, and in which every basis function overlaps every other at every point, it suffers from substantial inefficiencies in calculations involving atoms with localized states, such as first-row and transition-metal atoms, and requires substantial nonlocal communications in parallel implementations, placing critical limits on scalability. In recent years, real-space methods such as finite-differences (FD) and finite-elements (FE) have been developed to address these deficiencies by reformulating the required quantum mechanical equations in a strictly local representation. However, while addressing both resolution and parallel-communications problems, such local real-space approaches have been plagued by one key disadvantage relative to planewaves: excessive degrees of freedom (grid points, basis functions) needed to achieve the required accuracies. And so, despite critical limitations, the PW method remains the standard today. In this work, we show for the first time that this key remaining disadvantage of real-space methods can in fact be overcome: by building known atomic physics into the solution process using modern partition-of-unity (PU) techniques in finite element analysis. Indeed, our results show order-of-magnitude reductions in basis size relative to state-of-the-art planewave based methods. The method developed here is completely general, applicable to any crystal symmetry and to both metals and insulators alike. We have developed and implemented a full self-consistent Kohn-Sham method, including both total energies and forces for molecular dynamics, and developed a full MPI parallel implementation for large-scale calculations. We have applied the method to the gamut of physical systems, from simple insulating systems with light atoms to complex d- and f-electron systems, requiring large numbers of atomic-orbital enrichments. In every case, the new PU FE method attained the required accuracies with substantially fewer degrees of freedom, typically by an order of magnitude or more, than the current state-of-the-art PW method. Finally, our initial MPI implementation has shown excellent parallel scaling of the most time-critical parts of the code up to 1728 processors, with clear indications of what will be required to achieve comparable scaling for the rest. Having shown that the key remaining disadvantage of real-space methods can in fact be overcome, the work has attracted significant attention: with sixteen invited talks, both domestic and international, so far; two papers published and another in preparation; and three new university and/or national laboratory collaborations, securing external funding to pursue a number of related research directions. Having demonstrated the proof of principle, work now centers on the necessary extensions and optimizations required to bring the prototype method and code delivered here to production applications.« less

Parallel algorithm for multiscale atomistic/continuum simulations using LAMMPS

NASA Astrophysics Data System (ADS)

Pavia, F.; Curtin, W. A.

2015-07-01

Deformation and fracture processes in engineering materials often require simultaneous descriptions over a range of length and time scales, with each scale using a different computational technique. Here we present a high-performance parallel 3D computing framework for executing large multiscale studies that couple an atomic domain, modeled using molecular dynamics and a continuum domain, modeled using explicit finite elements. We use the robust Coupled Atomistic/Discrete-Dislocation (CADD) displacement-coupling method, but without the transfer of dislocations between atoms and continuum. The main purpose of the work is to provide a multiscale implementation within an existing large-scale parallel molecular dynamics code (LAMMPS) that enables use of all the tools associated with this popular open-source code, while extending CADD-type coupling to 3D. Validation of the implementation includes the demonstration of (i) stability in finite-temperature dynamics using Langevin dynamics, (ii) elimination of wave reflections due to large dynamic events occurring in the MD region and (iii) the absence of spurious forces acting on dislocations due to the MD/FE coupling, for dislocations further than 10 Å from the coupling boundary. A first non-trivial example application of dislocation glide and bowing around obstacles is shown, for dislocation lengths of ∼50 nm using fewer than 1 000 000 atoms but reproducing results of extremely large atomistic simulations at much lower computational cost.

A Finite Element Framework for Studying the Mechanical Response of Macromolecules: Application to the Gating of the Mechanosensitive Channel MscL

PubMed Central

Tang, Yuye; Cao, Guoxin; Chen, Xi; Yoo, Jejoong; Yethiraj, Arun; Cui, Qiang

2006-01-01

The gating pathways of mechanosensitive channels of large conductance (MscL) in two bacteria (Mycobacterium tuberculosis and Escherichia coli) are studied using the finite element method. The phenomenological model treats transmembrane helices as elastic rods and the lipid membrane as an elastic sheet of finite thickness; the model is inspired by the crystal structure of MscL. The interactions between various continuum components are derived from molecular-mechanics energy calculations using the CHARMM all-atom force field. Both bacterial MscLs open fully upon in-plane tension in the membrane and the variation of pore diameter with membrane tension is found to be essentially linear. The estimated gating tension is close to the experimental value. The structural variations along the gating pathway are consistent with previous analyses based on structural models with experimental constraints and biased atomistic molecular-dynamics simulations. Upon membrane bending, neither MscL opens substantially, although there is notable and nonmonotonic variation in the pore radius. This emphasizes that the gating behavior of MscL depends critically on the form of the mechanical perturbation and reinforces the idea that the crucial gating parameter is lateral tension in the membrane rather than the curvature of the membrane. Compared to popular all-atom-based techniques such as targeted or steered molecular-dynamics simulations, the finite element method-based continuum-mechanics framework offers a unique alternative to bridge detailed intermolecular interactions and biological processes occurring at large spatial scales and long timescales. It is envisioned that such a hierarchical multiscale framework will find great value in the study of a variety of biological processes involving complex mechanical deformations such as muscle contraction and mechanotransduction. PMID:16731564

A parallel finite element simulator for ion transport through three-dimensional ion channel systems.

PubMed

Tu, Bin; Chen, Minxin; Xie, Yan; Zhang, Linbo; Eisenberg, Bob; Lu, Benzhuo

2013-09-15

A parallel finite element simulator, ichannel, is developed for ion transport through three-dimensional ion channel systems that consist of protein and membrane. The coordinates of heavy atoms of the protein are taken from the Protein Data Bank and the membrane is represented as a slab. The simulator contains two components: a parallel adaptive finite element solver for a set of Poisson-Nernst-Planck (PNP) equations that describe the electrodiffusion process of ion transport, and a mesh generation tool chain for ion channel systems, which is an essential component for the finite element computations. The finite element method has advantages in modeling irregular geometries and complex boundary conditions. We have built a tool chain to get the surface and volume mesh for ion channel systems, which consists of a set of mesh generation tools. The adaptive finite element solver in our simulator is implemented using the parallel adaptive finite element package Parallel Hierarchical Grid (PHG) developed by one of the authors, which provides the capability of doing large scale parallel computations with high parallel efficiency and the flexibility of choosing high order elements to achieve high order accuracy. The simulator is applied to a real transmembrane protein, the gramicidin A (gA) channel protein, to calculate the electrostatic potential, ion concentrations and I - V curve, with which both primitive and transformed PNP equations are studied and their numerical performances are compared. To further validate the method, we also apply the simulator to two other ion channel systems, the voltage dependent anion channel (VDAC) and α-Hemolysin (α-HL). The simulation results agree well with Brownian dynamics (BD) simulation results and experimental results. Moreover, because ionic finite size effects can be included in PNP model now, we also perform simulations using a size-modified PNP (SMPNP) model on VDAC and α-HL. It is shown that the size effects in SMPNP can effectively lead to reduced current in the channel, and the results are closer to BD simulation results. Copyright © 2013 Wiley Periodicals, Inc.

Shock Wave Propagation in Cementitious Materials at Micro/Meso Scales

NASA Astrophysics Data System (ADS)

Rajendran, Arunachalam

2015-06-01

The mechanical and constitutive response of materials like cement, and bio materials like fish scale and abalone shell is very complex due to heterogeneities that are inherently present in the nano and microstructures. The intrinsic constitutive behaviors are driven by the chemical composition and the molecular, micro, and meso structures. Therefore, it becomes important to identify the material genome as the building block for the material. For instance, in cementitious materials, the genome of C-S-H phase (the glue or the paste) that holds the various clinkers, such as the dicalcium silicate, tricalcium silicate, calcium ferroaluminates, and others is extremely complex. Often mechanical behaviors of C-S-H type materials are influenced by the chemistry and the structures at all nano to micro length scales. By explicitly modeling the molecular structures using appropriate potentials, it is then possible to compute the elastic tensor from molecular dynamics simulations using all atom method. The elastic tensors for the C-S-H gel and other clinkers are determined using the software suite ``Accelrys Materials Studio.'' A strain rate dependent, fracture mechanics based tensile damage model has been incorporated into ABAQUS finite element code to model spall evolution in the heterogeneous cementitious material with all constituents explicitly modeled through one micron element resolution. This paper presents results from nano/micro/meso scale analyses of shock wave propagation in a heterogeneous cementitious material using both molecular dynamic and finite element codes.

On the Use of a Mixed Gaussian/Finite-Element Basis Set for the Calculation of Rydberg States

NASA Technical Reports Server (NTRS)

Thuemmel, Helmar T.; Langhoff, Stephen (Technical Monitor)

1996-01-01

Configuration-interaction studies are reported for the Rydberg states of the helium atom using mixed Gaussian/finite-element (GTO/FE) one particle basis sets. Standard Gaussian valence basis sets are employed, like those, used extensively in quantum chemistry calculations. It is shown that the term values for high-lying Rydberg states of the helium atom can be obtained accurately (within 1 cm -1), even for a small GTO set, by augmenting the n-particle space with configurations, where orthonormalized interpolation polynomials are singly occupied.

Using molecular dynamics simulations and finite element method to study the mechanical properties of nanotube reinforced polyethylene and polyketone

NASA Astrophysics Data System (ADS)

Rouhi, S.; Alizadeh, Y.; Ansari, R.; Aryayi, M.

2015-09-01

Molecular dynamics simulations are used to study the mechanical behavior of single-walled carbon nanotube reinforced composites. Polyethylene and polyketone are selected as the polymer matrices. The effects of nanotube atomic structure and diameter on the mechanical properties of polymer matrix nanocomposites are investigated. It is shown that although adding nanotube to the polymer matrix raises the longitudinal elastic modulus significantly, the transverse tensile and shear moduli do not experience important change. As the previous finite element models could not be used for polymer matrices with the atom types other than carbon, molecular dynamics simulations are used to propose a finite element model which can be used for any polymer matrices. It is shown that this model can predict Young’s modulus with an acceptable accuracy.

Direct Density Functional Energy Minimization using an Tetrahedral Finite Element Grid

NASA Astrophysics Data System (ADS)

Vaught, A.; Schmidt, K. E.; Chizmeshya, A. V. G.

1998-03-01

We describe an O(N) (N proportional to volume) technique for solving electronic structure problems using the finite element method (FEM). A real--space tetrahedral grid is used as a basis to represent the electronic density, of a free or periodic system and Poisson's equation is solved as a boundary value problem. Nuclear cusps are treated using a local grid consisting of radial elements. These features facilitate the implementation of complicated energy functionals and permit a direct (constrained) energy minimization with respect to the density. We demonstrate the usefulness of the scheme by calculating the binding trends and polarizabilities of a number of atoms and molecules using a number of recently proposed non--local, orbital--free kinetic energy functionals^1,2. Scaling behavior, computational efficiency and the generalization to band--structure will also be discussed. indent 0 pt øbeylines øbeyspaces skip 0 pt ^1 P. Garcia-Gonzalez, J.E. Alvarellos and E. Chacon, Phys. Rev. B 54, 1897 (1996). ^2 A. J. Thakkar, Phys.Rev.B 46, 6920 (1992).

Nonlocal and Mixed-Locality Multiscale Finite Element Methods

DOE PAGES

Costa, Timothy B.; Bond, Stephen D.; Littlewood, David J.

2018-03-27

In many applications the resolution of small-scale heterogeneities remains a significant hurdle to robust and reliable predictive simulations. In particular, while material variability at the mesoscale plays a fundamental role in processes such as material failure, the resolution required to capture mechanisms at this scale is often computationally intractable. Multiscale methods aim to overcome this difficulty through judicious choice of a subscale problem and a robust manner of passing information between scales. One promising approach is the multiscale finite element method, which increases the fidelity of macroscale simulations by solving lower-scale problems that produce enriched multiscale basis functions. Here, inmore » this study, we present the first work toward application of the multiscale finite element method to the nonlocal peridynamic theory of solid mechanics. This is achieved within the context of a discontinuous Galerkin framework that facilitates the description of material discontinuities and does not assume the existence of spatial derivatives. Analysis of the resulting nonlocal multiscale finite element method is achieved using the ambulant Galerkin method, developed here with sufficient generality to allow for application to multiscale finite element methods for both local and nonlocal models that satisfy minimal assumptions. Finally, we conclude with preliminary results on a mixed-locality multiscale finite element method in which a nonlocal model is applied at the fine scale and a local model at the coarse scale.« less

Nonlocal and Mixed-Locality Multiscale Finite Element Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Costa, Timothy B.; Bond, Stephen D.; Littlewood, David J.

In many applications the resolution of small-scale heterogeneities remains a significant hurdle to robust and reliable predictive simulations. In particular, while material variability at the mesoscale plays a fundamental role in processes such as material failure, the resolution required to capture mechanisms at this scale is often computationally intractable. Multiscale methods aim to overcome this difficulty through judicious choice of a subscale problem and a robust manner of passing information between scales. One promising approach is the multiscale finite element method, which increases the fidelity of macroscale simulations by solving lower-scale problems that produce enriched multiscale basis functions. Here, inmore » this study, we present the first work toward application of the multiscale finite element method to the nonlocal peridynamic theory of solid mechanics. This is achieved within the context of a discontinuous Galerkin framework that facilitates the description of material discontinuities and does not assume the existence of spatial derivatives. Analysis of the resulting nonlocal multiscale finite element method is achieved using the ambulant Galerkin method, developed here with sufficient generality to allow for application to multiscale finite element methods for both local and nonlocal models that satisfy minimal assumptions. Finally, we conclude with preliminary results on a mixed-locality multiscale finite element method in which a nonlocal model is applied at the fine scale and a local model at the coarse scale.« less

The aggregated unfitted finite element method for elliptic problems

NASA Astrophysics Data System (ADS)

Badia, Santiago; Verdugo, Francesc; Martín, Alberto F.

2018-07-01

Unfitted finite element techniques are valuable tools in different applications where the generation of body-fitted meshes is difficult. However, these techniques are prone to severe ill conditioning problems that obstruct the efficient use of iterative Krylov methods and, in consequence, hinders the practical usage of unfitted methods for realistic large scale applications. In this work, we present a technique that addresses such conditioning problems by constructing enhanced finite element spaces based on a cell aggregation technique. The presented method, called aggregated unfitted finite element method, is easy to implement, and can be used, in contrast to previous works, in Galerkin approximations of coercive problems with conforming Lagrangian finite element spaces. The mathematical analysis of the new method states that the condition number of the resulting linear system matrix scales as in standard finite elements for body-fitted meshes, without being affected by small cut cells, and that the method leads to the optimal finite element convergence order. These theoretical results are confirmed with 2D and 3D numerical experiments.

Solving the three-body Coulomb breakup problem using exterior complex scaling

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCurdy, C.W.; Baertschy, M.; Rescigno, T.N.

2004-05-17

Electron-impact ionization of the hydrogen atom is the prototypical three-body Coulomb breakup problem in quantum mechanics. The combination of subtle correlation effects and the difficult boundary conditions required to describe two electrons in the continuum have made this one of the outstanding challenges of atomic physics. A complete solution of this problem in the form of a ''reduction to computation'' of all aspects of the physics is given by the application of exterior complex scaling, a modern variant of the mathematical tool of analytic continuation of the electronic coordinates into the complex plane that was used historically to establish themore » formal analytic properties of the scattering matrix. This review first discusses the essential difficulties of the three-body Coulomb breakup problem in quantum mechanics. It then describes the formal basis of exterior complex scaling of electronic coordinates as well as the details of its numerical implementation using a variety of methods including finite difference, finite elements, discrete variable representations, and B-splines. Given these numerical implementations of exterior complex scaling, the scattering wave function can be generated with arbitrary accuracy on any finite volume in the space of electronic coordinates, but there remains the fundamental problem of extracting the breakup amplitudes from it. Methods are described for evaluating these amplitudes. The question of the volume-dependent overall phase that appears in the formal theory of ionization is resolved. A summary is presented of accurate results that have been obtained for the case of electron-impact ionization of hydrogen as well as a discussion of applications to the double photoionization of helium.« less

A Method for Combining Experimentation and Molecular Dynamics Simulation to Improve Cohesive Zone Models for Metallic Microstructures

NASA Technical Reports Server (NTRS)

Hochhalter, J. D.; Glaessgen, E. H.; Ingraffea, A. R.; Aquino, W. A.

2009-01-01

Fracture processes within a material begin at the nanometer length scale at which the formation, propagation, and interaction of fundamental damage mechanisms occur. Physics-based modeling of these atomic processes quickly becomes computationally intractable as the system size increases. Thus, a multiscale modeling method, based on the aggregation of fundamental damage processes occurring at the nanoscale within a cohesive zone model, is under development and will enable computationally feasible and physically meaningful microscale fracture simulation in polycrystalline metals. This method employs atomistic simulation to provide an optimization loop with an initial prediction of a cohesive zone model (CZM). This initial CZM is then applied at the crack front region within a finite element model. The optimization procedure iterates upon the CZM until the finite element model acceptably reproduces the near-crack-front displacement fields obtained from experimental observation. With this approach, a comparison can be made between the original CZM predicted by atomistic simulation and the converged CZM that is based on experimental observation. Comparison of the two CZMs gives insight into how atomistic simulation scales.

Algorithm for quantum-mechanical finite-nuclear-mass variational calculations of atoms with two p electrons using all-electron explicitly correlated Gaussian basis functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharkey, Keeper L.; Pavanello, Michele; Bubin, Sergiy

2009-12-15

A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated Gaussian functions for quantum-mechanical calculations of atoms with two p electrons or a single d electron have been derived and implemented. The Hamiltonian used in the approach was obtained by rigorously separating the center-of-mass motion and it explicitly depends on the finite mass of the nucleus. The approach was employed to perform test calculations on the isotopes of the carbon atom in their ground electronic states and to determine the finite-nuclear-mass corrections for these states.

Application of the multi-scale finite element method to wave propagation problems in damaged structures

NASA Astrophysics Data System (ADS)

Casadei, F.; Ruzzene, M.

2011-04-01

This work illustrates the possibility to extend the field of application of the Multi-Scale Finite Element Method (MsFEM) to structural mechanics problems that involve localized geometrical discontinuities like cracks or notches. The main idea is to construct finite elements with an arbitrary number of edge nodes that describe the actual geometry of the damage with shape functions that are defined as local solutions of the differential operator of the specific problem according to the MsFEM approach. The small scale information are then brought to the large scale model through the coupling of the global system matrices that are assembled using classical finite element procedures. The efficiency of the method is demonstrated through selected numerical examples that constitute classical problems of great interest to the structural health monitoring community.

Micro-scale finite element modeling of ultrasound propagation in aluminum trabecular bone-mimicking phantoms: A comparison between numerical simulation and experimental results.

PubMed

Vafaeian, B; Le, L H; Tran, T N H T; El-Rich, M; El-Bialy, T; Adeeb, S

2016-05-01

The present study investigated the accuracy of micro-scale finite element modeling for simulating broadband ultrasound propagation in water-saturated trabecular bone-mimicking phantoms. To this end, five commercially manufactured aluminum foam samples as trabecular bone-mimicking phantoms were utilized for ultrasonic immersion through-transmission experiments. Based on micro-computed tomography images of the same physical samples, three-dimensional high-resolution computational samples were generated to be implemented in the micro-scale finite element models. The finite element models employed the standard Galerkin finite element method (FEM) in time domain to simulate the ultrasonic experiments. The numerical simulations did not include energy dissipative mechanisms of ultrasonic attenuation; however, they expectedly simulated reflection, refraction, scattering, and wave mode conversion. The accuracy of the finite element simulations were evaluated by comparing the simulated ultrasonic attenuation and velocity with the experimental data. The maximum and the average relative errors between the experimental and simulated attenuation coefficients in the frequency range of 0.6-1.4 MHz were 17% and 6% respectively. Moreover, the simulations closely predicted the time-of-flight based velocities and the phase velocities of ultrasound with maximum relative errors of 20 m/s and 11 m/s respectively. The results of this study strongly suggest that micro-scale finite element modeling can effectively simulate broadband ultrasound propagation in water-saturated trabecular bone-mimicking structures. Copyright © 2016 Elsevier B.V. All rights reserved.

Vectorial finite elements for solving the radiative transfer equation

NASA Astrophysics Data System (ADS)

Badri, M. A.; Jolivet, P.; Rousseau, B.; Le Corre, S.; Digonnet, H.; Favennec, Y.

2018-06-01

The discrete ordinate method coupled with the finite element method is often used for the spatio-angular discretization of the radiative transfer equation. In this paper we attempt to improve upon such a discretization technique. Instead of using standard finite elements, we reformulate the radiative transfer equation using vectorial finite elements. In comparison to standard finite elements, this reformulation yields faster timings for the linear system assemblies, as well as for the solution phase when using scattering media. The proposed vectorial finite element discretization for solving the radiative transfer equation is cross-validated against a benchmark problem available in literature. In addition, we have used the method of manufactured solutions to verify the order of accuracy for our discretization technique within different absorbing, scattering, and emitting media. For solving large problems of radiation on parallel computers, the vectorial finite element method is parallelized using domain decomposition. The proposed domain decomposition method scales on large number of processes, and its performance is unaffected by the changes in optical thickness of the medium. Our parallel solver is used to solve a large scale radiative transfer problem of the Kelvin-cell radiation.

Application of the Finite Element Method in Atomic and Molecular Physics

NASA Technical Reports Server (NTRS)

Shertzer, Janine

2007-01-01

The finite element method (FEM) is a numerical algorithm for solving second order differential equations. It has been successfully used to solve many problems in atomic and molecular physics, including bound state and scattering calculations. To illustrate the diversity of the method, we present here details of two applications. First, we calculate the non-adiabatic dipole polarizability of Hi by directly solving the first and second order equations of perturbation theory with FEM. In the second application, we calculate the scattering amplitude for e-H scattering (without partial wave analysis) by reducing the Schrodinger equation to set of integro-differential equations, which are then solved with FEM.

Efficient FEM simulation of static and free vibration behavior of single walled boron nitride nanotubes

NASA Astrophysics Data System (ADS)

Giannopoulos, Georgios I.; Kontoni, Denise-Penelope N.; Georgantzinos, Stylianos K.

2016-08-01

This paper describes the static and free vibration behavior of single walled boron nitride nanotubes using a structural mechanics based finite element method. First, depending on the type of nanotube under investigation, its three dimensional nanostructure is developed according to the well-known corresponding positions of boron and nitride atoms as well as boron nitride bonds. Then, appropriate point masses are assigned to the atomic positions of the developed space frame. Next, these point masses are suitably interconnected with two-noded, linear, spring-like, finite elements. In order to simulate effectively the interactions observed between boron and nitride atoms within the nanotube, appropriate potential energy functions are introduced for these finite elements. In this manner, various atomistic models for both armchair and zigzag nanotubes with different aspect ratios are numerically analyzed and their effective elastic modulus as well as their natural frequencies and corresponding mode shapes are obtained. Regarding the free vibration analysis, the computed results reveal bending, breathing and axial modes of vibration depending on the nanotube size and chirality as well as the applied boundary support conditions. The longitudinal stiffness of the boron nitride nanotubes is found also sensitive to their geometric characteristics.

Note: High-speed Z tip scanner with screw cantilever holding mechanism for atomic-resolution atomic force microscopy in liquid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reza Akrami, Seyed Mohammad; Miyata, Kazuki; Asakawa, Hitoshi

High-speed atomic force microscopy has attracted much attention due to its unique capability of visualizing nanoscale dynamic processes at a solid/liquid interface. However, its usability and resolution have yet to be improved. As one of the solutions for this issue, here we present a design of a high-speed Z-tip scanner with screw holding mechanism. We perform detailed comparison between designs with different actuator size and screw arrangement by finite element analysis. Based on the design giving the best performance, we have developed a Z tip scanner and measured its performance. The measured frequency response of the scanner shows a flatmore » response up to ∼10 kHz. This high frequency response allows us to achieve wideband tip-sample distance regulation. We demonstrate the applicability of the scanner to high-speed atomic-resolution imaging by visualizing atomic-scale calcite crystal dissolution process in water at 2 s/frame.« less

Finite element meshing of ANSYS (trademark) solid models

NASA Technical Reports Server (NTRS)

Kelley, F. S.

1987-01-01

A large scale, general purpose finite element computer program, ANSYS, developed and marketed by Swanson Analysis Systems, Inc. is discussed. ANSYS was perhaps the first commercially available program to offer truly interactive finite element model generation. ANSYS's purpose is for solid modeling. This application is briefly discussed and illustrated.

Defects controlled wrinkling and topological design in graphene

NASA Astrophysics Data System (ADS)

Zhang, Teng; Li, Xiaoyan; Gao, Huajian

2014-07-01

Due to its atomic scale thickness, the deformation energy in a free standing graphene sheet can be easily released through out-of-plane wrinkles which, if controllable, may be used to tune the electrical and mechanical properties of graphene. Here we adopt a generalized von Karman equation for a flexible solid membrane to describe graphene wrinkling induced by a prescribed distribution of topological defects such as disclinations (heptagons or pentagons) and dislocations (heptagon-pentagon dipoles). In this framework, a given distribution of topological defects in a graphene sheet is represented as an eigenstrain field which is determined from a Poisson equation and can be conveniently implemented in finite element (FEM) simulations. Comparison with atomistic simulations indicates that the proposed model, with only three parameters (i.e., bond length, stretching modulus and bending stiffness), is capable of accurately predicting the atomic scale wrinkles near disclination/dislocation cores while also capturing the large scale graphene configurations under specific defect distributions such as those leading to a sinusoidal surface ruga2

Peridynamic Multiscale Finite Element Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Costa, Timothy; Bond, Stephen D.; Littlewood, David John

The problem of computing quantum-accurate design-scale solutions to mechanics problems is rich with applications and serves as the background to modern multiscale science research. The prob- lem can be broken into component problems comprised of communicating across adjacent scales, which when strung together create a pipeline for information to travel from quantum scales to design scales. Traditionally, this involves connections between a) quantum electronic structure calculations and molecular dynamics and between b) molecular dynamics and local partial differ- ential equation models at the design scale. The second step, b), is particularly challenging since the appropriate scales of molecular dynamic andmore » local partial differential equation models do not overlap. The peridynamic model for continuum mechanics provides an advantage in this endeavor, as the basic equations of peridynamics are valid at a wide range of scales limiting from the classical partial differential equation models valid at the design scale to the scale of molecular dynamics. In this work we focus on the development of multiscale finite element methods for the peridynamic model, in an effort to create a mathematically consistent channel for microscale information to travel from the upper limits of the molecular dynamics scale to the design scale. In particular, we first develop a Nonlocal Multiscale Finite Element Method which solves the peridynamic model at multiple scales to include microscale information at the coarse-scale. We then consider a method that solves a fine-scale peridynamic model to build element-support basis functions for a coarse- scale local partial differential equation model, called the Mixed Locality Multiscale Finite Element Method. Given decades of research and development into finite element codes for the local partial differential equation models of continuum mechanics there is a strong desire to couple local and nonlocal models to leverage the speed and state of the art of local models with the flexibility and accuracy of the nonlocal peridynamic model. In the mixed locality method this coupling occurs across scales, so that the nonlocal model can be used to communicate material heterogeneity at scales inappropriate to local partial differential equation models. Additionally, the computational burden of the weak form of the peridynamic model is reduced dramatically by only requiring that the model be solved on local patches of the simulation domain which may be computed in parallel, taking advantage of the heterogeneous nature of next generation computing platforms. Addition- ally, we present a novel Galerkin framework, the 'Ambulant Galerkin Method', which represents a first step towards a unified mathematical analysis of local and nonlocal multiscale finite element methods, and whose future extension will allow the analysis of multiscale finite element methods that mix models across scales under certain assumptions of the consistency of those models.« less

Single walled boron nitride nanotube-based biosensor: an atomistic finite element modelling approach.

PubMed

Panchal, Mitesh B; Upadhyay, Sanjay H

2014-09-01

The unprecedented dynamic characteristics of nanoelectromechanical systems make them suitable for nanoscale mass sensing applications. Owing to superior biocompatibility, boron nitride nanotubes (BNNTs) are being increasingly used for such applications. In this study, the feasibility of single walled BNNT (SWBNNT)-based bio-sensor has been explored. Molecular structural mechanics-based finite element (FE) modelling approach has been used to analyse the dynamic behaviour of SWBNNT-based biosensors. The application of an SWBNNT-based mass sensing for zeptogram level of mass has been reported. Also, the effect of size of the nanotube in terms of length as well as different chiral atomic structures of SWBNNT has been analysed for their sensitivity analysis. The vibrational behaviour of SWBNNT has been analysed for higher-order modes of vibrations to identify the intermediate landing position of biological object of zeptogram scale. The present molecular structural mechanics-based FE modelling approach is found to be very effectual to incorporate different chiralities of the atomic structures. Also, different boundary conditions can be effectively simulated using the present approach to analyse the dynamic behaviour of the SWBNNT-based mass sensor. The presented study has explored the potential of SWBNNT, as a nanobiosensor having the capability of zeptogram level mass sensing.

Modeling the mechanical properties of ultra-thin polymer films [Structural modeling of films of atomic scale thickness

DOE PAGES

Espinosa-Loza, Francisco; Stadermann, Michael; Aracne-Ruddle, Chantel; ...

2017-11-16

A modeling method to extract the mechanical properties of ultra-thin films (10–100 nm thick) from experimental data generated by indentation of freestanding circular films using a spherical indenter is presented. The relationship between the mechanical properties of the film and experimental parameters including load, and deflection are discussed in the context of a constitutive material model, test variables, and analytical approaches. As a result, elastic and plastic regimes are identified by comparison of finite element simulation and experimental data.

Modeling the mechanical properties of ultra-thin polymer films [Structural modeling of films of atomic scale thickness

DOE Office of Scientific and Technical Information (OSTI.GOV)

Espinosa-Loza, Francisco; Stadermann, Michael; Aracne-Ruddle, Chantel

A modeling method to extract the mechanical properties of ultra-thin films (10–100 nm thick) from experimental data generated by indentation of freestanding circular films using a spherical indenter is presented. The relationship between the mechanical properties of the film and experimental parameters including load, and deflection are discussed in the context of a constitutive material model, test variables, and analytical approaches. As a result, elastic and plastic regimes are identified by comparison of finite element simulation and experimental data.

Finite-size scaling analysis in the two-photon Dicke model

NASA Astrophysics Data System (ADS)

Chen, Xiang-You; Zhang, Yu-Yu

2018-05-01

We perform a Schrieffer-Wolff transformation to the two-photon Dicke model by keeping the leading-order correction with a quartic term of the field, which is crucial for finite-size scaling analysis. Besides a spectral collapse as a consequence of two-photon interaction, the super-radiant phase transition is indicated by the vanishing of the excitation energy and the uniform atomic polarization. The scaling functions for the ground-state energy and the atomic pseudospin are derived analytically. The scaling exponents of the observables are the same as those in the standard Dicke model, indicating they are in the same universality class.

System-Integrated Finite Element Analysis of a Full-Scale Helicopter Crash Test with Deployable Energy Absorbers

NASA Technical Reports Server (NTRS)

Annett, Martin S.; Polanco, Michael A.

2010-01-01

A full-scale crash test of an MD-500 helicopter was conducted in December 2009 at NASA Langley's Landing and Impact Research facility (LandIR). The MD-500 helicopter was fitted with a composite honeycomb Deployable Energy Absorber (DEA) and tested under vertical and horizontal impact velocities of 26-ft/sec and 40-ft/sec, respectively. The objectives of the test were to evaluate the performance of the DEA concept under realistic crash conditions and to generate test data for validation of a system integrated finite element model. In preparation for the full-scale crash test, a series of sub-scale and MD-500 mass simulator tests was conducted to evaluate the impact performances of various components, including a new crush tube and the DEA blocks. Parameters defined within the system integrated finite element model were determined from these tests. The objective of this paper is to summarize the finite element models developed and analyses performed, beginning with pre-test predictions and continuing through post-test validation.

A class of hybrid finite element methods for electromagnetics: A review

NASA Technical Reports Server (NTRS)

Volakis, J. L.; Chatterjee, A.; Gong, J.

1993-01-01

Integral equation methods have generally been the workhorse for antenna and scattering computations. In the case of antennas, they continue to be the prominent computational approach, but for scattering applications the requirement for large-scale computations has turned researchers' attention to near neighbor methods such as the finite element method, which has low O(N) storage requirements and is readily adaptable in modeling complex geometrical features and material inhomogeneities. In this paper, we review three hybrid finite element methods for simulating composite scatterers, conformal microstrip antennas, and finite periodic arrays. Specifically, we discuss the finite element method and its application to electromagnetic problems when combined with the boundary integral, absorbing boundary conditions, and artificial absorbers for terminating the mesh. Particular attention is given to large-scale simulations, methods, and solvers for achieving low memory requirements and code performance on parallel computing architectures.

Multiscale Modeling of Damage Processes in fcc Aluminum: From Atoms to Grains

NASA Technical Reports Server (NTRS)

Glaessgen, E. H.; Saether, E.; Yamakov, V.

2008-01-01

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, current analysis is limited to small domains and increasing the size of the MD domain quickly presents intractable computational demands. A preferred approach to surmount this computational limitation has been to combine continuum mechanics-based modeling procedures, such as the finite element method (FEM), with MD analyses thereby reducing the region of atomic scale refinement. Such multiscale modeling strategies can be divided into two broad classifications: concurrent multiscale methods that directly incorporate an atomistic domain within a continuum domain and sequential multiscale methods that extract an averaged response from the atomistic simulation for later use as a constitutive model in a continuum analysis.

Higher-order adaptive finite-element methods for Kohn–Sham density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Motamarri, P.; Nowak, M.R.; Leiter, K.

2013-11-15

We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn–Sham density-functional theory (DFT). To this end, we develop an a priori mesh-adaption technique to construct a close to optimal finite-element discretization of the problem. We further propose an efficient solution strategy for solving the discrete eigenvalue problem by using spectral finite-elements in conjunction with Gauss–Lobatto quadrature, and a Chebyshev acceleration technique for computing the occupied eigenspace. The proposed approach has been observed to provide a staggering 100–200-fold computational advantage over the solution of a generalized eigenvalue problem. Using the proposedmore » solution procedure, we investigate the computational efficiency afforded by higher-order finite-element discretizations of the Kohn–Sham DFT problem. Our studies suggest that staggering computational savings—of the order of 1000-fold—relative to linear finite-elements can be realized, for both all-electron and local pseudopotential calculations, by using higher-order finite-element discretizations. On all the benchmark systems studied, we observe diminishing returns in computational savings beyond the sixth-order for accuracies commensurate with chemical accuracy, suggesting that the hexic spectral-element may be an optimal choice for the finite-element discretization of the Kohn–Sham DFT problem. A comparative study of the computational efficiency of the proposed higher-order finite-element discretizations suggests that the performance of finite-element basis is competing with the plane-wave discretization for non-periodic local pseudopotential calculations, and compares to the Gaussian basis for all-electron calculations to within an order of magnitude. Further, we demonstrate the capability of the proposed approach to compute the electronic structure of a metallic system containing 1688 atoms using modest computational resources, and good scalability of the present implementation up to 192 processors.« less

Solution of the neutronics code dynamic benchmark by finite element method

NASA Astrophysics Data System (ADS)

Avvakumov, A. V.; Vabishchevich, P. N.; Vasilev, A. O.; Strizhov, V. F.

2016-10-01

The objective is to analyze the dynamic benchmark developed by Atomic Energy Research for the verification of best-estimate neutronics codes. The benchmark scenario includes asymmetrical ejection of a control rod in a water-type hexagonal reactor at hot zero power. A simple Doppler feedback mechanism assuming adiabatic fuel temperature heating is proposed. The finite element method on triangular calculation grids is used to solve the three-dimensional neutron kinetics problem. The software has been developed using the engineering and scientific calculation library FEniCS. The matrix spectral problem is solved using the scalable and flexible toolkit SLEPc. The solution accuracy of the dynamic benchmark is analyzed by condensing calculation grid and varying degree of finite elements.

Postcoalescence evolution of growth stress in polycrystalline films.

PubMed

González-González, A; Polop, C; Vasco, E

2013-02-01

The growth stress generated once grains coalesce in Volmer-Weber-type thin films is investigated by time-multiscale simulations comprising complementary modules of (i) finite-element modeling to address the interactions between grains happening at atomic vibration time scales (~0.1 ps), (ii) dynamic scaling to account for the surface stress relaxation via morphology changes at surface diffusion time scales (~μs-ms), and (iii) the mesoscopic rate equation approach to simulate the bulk stress relaxation at deposition time scales (~sec-h). On the basis of addressing the main experimental evidence reported so far on the topic dealt with, the simulation results provide key findings concerning the interplay between anisotropic grain interactions at complementary space scales, deposition conditions (such as flux and mobility), and mechanisms of stress accommodation-relaxation, which underlies the origin, nature and spatial distribution, and the flux dependence of the postcoalescence growth stress.

The finite element method for micro-scale modeling of ultrasound propagation in cancellous bone.

PubMed

Vafaeian, B; El-Rich, M; El-Bialy, T; Adeeb, S

2014-08-01

Quantitative ultrasound for bone assessment is based on the correlations between ultrasonic parameters and the properties (mechanical and physical) of cancellous bone. To elucidate the correlations, understanding the physics of ultrasound in cancellous bone is demanded. Micro-scale modeling of ultrasound propagation in cancellous bone using the finite-difference time-domain (FDTD) method has been so far utilized as one of the approaches in this regard. However, the FDTD method accompanies two disadvantages: staircase sampling of cancellous bone by finite difference grids leads to generation of wave artifacts at the solid-fluid interface inside the bone; additionally, this method cannot explicitly satisfy the needed perfect-slip conditions at the interface. To overcome these disadvantages, the finite element method (FEM) is proposed in this study. Three-dimensional finite element models of six water-saturated cancellous bone samples with different bone volume were created. The values of speed of sound (SOS) and broadband ultrasound attenuation (BUA) were calculated through the finite element simulations of ultrasound propagation in each sample. Comparing the results with other experimental and simulation studies demonstrated the capabilities of the FEM for micro-scale modeling of ultrasound in water-saturated cancellous bone. Copyright © 2014 Elsevier B.V. All rights reserved.

Coupled thermomechanical behavior of graphene using the spring-based finite element approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Georgantzinos, S. K., E-mail: sgeor@mech.upatras.gr; Anifantis, N. K., E-mail: nanif@mech.upatras.gr; Giannopoulos, G. I., E-mail: ggiannopoulos@teiwest.gr

The prediction of the thermomechanical behavior of graphene using a new coupled thermomechanical spring-based finite element approach is the aim of this work. Graphene sheets are modeled in nanoscale according to their atomistic structure. Based on molecular theory, the potential energy is defined as a function of temperature, describing the interatomic interactions in different temperature environments. The force field is approached by suitable straight spring finite elements. Springs simulate the interatomic interactions and interconnect nodes located at the atomic positions. Their stiffness matrix is expressed as a function of temperature. By using appropriate boundary conditions, various different graphene configurations aremore » analyzed and their thermo-mechanical response is approached using conventional finite element procedures. A complete parametric study with respect to the geometric characteristics of graphene is performed, and the temperature dependency of the elastic material properties is finally predicted. Comparisons with available published works found in the literature demonstrate the accuracy of the proposed method.« less

Transient analysis of 1D inhomogeneous media by dynamic inhomogeneous finite element method

NASA Astrophysics Data System (ADS)

Yang, Zailin; Wang, Yao; Hei, Baoping

2013-12-01

The dynamic inhomogeneous finite element method is studied for use in the transient analysis of onedimensional inhomogeneous media. The general formula of the inhomogeneous consistent mass matrix is established based on the shape function. In order to research the advantages of this method, it is compared with the general finite element method. A linear bar element is chosen for the discretization tests of material parameters with two fictitious distributions. And, a numerical example is solved to observe the differences in the results between these two methods. Some characteristics of the dynamic inhomogeneous finite element method that demonstrate its advantages are obtained through comparison with the general finite element method. It is found that the method can be used to solve elastic wave motion problems with a large element scale and a large number of iteration steps.

The generator coordinate Dirac-Fock method for open-shell atomic systems

NASA Astrophysics Data System (ADS)

Malli, Gulzari L.; Ishikawa, Yasuyuki

1998-11-01

Recently we developed generator coordinate Dirac-Fock and Dirac-Fock-Breit methods for closed-shell systems assuming finite nucleus and have reported Dirac-Fock and Dirac-Fock-Breit energies for the atoms He through Nobelium (Z=102) [see Refs. Reference 10Reference 11Reference 12Reference 13]. In this paper, we generalize our earlier work on closed-shell systems and develop a generator coordinate Dirac-Fock method for open-shell systems. We present results for a number of representative open-shell heavy atoms (with nuclear charge Z>80) including the actinide and superheavy transactinide (with Z>103) atomic systems: Fr (Z=87), Ac (Z=89), and Lr (Z=103) to E113 (eka-thallium, Z=113). The high accuracy obtained in our open-shell Dirac-Fock calculations is similar to that of our closed-shell calculations, and we attribute it to the fact that the representation of the relativistic dynamics of an electron in a spherical ball finite nucleus near the origin in terms of our universal Gaussian basis set is as accurate as that provided by the numerical finite difference method. The DF SCF energies calculated by Desclaux [At. Data. Nucl. Data Tables 12, 311 (1973)] (apart from a typographic error for Fr pointed out here) are higher than those reported here for atoms of some of the superheavy transactinide elements by as much as 5 hartrees (136 eV). We believe that this is due to the use by Desclaux of much larger atomic masses than the currently accepted values for these elements.

76 FR 70896 - Polyethylene Glycol; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-16

... a finite tolerance is not necessary to ensure that there is a reasonable certainty that no harm will... integral part of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed...

76 FR 69662 - Methacrylic Polymer; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-09

... result of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is... part of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed...

An atomic finite element model for biodegradable polymers. Part 2. A model for change in Young's modulus due to polymer chain scission.

PubMed

Gleadall, Andrew; Pan, Jingzhe; Kruft, Marc-Anton

2015-11-01

Atomic simulations were undertaken to analyse the effect of polymer chain scission on amorphous poly(lactide) during degradation. Many experimental studies have analysed mechanical properties degradation but relatively few computation studies have been conducted. Such studies are valuable for supporting the design of bioresorbable medical devices. Hence in this paper, an Effective Cavity Theory for the degradation of Young's modulus was developed. Atomic simulations indicated that a volume of reduced-stiffness polymer may exist around chain scissions. In the Effective Cavity Theory, each chain scission is considered to instantiate an effective cavity. Finite Element Analysis simulations were conducted to model the effect of the cavities on Young's modulus. Since polymer crystallinity affects mechanical properties, the effect of increases in crystallinity during degradation on Young's modulus is also considered. To demonstrate the ability of the Effective Cavity Theory, it was fitted to several sets of experimental data for Young's modulus in the literature. Copyright © 2015 Elsevier Ltd. All rights reserved.

Relating Ab Initio Mechanical Behavior of Intergranular Glassy Films in Γ-Si3N4 to Continuum Scales

NASA Astrophysics Data System (ADS)

Ouyang, L.; Chen, J.; Ching, W.; Misra, A.

2006-05-01

Nanometer thin intergranular glassy films (IGFs) form in polycrystalline ceramics during sintering at high temperatures. The structure and properties of these IGFs are significantly changed by doping with rare earth elements. We have performed highly accurate large-scale ab initio calculations of the mechanical properties of both undoped and Yittria doped (Y-IGF) model by theoretical uniaxial tensile experiments. Uniaxial strain was applied by incrementally stretching the super cell in one direction, while the other two dimensions were kept constant. At each strain, all atoms in the model were fully relaxed using Vienna Ab initio Simulation Package VASP. The relaxed model at a given strain serves as the starting position for the next increment of strain. This process is carried on until the total energy (TE) and stress data show that the "sample" is fully fractured. Interesting differences are seen between the stress-strain response of undoped and Y-doped models. For the undoped model, the stress-strain behavior indicates that the initial atomic structure of the IGF is such that there is negligible coupling between the x- and the y-z directions. However, once the behavior becomes non- linear the lateral stresses increase, indicating that the atomic structure evolves with loading [1]. To relate the ab initio calculations to the continuum scales we analyze the atomic-scale deformation field under this uniaxial loading [1]. The applied strain in the x-direction is mostly accommodated by the IGF part of the model and the crystalline part experiences almost negligible strain. As the overall strain on the sample is incrementally increased, the local strain field evolves such that locations proximal to the softer spots attract higher strains. As the load progresses, the strain concentration spots coalesce and eventually form persistent strain localization zone across the IGF. The deformation pattern obtained through ab initio calculations indicates that it is possible to construct discrete grain-scale models that may be used to bridge these calculations to the continuum scale for finite element analysis. Reference: 1. J. Chen, L. Ouyang, P. Rulis, A. Misra, W. Y. Ching, Phys. Rev. Lett. 95, 256103 (2005)

The Coupling of Finite Element and Integral Equation Representations for Efficient Three-Dimensional Modeling of Electromagnetic Scattering and Radiation

NASA Technical Reports Server (NTRS)

Cwik, Tom; Zuffada, Cinzia; Jamnejad, Vahraz

1996-01-01

Finite element modeling has proven useful for accurtely simulating scattered or radiated fields from complex three-dimensional objects whose geometry varies on the scale of a fraction of a wavelength.

Load Testing, Finite Element Analysis, and Design of Steel Traffic-Signal Poles

DOT National Transportation Integrated Search

1993-07-01

At request of the Structures Design and Construction Division, the Engineering Research and Development Bureau performed full-scale testing and finite element analysis (FEA) of span-wire traffic-signal poles to evaluate their structural adequacy. Res...

Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms

NASA Technical Reports Server (NTRS)

Kurdila, Andrew J.; Sharpley, Robert C.

1999-01-01

This paper presents a final report on Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms. The focus of this research is to derive and implement: 1) Wavelet based methodologies for the compression, transmission, decoding, and visualization of three dimensional finite element geometry and simulation data in a network environment; 2) methodologies for interactive algorithm monitoring and tracking in computational mechanics; and 3) Methodologies for interactive algorithm steering for the acceleration of large scale finite element simulations. Also included in this report are appendices describing the derivation of wavelet based Particle Image Velocity algorithms and reduced order input-output models for nonlinear systems by utilizing wavelet approximations.

Mobile atom traps using magnetic nanowires

NASA Astrophysics Data System (ADS)

Allwood, D. A.; Schrefl, T.; Hrkac, G.; Hughes, I. G.; Adams, C. S.

2006-07-01

By solving the Landau-Lifshitz-Gilbert equation using a finite element method we show that an atom trap can be produced above a ferromagnetic nanowire domain wall. Atoms experience trap frequencies of up to a few megahertz, and can be transported by applying a weak magnetic field along the wire. Lithographically defined nanowire patterns could allow quantum information processing by bringing domain walls in close proximity at certain places to allow trapped atom interactions and far apart at others to allow individual addressing.

Predicting Print-thru for the Sub-scale Beryllium Mirror Demonstrator (SBMD)

NASA Technical Reports Server (NTRS)

Craig, Larry; J. Kevin Russell (Technical Monitor)

2002-01-01

This document presents a finite element method for predicting print-thru or quilting for a lightweight mirror in a low temperature environment. The mirror is represented with quadrilateral and triangular plate finite elements. The SBMD (Sub-scale Beryllium Mirror Demonstrator) is circular with a diameter of 50 cm and one flat side. The mirror structure is a thin-wall triangular cell core with a single facesheet. There is a 4 mm radius fillet between the facesheet and cell walls. It is made entirely of Beryllium. It is assumed that polishing the mirror surface creates a thin surface layer with different material properties. Finite element results are compared with measured values at cryogenic temperatures.

Correlation of finite-element structural dynamic analysis with measured free vibration characteristics for a full-scale helicopter fuselage

NASA Technical Reports Server (NTRS)

Kenigsberg, I. J.; Dean, M. W.; Malatino, R.

1974-01-01

The correlation achieved with each program provides the material for a discussion of modeling techniques developed for general application to finite-element dynamic analyses of helicopter airframes. Included are the selection of static and dynamic degrees of freedom, cockpit structural modeling, and the extent of flexible-frame modeling in the transmission support region and in the vicinity of large cut-outs. The sensitivity of predicted results to these modeling assumptions are discussed. Both the Sikorsky Finite-Element Airframe Vibration analysis Program (FRAN/Vibration Analysis) and the NASA Structural Analysis Program (NASTRAN) have been correlated with data taken in full-scale vibration tests of a modified CH-53A helicopter.

Experimental determination and modelling of the swelling speed of a hydrogel polymer

NASA Astrophysics Data System (ADS)

Lenk, Sándor; Majoros, Tamás; Beleznai, Szabolcs; Ujhelyi, Ferenc; Péczeli, Imre; Karda, Zsolt; Barócsi, Attila

2018-03-01

When a hydrophilic intraocular lens material is immersed, its volume and mass start increase due to the diffusion of water (or isotonic saline solution) reaching a quasi-equilibrium in a time scale of several hours. Here, we present a combination of atomic force and confocal microscopy to measure the axial swelling speed of such polymers in distilled water. The measurements are used for the experimental verification of a simplistic finite element model developed for engineering applications in COMSOL environment. The model is calibrated with the temporal change of the sample mass. The swelling velocity is found to be inversely proportional to the square root of time.

Shaping Ge islands on Si(001) surfaces with misorientation angle.

PubMed

Persichetti, L; Sgarlata, A; Fanfoni, M; Balzarotti, A

2010-01-22

A complete description of Ge growth on vicinal Si(001) surfaces in the angular miscut range 0 degrees -8 degrees is presented. The key role of substrate vicinality is clarified from the very early stages of Ge deposition up to the nucleation of 3D islands. By a systematic scanning tunneling microscopy investigation we are able to explain the competition between step-flow growth and 2D nucleation and the progressive elongation of the 3D islands along the miscut direction [110]. Using finite element calculations, we find a strict correlation between the morphological evolution and the energetic factors which govern the {105} faceting at atomic scale.

Predicting Rediated Noise With Power Flow Finite Element Analysis

DTIC Science & Technology

2007-02-01

Defence R&D Canada – Atlantic DEFENCE DÉFENSE & Predicting Rediated Noise With Power Flow Finite Element Analysis D. Brennan T.S. Koko L. Jiang J...PREDICTING RADIATED NOISE WITH POWER FLOW FINITE ELEMENT ANALYSIS D.P. Brennan T.S. Koko L. Jiang J.C. Wallace Martec Limited Martec Limited...model- or full-scale data before it is available for general use. Brennan, D.P., Koko , T.S., Jiang, L., Wallace, J.C. 2007. Predicting Radiated

Kicking atoms with finite duration pulses

NASA Astrophysics Data System (ADS)

Fekete, Julia; Chai, Shijie; Daszuta, Boris; Andersen, Mikkel F.

2016-05-01

The atom optics delta-kicked particle is a paradigmatic system for experimental studies of quantum chaos and classical-quantum correspondence. It consists of a cloud of laser cooled atoms exposed to a periodically pulsed standing wave of far off-resonant laser light. A purely quantum phenomena in such systems are quantum resonances which transfers the atoms into a coherent superposition of largely separated momentum states. Using such large momentum transfer ``beamsplitters'' in atom interferometers may have applications in high precision metrology. The growth in momentum separation cannot be maintained indefinitely due to finite laser power. The largest momentum transfer is achieved by violating the usual delta-kick assumption. Therefore we explore the behavior of the atom optics kicked particle with finite pulse duration. We have developed a semi-classical model which shows good agreement with the full quantum description as well as our experiments. Furthermore we have found a simple scaling law that helps to identify optimal parameters for an atom interferometer. We verify this by measurements of the ``Talbot time'' (a measurement of h/m) which together with other well-known constants constitute a measurement of the fine structure constant.

75 FR 44917 - Castor Oil, Ethoxylated, Dioleate; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2010-07-30

... of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is not... of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed in...

77 FR 30407 - 1,2-Ethanediamine, N

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-23

... of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is not... environment. 2. The polymer does contain as an integral part of its composition the atomic elements carbon... impurities, any element other than those listed in 40 CFR 723.250(d)(2)(ii). 4. The polymer is neither...

75 FR 40751 - Castor Oil, Ethoxylated, Oleate; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2010-07-14

... a finite tolerance is not necessary to ensure that there is a reasonable certainty that no harm will... contain as an integral part of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other...

78 FR 20032 - Styrene-Ethylene-Propylene Block Copolymer; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-03

... of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is not... integral part of its composition, the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed...

76 FR 77709 - Butyl acrylate-methacrylic acid-styrene polymer; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-14

... result of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is... integral part of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed...

Micro-wrinkling and delamination-induced buckling of stretchable electronic structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oyewole, O. K.; Department of Materials Science and Engineering, Kwara State University, Malete, P.M.B 1530, Ilorin, Kwara State; Yu, D.

This paper presents the results of experimental and theoretical/computational micro-wrinkles and buckling on the surfaces of stretchable poly-dimethylsiloxane (PDMS) coated with nano-scale Gold (Au) layers. The wrinkles and buckles are formed by the unloading of pre-stretched PDMS/Au structure after the evaporation of nano-scale Au layers. They are then characterized using atomic force microscopy and scanning electron microscopy. The critical stresses required for wrinkling and buckling are analyzed using analytical models. The possible interfacial cracking that can occur along with film buckling is also studied using finite element simulations of the interfacial crack growth. The implications of the results are discussedmore » for potential applications of micro-wrinkles and micro-buckles in stretchable electronic structures and biomedical devices.« less

Novel Infrared Dynamics of Cold Atoms on Hot Graphene

NASA Astrophysics Data System (ADS)

Sengupta, Sanghita; Kotov, Valeri; Clougherty, Dennis

The low-energy dynamics of cold atoms interacting with macroscopic graphene membranes exhibits severe infrared divergences when treated perturbatively. These infrared problems are even more pronounced at finite temperature due to the (infinitely) many flexural phonons excited in graphene. We have devised a technique to take account (resummation) of such processes in the spirit of the well-known exact solution of the independent boson model. Remarkably, there is also similarity to the infrared problems and their treatment (via the Bloch-Nordsieck scheme) in finite temperature ``hot'' quantum electrodynamics and chromodynamics due to the long-range, unscreened nature of gauge interactions. The method takes into account correctly the strong damping provided by the many emitted phonons at finite temperature. In our case, the inverse membrane size plays the role of an effective low-energy scale, and, unlike the above mentioned field theories, there remains an unusual, highly nontrivial dependence on that scale due to the 2D nature of the problem. We present detailed results for the sticking (atomic damping rate) rate of cold atomic hydrogen as a function of the membrane temperature and size. We find that the rate is very strongly dependent on both quantities.

An Automated Method for Landmark Identification and Finite-Element Modeling of the Lumbar Spine.

PubMed

Campbell, Julius Quinn; Petrella, Anthony J

2015-11-01

The purpose of this study was to develop a method for the automated creation of finite-element models of the lumbar spine. Custom scripts were written to extract bone landmarks of lumbar vertebrae and assemble L1-L5 finite-element models. End-plate borders, ligament attachment points, and facet surfaces were identified. Landmarks were identified to maintain mesh correspondence between meshes for later use in statistical shape modeling. 90 lumbar vertebrae were processed creating 18 subject-specific finite-element models. Finite-element model surfaces and ligament attachment points were reproduced within 1e-5 mm of the bone surface, including the critical contact surfaces of the facets. Element quality exceeded specifications in 97% of elements for the 18 models created. The current method is capable of producing subject-specific finite-element models of the lumbar spine with good accuracy, quality, and robustness. The automated methods developed represent advancement in the state of the art of subject-specific lumbar spine modeling to a scale not possible with prior manual and semiautomated methods.

Scaling in biomechanical experimentation: a finite similitude approach.

PubMed

Ochoa-Cabrero, Raul; Alonso-Rasgado, Teresa; Davey, Keith

2018-06-01

Biological experimentation has many obstacles: resource limitations, unavailability of materials, manufacturing complexities and ethical compliance issues; any approach that resolves all or some of these is of some interest. The aim of this study is applying the recently discovered concept of finite similitude as a novel approach for the design of scaled biomechanical experiments supported with analysis using a commercial finite-element package and validated by means of image correlation software. The study of isotropic scaling of synthetic bones leads to the selection of three-dimensional (3D) printed materials for the trial-space materials. These materials conforming to the theory are analysed in finite-element models of a cylinder and femur geometries undergoing compression, tension, torsion and bending tests to assess the efficacy of the approach using reverse scaling of the approach. The finite-element results show similar strain patterns in the surface for the cylinder with a maximum difference of less than 10% and for the femur with a maximum difference of less than 4% across all tests. Finally, the trial-space, physical-trial experimentation using 3D printed materials for compression and bending testing provides a good agreement in a Bland-Altman statistical analysis, providing good supporting evidence for the practicality of the approach. © 2018 The Author(s).

Finite element analysis of hollow out-of-plane HfO2 microneedles for transdermal drug delivery applications.

PubMed

Zhang, Yong-Hua; A Campbell, Stephen; Karthikeyan, Sreejith

2018-02-17

Transdermal drug delivery (TDD) based on microneedles is an excellent approach due to its advantages of both traditional transdermal patch and hypodermic syringes. In this paper, the fabrication method of hollow out-of-layer hafnium oxide (HfO 2 ) microneedles mainly based on deep reactive ion etching of silicon and atomic layer deposition of HfO 2  is described, and the finite element analysis of the microneedles based on ANSYS software is also presented. The fabrication process is simplified by using a single mask. The finite element analysis of a single microneedle shows that the flexibility of the microneedles can be easily adjusted for various applications. The finite element analysis of a 3 × 3 HfO 2 microneedle array applied on the skin well explains the "bed of nail" effect, i.e., the skin is not liable to be pierced when the density of microneedles in array increases. The presented research work here provides useful information for design optimization of HfO 2 microneedles used for TDD applications.

Energy and technology review: Engineering modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cabayan, H.S.; Goudreau, G.L.; Ziolkowski, R.W.

1986-10-01

This report presents information concerning: Modeling Canonical Problems in Electromagnetic Coupling Through Apertures; Finite-Element Codes for Computing Electrostatic Fields; Finite-Element Modeling of Electromagnetic Phenomena; Modeling Microwave-Pulse Compression in a Resonant Cavity; Lagrangian Finite-Element Analysis of Penetration Mechanics; Crashworthiness Engineering; Computer Modeling of Metal-Forming Processes; Thermal-Mechanical Modeling of Tungsten Arc Welding; Modeling Air Breakdown Induced by Electromagnetic Fields; Iterative Techniques for Solving Boltzmann's Equations for p-Type Semiconductors; Semiconductor Modeling; and Improved Numerical-Solution Techniques in Large-Scale Stress Analysis.

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

NASA Astrophysics Data System (ADS)

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-05-01

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructs high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss-Lobatto-Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Kai; Fu, Shubin; Chung, Eric T.

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructsmore » high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss–Lobatto–Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.« less

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

DOE PAGES

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-02-04

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructsmore » high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss–Lobatto–Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.« less

Finite element modeling and analysis of tires

NASA Technical Reports Server (NTRS)

Noor, A. K.; Andersen, C. M.

1983-01-01

Predicting the response of tires under various loading conditions using finite element technology is addressed. Some of the recent advances in finite element technology which have high potential for application to tire modeling problems are reviewed. The analysis and modeling needs for tires are identified. Reduction methods for large-scale nonlinear analysis, with particular emphasis on treatment of combined loads, displacement-dependent and nonconservative loadings; development of simple and efficient mixed finite element models for shell analysis, identification of equivalent mixed and purely displacement models, and determination of the advantages of using mixed models; and effective computational models for large-rotation nonlinear problems, based on a total Lagrangian description of the deformation are included.

Nondestructive imaging of atomically thin nanostructures buried in silicon

PubMed Central

Gramse, Georg; Kölker, Alexander; Lim, Tingbin; Stock, Taylor J. Z.; Solanki, Hari; Schofield, Steven R.; Brinciotti, Enrico; Aeppli, Gabriel; Kienberger, Ferry; Curson, Neil J.

2017-01-01

It is now possible to create atomically thin regions of dopant atoms in silicon patterned with lateral dimensions ranging from the atomic scale (angstroms) to micrometers. These structures are building blocks of quantum devices for physics research and they are likely also to serve as key components of devices for next-generation classical and quantum information processing. Until now, the characteristics of buried dopant nanostructures could only be inferred from destructive techniques and/or the performance of the final electronic device; this severely limits engineering and manufacture of real-world devices based on atomic-scale lithography. Here, we use scanning microwave microscopy (SMM) to image and electronically characterize three-dimensional phosphorus nanostructures fabricated via scanning tunneling microscope–based lithography. The SMM measurements, which are completely nondestructive and sensitive to as few as 1900 to 4200 densely packed P atoms 4 to 15 nm below a silicon surface, yield electrical and geometric properties in agreement with those obtained from electrical transport and secondary ion mass spectroscopy for unpatterned phosphorus δ layers containing ~1013 P atoms. The imaging resolution was 37 ± 1 nm in lateral and 4 ± 1 nm in vertical directions, both values depending on SMM tip size and depth of dopant layers. In addition, finite element modeling indicates that resolution can be substantially improved using further optimized tips and microwave gradient detection. Our results on three-dimensional dopant structures reveal reduced carrier mobility for shallow dopant layers and suggest that SMM could aid the development of fabrication processes for surface code quantum computers. PMID:28782006

Fast Atomic-Scale Elemental Mapping of Crystalline Materials by STEM Energy-Dispersive X-Ray Spectroscopy Achieved with Thin Specimens [Fast Atomic-Scale Chemical Imaging of Crystalline Materials by STEM Energy-Dispersive X-ray Spectroscopy Achieved with Thin Specimens].

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Ping; Yuan, Renliang; Zuo, Jian Min

Abstract Elemental mapping at the atomic-scale by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) provides a powerful real-space approach to chemical characterization of crystal structures. However, applications of this powerful technique have been limited by inefficient X-ray emission and collection, which require long acquisition times. Recently, using a lattice-vector translation method, we have shown that rapid atomic-scale elemental mapping using STEM-EDS can be achieved. This method provides atomic-scale elemental maps averaged over crystal areas of ~few 10 nm 2with the acquisition time of ~2 s or less. Here we report the details of this method, and, inmore » particular, investigate the experimental conditions necessary for achieving it. It shows, that in addition to usual conditions required for atomic-scale imaging, a thin specimen is essential for the technique to be successful. Phenomenological modeling shows that the localization of X-ray signals to atomic columns is a key reason. The effect of specimen thickness on the signal delocalization is studied by multislice image simulations. The results show that the X-ray localization can be achieved by choosing a thin specimen, and the thickness of less than about 22 nm is preferred for SrTiO 3in [001] projection for 200 keV electrons.« less

Fast Atomic-Scale Elemental Mapping of Crystalline Materials by STEM Energy-Dispersive X-Ray Spectroscopy Achieved with Thin Specimens [Fast Atomic-Scale Chemical Imaging of Crystalline Materials by STEM Energy-Dispersive X-ray Spectroscopy Achieved with Thin Specimens].

DOE PAGES

Lu, Ping; Yuan, Renliang; Zuo, Jian Min

2017-02-23

Abstract Elemental mapping at the atomic-scale by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) provides a powerful real-space approach to chemical characterization of crystal structures. However, applications of this powerful technique have been limited by inefficient X-ray emission and collection, which require long acquisition times. Recently, using a lattice-vector translation method, we have shown that rapid atomic-scale elemental mapping using STEM-EDS can be achieved. This method provides atomic-scale elemental maps averaged over crystal areas of ~few 10 nm 2with the acquisition time of ~2 s or less. Here we report the details of this method, and, inmore » particular, investigate the experimental conditions necessary for achieving it. It shows, that in addition to usual conditions required for atomic-scale imaging, a thin specimen is essential for the technique to be successful. Phenomenological modeling shows that the localization of X-ray signals to atomic columns is a key reason. The effect of specimen thickness on the signal delocalization is studied by multislice image simulations. The results show that the X-ray localization can be achieved by choosing a thin specimen, and the thickness of less than about 22 nm is preferred for SrTiO 3in [001] projection for 200 keV electrons.« less

Towards mechanism-based simulation of impact damage using exascale computing

NASA Astrophysics Data System (ADS)

Shterenlikht, Anton; Margetts, Lee; McDonald, Samuel; Bourne, Neil K.

2017-01-01

Over the past 60 years, the finite element method has been very successful in modelling deformation in engineering structures. However the method requires the definition of constitutive models that represent the response of the material to applied loads. There are two issues. Firstly, the models are often difficult to define. Secondly, there is often no physical connection between the models and the mechanisms that accommodate deformation. In this paper, we present a potentially disruptive two-level strategy which couples the finite element method at the macroscale with cellular automata at the mesoscale. The cellular automata are used to simulate mechanisms, such as crack propagation. The stress-strain relationship emerges as a continuum mechanics scale interpretation of changes at the micro- and meso-scales. Iterative two-way updating between the cellular automata and finite elements drives the simulation forward as the material undergoes progressive damage at high strain rates. The strategy is particularly attractive on large-scale computing platforms as both methods scale well on tens of thousands of CPUs.

LS-DYNA Analysis of a Full-Scale Helicopter Crash Test

NASA Technical Reports Server (NTRS)

Annett, Martin S.

2010-01-01

A full-scale crash test of an MD-500 helicopter was conducted in December 2009 at NASA Langley's Landing and Impact Research facility (LandIR). The MD-500 helicopter was fitted with a composite honeycomb Deployable Energy Absorber (DEA) and tested under vertical and horizontal impact velocities of 26 ft/sec and 40 ft/sec, respectively. The objectives of the test were to evaluate the performance of the DEA concept under realistic crash conditions and to generate test data for validation of a system integrated LS-DYNA finite element model. In preparation for the full-scale crash test, a series of sub-scale and MD-500 mass simulator tests was conducted to evaluate the impact performances of various components, including a new crush tube and the DEA blocks. Parameters defined within the system integrated finite element model were determined from these tests. The objective of this paper is to summarize the finite element models developed and analyses performed, beginning with pre-test and continuing through post test validation.

78 FR 7275 - 2-Pyrrolidone, 1-Ethenyl-, Polymer With Ethenol; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-01

... result of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is... integral part of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed...

78 FR 4792 - Epoxy Polymer; Exemption From the Requirement of a Tolerance

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-23

... a finite tolerance is not necessary to ensure that there is a reasonable certainty that no harm will... contain as an integral part of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other...

77 FR 65834 - Residues of Fatty Acids, Tall-Oil, Ethoxylated Propoxylated; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-31

... in residential settings. If EPA is able to determine that a finite tolerance is not necessary to... integral part of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed...

78 FR 55644 - Styrene, Copolymers with Acrylic Acid and/or Methacrylic Acid; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-11

... in residential settings. If EPA is able to determine that a finite tolerance is not necessary to... composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed in 40 CFR 723.250(d...

78 FR 6213 - Styrene-2-Ethylhexyl Acrylate Copolymer; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-30

.... If EPA is able to determine that a finite tolerance is not necessary to ensure that there is a... composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed in 40 CFR 723.250(d...

75 FR 4288 - Oxirane, 2-Methyl-, Polymer with Oxirane, Dimethyl Ether; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-27

... a finite tolerance is not necessary to ensure that there is a reasonable certainty that no harm will... composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed in 40 CFR 723.250(d...

78 FR 70878 - Octadecanoic Acid, 12-Hydroxy-, Homopolymer, Ester With 2-Methyloxirane Polymer With Oxirane...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-27

... a finite tolerance is not necessary to ensure that there is a reasonable certainty that no harm will... of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed in...

77 FR 65831 - Polymers; exemptions from the requirement of a tolerance.

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-31

... result of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is... composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed in 40 CFR 723.250(d...

75 FR 71556 - Polyoxyalkylated Glycerol Fatty Acid Esters; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-24

... a finite tolerance is not necessary to ensure that there is a reasonable certainty that no harm will... polymer does contain as an integral part of its composition the atomic elements carbon, hydrogen, and... element other than those listed in 40 CFR 723.250(d)(2)(ii). 4. The polymer is neither designed nor can it...

75 FR 52269 - Acetic Acid Ethenyl Ester, Polymer With Oxirane; Tolerance Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-25

... result of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is... contain as an integral part of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other...

Newmark local time stepping on high-performance computing architectures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rietmann, Max, E-mail: max.rietmann@erdw.ethz.ch; Institute of Geophysics, ETH Zurich; Grote, Marcus, E-mail: marcus.grote@unibas.ch

In multi-scale complex media, finite element meshes often require areas of local refinement, creating small elements that can dramatically reduce the global time-step for wave-propagation problems due to the CFL condition. Local time stepping (LTS) algorithms allow an explicit time-stepping scheme to adapt the time-step to the element size, allowing near-optimal time-steps everywhere in the mesh. We develop an efficient multilevel LTS-Newmark scheme and implement it in a widely used continuous finite element seismic wave-propagation package. In particular, we extend the standard LTS formulation with adaptations to continuous finite element methods that can be implemented very efficiently with very strongmore » element-size contrasts (more than 100x). Capable of running on large CPU and GPU clusters, we present both synthetic validation examples and large scale, realistic application examples to demonstrate the performance and applicability of the method and implementation on thousands of CPU cores and hundreds of GPUs.« less

Implementation of the infinite-range exterior complex scaling to the time-dependent complete-active-space self-consistent-field method

NASA Astrophysics Data System (ADS)

Orimo, Yuki; Sato, Takeshi; Scrinzi, Armin; Ishikawa, Kenichi L.

2018-02-01

We present a numerical implementation of the infinite-range exterior complex scaling [Scrinzi, Phys. Rev. A 81, 053845 (2010), 10.1103/PhysRevA.81.053845] as an efficient absorbing boundary to the time-dependent complete-active-space self-consistent field method [Sato, Ishikawa, Březinová, Lackner, Nagele, and Burgdörfer, Phys. Rev. A 94, 023405 (2016), 10.1103/PhysRevA.94.023405] for multielectron atoms subject to an intense laser pulse. We introduce Gauss-Laguerre-Radau quadrature points to construct discrete variable representation basis functions in the last radial finite element extending to infinity. This implementation is applied to strong-field ionization and high-harmonic generation in He, Be, and Ne atoms. It efficiently prevents unphysical reflection of photoelectron wave packets at the simulation boundary, enabling accurate simulations with substantially reduced computational cost, even under significant (≈50 % ) double ionization. For the case of a simulation of high-harmonic generation from Ne, for example, 80% cost reduction is achieved, compared to a mask-function absorption boundary.

A new parallel-vector finite element analysis software on distributed-memory computers

NASA Technical Reports Server (NTRS)

Qin, Jiangning; Nguyen, Duc T.

1993-01-01

A new parallel-vector finite element analysis software package MPFEA (Massively Parallel-vector Finite Element Analysis) is developed for large-scale structural analysis on massively parallel computers with distributed-memory. MPFEA is designed for parallel generation and assembly of the global finite element stiffness matrices as well as parallel solution of the simultaneous linear equations, since these are often the major time-consuming parts of a finite element analysis. Block-skyline storage scheme along with vector-unrolling techniques are used to enhance the vector performance. Communications among processors are carried out concurrently with arithmetic operations to reduce the total execution time. Numerical results on the Intel iPSC/860 computers (such as the Intel Gamma with 128 processors and the Intel Touchstone Delta with 512 processors) are presented, including an aircraft structure and some very large truss structures, to demonstrate the efficiency and accuracy of MPFEA.

The application of super wavelet finite element on temperature-pressure coupled field simulation of LPG tank under jet fire

NASA Astrophysics Data System (ADS)

Zhao, Bin

2015-02-01

Temperature-pressure coupled field analysis of liquefied petroleum gas (LPG) tank under jet fire can offer theoretical guidance for preventing the fire accidents of LPG tank, the application of super wavelet finite element on it is studied in depth. First, review of related researches on heat transfer analysis of LPG tank under fire and super wavelet are carried out. Second, basic theory of super wavelet transform is studied. Third, the temperature-pressure coupled model of gas phase and liquid LPG under jet fire is established based on the equation of state, the VOF model and the RNG k-ɛ model. Then the super wavelet finite element formulation is constructed using the super wavelet scale function as interpolating function. Finally, the simulation is carried out, and results show that the super wavelet finite element method has higher computing precision than wavelet finite element method.

Finite element modeling of trolling-mode AFM.

PubMed

Sajjadi, Mohammadreza; Pishkenari, Hossein Nejat; Vossoughi, Gholamreza

2018-06-01

Trolling mode atomic force microscopy (TR-AFM) has overcome many imaging problems in liquid environments by considerably reducing the liquid-resonator interaction forces. The finite element model of the TR-AFM resonator considering the effects of fluid and nanoneedle flexibility is presented in this research, for the first time. The model is verified by ABAQUS software. The effect of installation angle of the microbeam relative to the horizon and the effect of fluid on the system behavior are investigated. Using the finite element model, frequency response curve of the system is obtained and validated around the frequency of the operating mode by the available experimental results, in air and liquid. The changes in the natural frequencies in the presence of liquid are studied. The effects of tip-sample interaction on the excitation of higher order modes of the system are also investigated in air and liquid environments. Copyright © 2018 Elsevier B.V. All rights reserved.

A Predictive Model for Chemically-Induced Fracture

NASA Astrophysics Data System (ADS)

Carter, Emily

2004-03-01

Mechanical properties of bulk solids are affected not only by macroscopic external loads, but also by chemical reactions, typically at surfaces and interfaces. For example, impurities in metals often coalesce at grain boundaries, leading to weakening of the sample under stress. Atmospheric corrosion is another example that, when combined with external loads, leads to stress-corrosion cracking. These are inherently multiscale phenomena, where the chemistry occurring at the atomic scale profoundly affects the mechanical properties at the micron to millimeter scale. Here we discuss a multiscale model of environmentally-assisted fracture. This involves coupling periodic density functional theory (DFT) at the atomic scale to a finite element continuum mechanics description of the coarser scale. A key component is the cohesive law, which we have shown takes on a universal form distinct from the generally used UBER model. Further, we propose a scheme to calculate physically realistic cohesive laws in the presence of mobile impurities. This cohesive law is then used to in a continuum model that couples stress-assisted diffusion with cohesive zone models of fracture to describe hydrogen embrittlement in metals. We show that this model, with a first principles-based cohesive law, provides insight into the observed intermittent cracking in steel, as well as good quantitative agreement with experiment.

Finite Element Multi-scale Modeling of Chemical Segregation in Steel Solidification Taking into Account the Transport of Equiaxed Grains

NASA Astrophysics Data System (ADS)

Nguyen, Thi-Thuy-My; Gandin, Charles-André; Combeau, Hervé; Založnik, Miha; Bellet, Michel

2018-02-01

The transport of solid crystals in the liquid pool during solidification of large ingots is known to have a significant effect on their final grain structure and macrosegregation. Numerical modeling of the associated physics is challenging since complex and strong interactions between heat and mass transfer at the microscopic and macroscopic scales must be taken into account. The paper presents a finite element multi-scale solidification model coupling nucleation, growth, and solute diffusion at the microscopic scale, represented by a single unique grain, while also including transport of the liquid and solid phases at the macroscopic scale of the ingots. The numerical resolution is based on a splitting method which sequentially describes the evolution and interaction of quantities into a transport and a growth stage. This splitting method reduces the non-linear complexity of the set of equations and is, for the first time, implemented using the finite element method. This is possible due to the introduction of an artificial diffusion in all conservation equations solved by the finite element method. Simulations with and without grain transport are compared to demonstrate the impact of solid phase transport on the solidification process as well as the formation of macrosegregation in a binary alloy (Sn-5 wt pct Pb). The model is also applied to the solidification of the binary alloy Fe-0.36 wt pct C in a domain representative of a 3.3-ton steel ingot.

A finite element-boundary integral method for scattering and radiation by two- and three-dimensional structures

NASA Technical Reports Server (NTRS)

Jin, Jian-Ming; Volakis, John L.; Collins, Jeffery D.

1991-01-01

A review of a hybrid finite element-boundary integral formulation for scattering and radiation by two- and three-composite structures is presented. In contrast to other hybrid techniques involving the finite element method, the proposed one is in principle exac, and can be implemented using a low O(N) storage. This is of particular importance for large scale applications and is a characteristic of the boundary chosen to terminate the finite-element mesh, usually as close to the structure as possible. A certain class of these boundaries lead to convolutional boundary integrals which can be evaluated via the fast Fourier transform (FFT) without a need to generate a matrix; thus, retaining the O(N) storage requirement.

Modeling and Design of a Full-Scale Rotor Blade with Embedded Piezocomposite Actuators

NASA Astrophysics Data System (ADS)

Kovalovs, A.; Barkanov, E.; Ruchevskis, S.; Wesolowski, M.

2017-05-01

An optimization methodology for the design of a full-scale rotor blade with an active twist in order to enhance its ability to reduce vibrations and noise is presented. It is based on a 3D finite-element model, the planning of experiments, and the response surface technique to obtain high piezoelectric actuation forces and displacements with a minimum actuator weight and energy applied. To investigate an active twist of the helicopter rotor blade, a structural static analysis using a 3D finite-element model was carried out. Optimum results were obtained at two possible applications of macrofiber composite actuators. The torsion angle found from the finite-element simulation of helicopter rotor blades was successfully validated by its experimental values, which confirmed the modeling accuracy.

Fast Atomic-Scale Elemental Mapping of Crystalline Materials by STEM Energy-Dispersive X-Ray Spectroscopy Achieved with Thin Specimens.

PubMed

Lu, Ping; Yuan, Renliang; Zuo, Jian Min

2017-02-01

Elemental mapping at the atomic-scale by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) provides a powerful real-space approach to chemical characterization of crystal structures. However, applications of this powerful technique have been limited by inefficient X-ray emission and collection, which require long acquisition times. Recently, using a lattice-vector translation method, we have shown that rapid atomic-scale elemental mapping using STEM-EDS can be achieved. This method provides atomic-scale elemental maps averaged over crystal areas of ~few 10 nm2 with the acquisition time of ~2 s or less. Here we report the details of this method, and, in particular, investigate the experimental conditions necessary for achieving it. It shows, that in addition to usual conditions required for atomic-scale imaging, a thin specimen is essential for the technique to be successful. Phenomenological modeling shows that the localization of X-ray signals to atomic columns is a key reason. The effect of specimen thickness on the signal delocalization is studied by multislice image simulations. The results show that the X-ray localization can be achieved by choosing a thin specimen, and the thickness of less than about 22 nm is preferred for SrTiO3 in [001] projection for 200 keV electrons.

The argon nuclear quadrupole moments

NASA Astrophysics Data System (ADS)

Sundholm, Dage; Pyykkö, Pekka

2018-07-01

New standard values -116(2) mb and 76(3) mb are suggested for the nuclear quadrupole moments (Q) of the 39Ar and 37Ar nuclei, respectively. The Q values were obtained by combining optical measurements of the quadrupole coupling constant (B or eqQ/h) of the 3s23p54s[3/2]2 (3Po) and 3s23p54p[5/2]3 (3De) states of argon with large scale numerical complete active space self-consistent field and restricted active space self-consistent field calculations of the electric field gradient at the nucleus (q) using the LUCAS code, which is a finite-element based multiconfiguration Hartree-Fock program for atomic structure calculations.

75 FR 50926 - 2-propenoic acid, 2-methyl-, C12-16-alkyl esters, telomers with 1-dodecanethiol, polyethylene...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-18

... result of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is... of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed in...

76 FR 7703 - 1,4-Benzenedicarboxylic Acid, Dimethyl Ester, Polymer With 1,4-Butanediol, Adipic Acid, and...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-02-11

... of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is not... part of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed...

76 FR 41135 - 2-Propenoic acid, 2-methyl-, phenylmethyl ester, polymer with 2-propenoic acid and sodium 2...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-13

... a finite tolerance is not necessary to ensure that there is a reasonable certainty that no harm will... integral part of its composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed...

76 FR 52875 - 2-Propenoic Acid, Polymer With Ethenylbenzene and (1-methylethenyl) Benzene, Sodium Salt...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-24

... a finite tolerance is not necessary to ensure that there is a reasonable certainty that no harm will... composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed in 40 CFR 723.250(d...

77 FR 20314 - 2-Propenoic Acid, 2-Methyl-, 2-Ethylhexyl Ester, Telomer With 1-Dodecanethiol, Ethenylbenzene and...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-04

... result of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is... composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed in 40 CFR 723.250(d...

Dynamic Behavior of Engineered Lattice Materials

PubMed Central

Hawreliak, J. A.; Lind, J.; Maddox, B.; Barham, M.; Messner, M.; Barton, N.; Jensen, B. J.; Kumar, M.

2016-01-01

Additive manufacturing (AM) is enabling the fabrication of materials with engineered lattice structures at the micron scale. These mesoscopic structures fall between the length scale associated with the organization of atoms and the scale at which macroscopic structures are constructed. Dynamic compression experiments were performed to study the emergence of behavior owing to the lattice periodicity in AM materials on length scales that approach a single unit cell. For the lattice structures, both bend and stretch dominated, elastic deflection of the structure was observed ahead of the compaction of the lattice, while no elastic deformation was observed to precede the compaction in a stochastic, random structure. The material showed lattice characteristics in the elastic response of the material, while the compaction was consistent with a model for compression of porous media. The experimental observations made on arrays of 4 × 4 × 6 lattice unit cells show excellent agreement with elastic wave velocity calculations for an infinite periodic lattice, as determined by Bloch wave analysis, and finite element simulations. PMID:27321697

Implementation of structural response sensitivity calculations in a large-scale finite-element analysis system

NASA Technical Reports Server (NTRS)

Giles, G. L.; Rogers, J. L., Jr.

1982-01-01

The methodology used to implement structural sensitivity calculations into a major, general-purpose finite-element analysis system (SPAR) is described. This implementation includes a generalized method for specifying element cross-sectional dimensions as design variables that can be used in analytically calculating derivatives of output quantities from static stress, vibration, and buckling analyses for both membrane and bending elements. Limited sample results for static displacements and stresses are presented to indicate the advantages of analytically calculating response derivatives compared to finite difference methods. Continuing developments to implement these procedures into an enhanced version of SPAR are also discussed.

Analysis of imperfections in the coherent optical excitation of single atoms to Rydberg states

NASA Astrophysics Data System (ADS)

de Léséleuc, Sylvain; Barredo, Daniel; Lienhard, Vincent; Browaeys, Antoine; Lahaye, Thierry

2018-05-01

We study experimentally various physical limitations and technical imperfections that lead to damping and finite contrast of optically driven Rabi oscillations between ground and Rydberg states of a single atom. Finite contrast is due to preparation and detection errors, and we show how to model and measure them accurately. Part of these errors originates from the finite lifetime of Rydberg states, and we observe its n3 scaling with the principal quantum number n . To explain the damping of Rabi oscillations, we use simple numerical models taking into account independently measured experimental imperfections and show that the observed damping actually results from the accumulation of several small effects, each at the level of a few percent. We discuss prospects for improving the coherence of ground-Rydberg Rabi oscillations in view of applications in quantum simulation and quantum information processing with arrays of single Rydberg atoms.

High performance computation of radiative transfer equation using the finite element method

NASA Astrophysics Data System (ADS)

Badri, M. A.; Jolivet, P.; Rousseau, B.; Favennec, Y.

2018-05-01

This article deals with an efficient strategy for numerically simulating radiative transfer phenomena using distributed computing. The finite element method alongside the discrete ordinate method is used for spatio-angular discretization of the monochromatic steady-state radiative transfer equation in an anisotropically scattering media. Two very different methods of parallelization, angular and spatial decomposition methods, are presented. To do so, the finite element method is used in a vectorial way. A detailed comparison of scalability, performance, and efficiency on thousands of processors is established for two- and three-dimensional heterogeneous test cases. Timings show that both algorithms scale well when using proper preconditioners. It is also observed that our angular decomposition scheme outperforms our domain decomposition method. Overall, we perform numerical simulations at scales that were previously unattainable by standard radiative transfer equation solvers.

Multiscale modeling and simulation for nano/micro materials

NASA Astrophysics Data System (ADS)

Wang, Xianqiao

Continuum description and atomic description used to be two distinct methods in the community of modeling and simulations. Science and technology have become so advanced that our understanding of many physical phenomena involves the concepts of both. So our goal now is to build a bridge to make atoms and continua communicate with each other. Micromorphic theory (MMT) envisions a material body as a continuous collection of deformable particles; each possesses finite size and inner structure. It is considered as the most successful top-down formulation of a two-level continuum model to bridge the gap between the micro level and macro level. Therefore MMT can be expected to unveil many new classes of physical phenomena that fall beyond classical field theories. In this work, the constitutive equations for generalized Micromorphic thermoviscoelastic solid and generalized Micromorphic fluid have been formulated. To enlarge the domain of applicability of MMT, from nano, micro to macro, we take a bottom-up approach to re-derive the generalized atomistic field theory (AFT) comprehensively and completely and establish the relationship between AFT and MMT. Finite element (FE) method is then implemented to pursue the numerical solutions of the governing equations derived in AFT. When the finest mesh is used, i.e., the size of FE mesh is equal to the lattice constant of the material, the computational model becomes identical to molecular dynamics simulation. When a coarse mesh is used, the resulting model is a coarse-grained model, the majority of the degrees of freedom are eliminated and the computational cost is largely reduced. When the coarse mesh and finest mesh exist concurrently, i.e., the finest mesh is used in the critical regions and the coarser mesh is used in the far field, it leads naturally to a concurrent atomistic/continuum model. Atomic scale, coarse-grained scale and concurrent atomistic/continuum simulations have demonstrated the potential capability of AFT to simulate most grand challenging problems in nano/micro physics, and shown that AFT has the advantages of both atomic model and MMT. Therefore, AFT has accomplished the mission to bridge the gap between continuum mechanics and atomic physics.

Finite element analyses of wood laminated composite poles

Treesearch

Cheng Piao; Todd F. Shupe; R.C. Tang; Chung Y. Hse

2005-01-01

Finite element analyses using ANSYS were conducted on orthotropic, polygonal, wood laminated composite poles subjected to a body force and a concentrated load at the free end. Deflections and stress distributions of small-scale and full-size composite poles were analyzed and compared to the results obtained in an experimental study. The predicted deflection for both...

78 FR 20029 - Castor Oil, Polymer With Adipic Acid, Linoleic Acid, Oleic Acid and Ricinoleic Acid; Tolerance...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-03

... of pesticide use in residential settings. If EPA is able to determine that a finite tolerance is not... environment. 2. The polymer does contain as an integral part of its composition the atomic elements carbon... impurities, any element other than those listed in 40 CFR 723.250(d)(2)(ii). 4. The polymer is neither...

75 FR 6583 - Poly(oxy-1,2-ethanediyl), α-hydro-ω-hydroxy-, polymer with 1, 1′-methylene-bis-[4...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-10

... in residential settings. If EPA is able to determine that a finite tolerance is not necessary to... composition the atomic elements carbon, hydrogen, and oxygen. 3. The polymer does not contain as an integral part of its composition, except as impurities, any element other than those listed in 40 CFR 723.250(d...

Surface faceting and elemental diffusion behaviour at atomic scale for alloy nanoparticles during in situ annealing

PubMed Central

Chi, Miaofang; Wang, Chao; Lei, Yinkai; Wang, Guofeng; Li, Dongguo; More, Karren L.; Lupini, Andrew; Allard, Lawrence F.; Markovic, Nenad M.; Stamenkovic, Vojislav R.

2015-01-01

The catalytic performance of nanoparticles is primarily determined by the precise nature of the surface and near-surface atomic configurations, which can be tailored by post-synthesis annealing effectively and straightforwardly. Understanding the complete dynamic response of surface structure and chemistry to thermal treatments at the atomic scale is imperative for the rational design of catalyst nanoparticles. Here, by tracking the same individual Pt3Co nanoparticles during in situ annealing in a scanning transmission electron microscope, we directly discern five distinct stages of surface elemental rearrangements in Pt3Co nanoparticles at the atomic scale: initial random (alloy) elemental distribution; surface platinum-skin-layer formation; nucleation of structurally ordered domains; ordered framework development and, finally, initiation of amorphization. Furthermore, a comprehensive interplay among phase evolution, surface faceting and elemental inter-diffusion is revealed, and supported by atomistic simulations. This work may pave the way towards designing catalysts through post-synthesis annealing for optimized catalytic performance. PMID:26576477

Surface faceting and elemental diffusion behaviour at atomic scale for alloy nanoparticles during in situ annealing

DOE PAGES

Chi, Miaofang; Wang, Chao; Lei, Yinkai; ...

2015-11-18

The catalytic performance of nanoparticles is primarily determined by the precise nature of the surface and near-surface atomic configurations, which can be tailored by post-synthesis annealing effectively and straightforwardly. Understanding the complete dynamic response of surface structure and chemistry to thermal treatments at the atomic scale is imperative for the rational design of catalyst nanoparticles. Here, by tracking the same individual Pt 3Co nanoparticles during in situ annealing in a scanning transmission electron microscope, we directly discern five distinct stages of surface elemental rearrangements in Pt 3Co nanoparticles at the atomic scale: initial random (alloy) elemental distribution; surface platinum-skin-layer formation;more » nucleation of structurally ordered domains; ordered framework development and, finally, initiation of amorphization. Furthermore, a comprehensive interplay among phase evolution, surface faceting and elemental inter-diffusion is revealed, and supported by atomistic simulations. In conlcusion, this work may pave the way towards designing catalysts through post-synthesis annealing for optimized catalytic performance.« less

Posttest analysis of a 1:6-scale reinforced concrete reactor containment building

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weatherby, J.R.

In an experiment conducted at Sandia National Laboratories, 1:6-scale model of a reinforced concrete light water reactor containment building was pressurized with nitrogen gas to more than three times its design pressure. The pressurization produced one large tear and several smaller tears in the steel liner plate that functioned as the primary pneumatic seal for the structure. The data collected from the overpressurization test have been used to evaluate and further refine methods of structural analysis that can be used to predict the performance of containment buildings under conditions produced by a severe accident. This report describes posttest finite elementmore » analyses of the 1:6-scale model tests and compares pretest predictions of the structural response to the experimental results. Strain and displacements calculated in axisymmetric finite element analyses of the 1:6-scale model are compared to strains and displacement measured in the experiment. Detailed analyses of the liner plate are also described in the report. The region of the liner surrounding the large tear was analyzed using two different two-dimensional finite elements model. The results from these analyzed indicate that the primary mechanisms that initiated the tear can be captured in a two- dimensional finite element model. Furthermore, the analyses show that studs used to anchor the liner to the concrete wall, played an important role in initiating the liner tear. Three-dimensional finite element analyses of liner plates loaded by studs are also presented. Results from the three-dimensional analyses are compared to results from two-dimensional analyses of the same problems. 12 refs., 56 figs., 1 tab.« less

Generalization of mixed multiscale finite element methods with applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, C S

Many science and engineering problems exhibit scale disparity and high contrast. The small scale features cannot be omitted in the physical models because they can affect the macroscopic behavior of the problems. However, resolving all the scales in these problems can be prohibitively expensive. As a consequence, some types of model reduction techniques are required to design efficient solution algorithms. For practical purpose, we are interested in mixed finite element problems as they produce solutions with certain conservative properties. Existing multiscale methods for such problems include the mixed multiscale finite element methods. We show that for complicated problems, the mixedmore » multiscale finite element methods may not be able to produce reliable approximations. This motivates the need of enrichment for coarse spaces. Two enrichment approaches are proposed, one is based on generalized multiscale finte element metthods (GMsFEM), while the other is based on spectral element-based algebraic multigrid (rAMGe). The former one, which is called mixed GMsFEM, is developed for both Darcy’s flow and linear elasticity. Application of the algorithm in two-phase flow simulations are demonstrated. For linear elasticity, the algorithm is subtly modified due to the symmetry requirement of the stress tensor. The latter enrichment approach is based on rAMGe. The algorithm differs from GMsFEM in that both of the velocity and pressure spaces are coarsened. Due the multigrid nature of the algorithm, recursive application is available, which results in an efficient multilevel construction of the coarse spaces. Stability, convergence analysis, and exhaustive numerical experiments are carried out to validate the proposed enrichment approaches. iii« less

Dehomogenized Elastic Properties of Heterogeneous Layered Materials in AFM Indentation Experiments.

PubMed

Lee, Jia-Jye; Rao, Satish; Kaushik, Gaurav; Azeloglu, Evren U; Costa, Kevin D

2018-06-05

Atomic force microscopy (AFM) is used to study mechanical properties of biological materials at submicron length scales. However, such samples are often structurally heterogeneous even at the local level, with different regions having distinct mechanical properties. Physical or chemical disruption can isolate individual structural elements but may alter the properties being measured. Therefore, to determine the micromechanical properties of intact heterogeneous multilayered samples indented by AFM, we propose the Hybrid Eshelby Decomposition (HED) analysis, which combines a modified homogenization theory and finite element modeling to extract layer-specific elastic moduli of composite structures from single indentations, utilizing knowledge of the component distribution to achieve solution uniqueness. Using finite element model-simulated indentation of layered samples with micron-scale thickness dimensions, biologically relevant elastic properties for incompressible soft tissues, and layer-specific heterogeneity of an order of magnitude or less, HED analysis recovered the prescribed modulus values typically within 10% error. Experimental validation using bilayer spin-coated polydimethylsiloxane samples also yielded self-consistent layer-specific modulus values whether arranged as stiff layer on soft substrate or soft layer on stiff substrate. We further examined a biophysical application by characterizing layer-specific microelastic properties of full-thickness mouse aortic wall tissue, demonstrating that the HED-extracted modulus of the tunica media was more than fivefold stiffer than the intima and not significantly different from direct indentation of exposed media tissue. Our results show that the elastic properties of surface and subsurface layers of microscale synthetic and biological samples can be simultaneously extracted from the composite material response to AFM indentation. HED analysis offers a robust approach to studying regional micromechanics of heterogeneous multilayered samples without destructively separating individual components before testing. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

On the nonlinear dynamics of trolling-mode AFM: Analytical solution using multiple time scales method

NASA Astrophysics Data System (ADS)

Sajjadi, Mohammadreza; Pishkenari, Hossein Nejat; Vossoughi, Gholamreza

2018-06-01

Trolling mode atomic force microscopy (TR-AFM) has resolved many imaging problems by a considerable reduction of the liquid-resonator interaction forces in liquid environments. The present study develops a nonlinear model of the meniscus force exerted to the nanoneedle of TR-AFM and presents an analytical solution to the distributed-parameter model of TR-AFM resonator utilizing multiple time scales (MTS) method. Based on the developed analytical solution, the frequency-response curves of the resonator operation in air and liquid (for different penetration length of the nanoneedle) are obtained. The closed-form analytical solution and the frequency-response curves are validated by the comparison with both the finite element solution of the main partial differential equations and the experimental observations. The effect of excitation angle of the resonator on horizontal oscillation of the probe tip and the effect of different parameters on the frequency-response of the system are investigated.

Prediction of shear critical behavior of high-strength reinforced concrete columns using finite element methods

NASA Astrophysics Data System (ADS)

Alrasyid, Harun; Safi, Fahrudin; Iranata, Data; Chen-Ou, Yu

2017-11-01

This research shows the prediction of shear behavior of High-Strength Reinforced Concrete Columns using Finite-Element Method. The experimental data of nine half scale high-strength reinforced concrete were selected. These columns using specified concrete compressive strength of 70 MPa, specified yield strength of longitudinal and transverse reinforcement of 685 and 785 MPa, respectively. The VecTor2 finite element software was used to simulate the shear critical behavior of these columns. The combination axial compression load and monotonic loading were applied at this prediction. It is demonstrated that VecTor2 finite element software provides accurate prediction of load-deflection up to peak at applied load, but provide similar behavior at post peak load. The shear strength prediction provide by VecTor 2 are slightly conservative compare to test result.

A multilevel correction adaptive finite element method for Kohn-Sham equation

NASA Astrophysics Data System (ADS)

Hu, Guanghui; Xie, Hehu; Xu, Fei

2018-02-01

In this paper, an adaptive finite element method is proposed for solving Kohn-Sham equation with the multilevel correction technique. In the method, the Kohn-Sham equation is solved on a fixed and appropriately coarse mesh with the finite element method in which the finite element space is kept improving by solving the derived boundary value problems on a series of adaptively and successively refined meshes. A main feature of the method is that solving large scale Kohn-Sham system is avoided effectively, and solving the derived boundary value problems can be handled efficiently by classical methods such as the multigrid method. Hence, the significant acceleration can be obtained on solving Kohn-Sham equation with the proposed multilevel correction technique. The performance of the method is examined by a variety of numerical experiments.

A MATLAB-based finite-element visualization of quantum reactive scattering. I. Collinear atom-diatom reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Warehime, Mick; Alexander, Millard H., E-mail: mha@umd.edu

We restate the application of the finite element method to collinear triatomic reactive scattering dynamics with a novel treatment of the scattering boundary conditions. The method provides directly the reactive scattering wave function and, subsequently, the probability current density field. Visualizing these quantities provides additional insight into the quantum dynamics of simple chemical reactions beyond simplistic one-dimensional models. Application is made here to a symmetric reaction (H+H{sub 2}), a heavy-light-light reaction (F+H{sub 2}), and a heavy-light-heavy reaction (F+HCl). To accompany this article, we have written a MATLAB code which is fast, simple enough to be accessible to a wide audience,more » as well as generally applicable to any problem that can be mapped onto a collinear atom-diatom reaction. The code and user's manual are available for download from http://www2.chem.umd.edu/groups/alexander/FEM.« less

Clarifying atomic weights: A 2016 four-figure table of standard and conventional atomic weights

USGS Publications Warehouse

Coplen, Tyler B.; Meyers, Fabienne; Holden, Norman E.

2017-01-01

To indicate that atomic weights of many elements are not constants of nature, in 2009 and 2011 the Commission on Isotopic Abundances and Atomic Weights (CIAAW) of the International Union of Pure and Applied Chemistry (IUPAC) replaced single-value standard atomic weight values with atomic weight intervals for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium); for example, the standard atomic weight of nitrogen became the interval [14.00643, 14.00728]. CIAAW recognized that some users of atomic weight data only need representative values for these 12 elements, such as for trade and commerce. For this purpose, CIAAW provided conventional atomic weight values, such as 14.007 for nitrogen, and these values can serve in education when a single representative value is needed, such as for molecular weight calculations. Because atomic weight values abridged to four figures are preferred by many educational users and are no longer provided by CIAAW as of 2015, we provide a table containing both standard atomic weight values and conventional atomic weight values abridged to four figures for the chemical elements. A retrospective review of changes in four-digit atomic weights since 1961 indicates that changes in these values are due to more accurate measurements over time or to the recognition of the impact of natural isotopic fractionation in normal terrestrial materials upon atomic weight values of many elements. Use of the unit “u” (unified atomic mass unit on the carbon mass scale) with atomic weight is incorrect because the quantity atomic weight is dimensionless, and the unit “amu” (atomic mass unit on the oxygen scale) is an obsolete term: Both should be avoided.

Application of Interface Technology in Nonlinear Analysis of a Stitched/RFI Composite Wing Stub Box

NASA Technical Reports Server (NTRS)

Wang, John T.; Ransom, Jonathan B.

1997-01-01

A recently developed interface technology was successfully employed in the geometrically nonlinear analysis of a full-scale stitched/RFI composite wing box loaded in bending. The technology allows mismatched finite element models to be joined in a variationally consistent manner and reduces the modeling complexity by eliminating transition meshing. In the analysis, local finite element models of nonlinearly deformed wide bays of the wing box are refined without the need for transition meshing to the surrounding coarse mesh. The COMET-AR finite element code, which has the interface technology capability, was used to perform the analyses. The COMET-AR analysis is compared to both a NASTRAN analysis and to experimental data. The interface technology solution is shown to be in good agreement with both. The viability of interface technology for coupled global/local analysis of large scale aircraft structures is demonstrated.

Parallel Domain Decomposition Formulation and Software for Large-Scale Sparse Symmetrical/Unsymmetrical Aeroacoustic Applications

NASA Technical Reports Server (NTRS)

Nguyen, D. T.; Watson, Willie R. (Technical Monitor)

2005-01-01

The overall objectives of this research work are to formulate and validate efficient parallel algorithms, and to efficiently design/implement computer software for solving large-scale acoustic problems, arised from the unified frameworks of the finite element procedures. The adopted parallel Finite Element (FE) Domain Decomposition (DD) procedures should fully take advantages of multiple processing capabilities offered by most modern high performance computing platforms for efficient parallel computation. To achieve this objective. the formulation needs to integrate efficient sparse (and dense) assembly techniques, hybrid (or mixed) direct and iterative equation solvers, proper pre-conditioned strategies, unrolling strategies, and effective processors' communicating schemes. Finally, the numerical performance of the developed parallel finite element procedures will be evaluated by solving series of structural, and acoustic (symmetrical and un-symmetrical) problems (in different computing platforms). Comparisons with existing "commercialized" and/or "public domain" software are also included, whenever possible.

Multiscale Modeling of Grain Boundaries in ZrB2: Structure, Energetics, and Thermal Resistance

NASA Technical Reports Server (NTRS)

Lawson, John W.; Daw, Murray S.; Squire, Thomas H.; Bauschlicher, Charles W., Jr.

2012-01-01

A combination of ab initio, atomistic and finite element methods (FEM) were used to investigate the structures, energetics and lattice thermal conductance of grain boundaries for the ultra high temperature ceramic ZrB2. Atomic models of idealized boundaries were relaxed using density functional theory. Information about bonding across the interfaces was determined from the electron localization function. The Kapitza conductance of larger scale versions of the boundary models were computed using non-equilibrium molecular dynamics. The interfacial thermal parameters together with single crystal thermal conductivities were used as parameters in microstructural computations. FEM meshes were constructed on top of microstructural images. From these computations, the effective thermal conductivity of the polycrystalline structure was determined.

NUMERICAL SIMULATION OF NANOINDENTATION AND PATCH CLAMP EXPERIMENTS ON MECHANOSENSITIVE CHANNELS OF LARGE CONDUCTANCE IN ESCHERICHIA COLI

PubMed Central

Tang, Yuye; Chen, Xi; Yoo, Jejoong; Yethiraj, Arun; Cui, Qiang

2010-01-01

A hierarchical simulation framework that integrates information from all-atom simulations into a finite element model at the continuum level is established to study the mechanical response of a mechanosensitive channel of large conductance (MscL) in bacteria Escherichia Coli (E.coli) embedded in a vesicle formed by the dipalmitoylphosphatidycholine (DPPC) lipid bilayer. Sufficient structural details of the protein are built into the continuum model, with key parameters and material properties derived from molecular mechanics simulations. The multi-scale framework is used to analyze the gating of MscL when the lipid vesicle is subjective to nanoindentation and patch clamp experiments, and the detailed structural transitions of the protein are obtained explicitly as a function of external load; it is currently impossible to derive such information based solely on all-atom simulations. The gating pathways of E.coli-MscL qualitatively agree with results from previous patch clamp experiments. The gating mechanisms under complex indentation-induced deformation are also predicted. This versatile hierarchical multi-scale framework may be further extended to study the mechanical behaviors of cells and biomolecules, as well as to guide and stimulate biomechanics experiments. PMID:21874098

An analytic model for accurate spring constant calibration of rectangular atomic force microscope cantilevers.

PubMed

Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang

2015-10-29

Spring constant calibration of the atomic force microscope (AFM) cantilever is of fundamental importance for quantifying the force between the AFM cantilever tip and the sample. The calibration within the framework of thin plate theory undoubtedly has a higher accuracy and broader scope than that within the well-established beam theory. However, thin plate theory-based accurate analytic determination of the constant has been perceived as an extremely difficult issue. In this paper, we implement the thin plate theory-based analytic modeling for the static behavior of rectangular AFM cantilevers, which reveals that the three-dimensional effect and Poisson effect play important roles in accurate determination of the spring constants. A quantitative scaling law is found that the normalized spring constant depends only on the Poisson's ratio, normalized dimension and normalized load coordinate. Both the literature and our refined finite element model validate the present results. The developed model is expected to serve as the benchmark for accurate calibration of rectangular AFM cantilevers.

Efimov effect for heteronuclear three-body systems at positive scattering length and finite temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Emmons, Samuel B.; Kang, Daekyoung; Acharya, Bijaya

2017-09-08

Here, we study the recombination process of three atoms scattering into an atom and diatomic molecule in heteronuclear mixtures of ultracold atomic gases with large and positive interspecies scattering length at finite temperature. We calculate the temperature dependence of the three-body recombination rates by extracting universal scaling functions that parametrize the energy dependence of the scattering matrix. We compare our results to experimental data for the 40K– 87Rb mixture and make a prediction for 6Li– 87Rb. We find that contributions from higher partial wave channels significantly impact the total rate and, in systems with particularly large mass imbalance, can evenmore » obliterate the recombination minima associated with the Efimov effect.« less

A majorized Newton-CG augmented Lagrangian-based finite element method for 3D restoration of geological models

NASA Astrophysics Data System (ADS)

Tang, Peipei; Wang, Chengjing; Dai, Xiaoxia

2016-04-01

In this paper, we propose a majorized Newton-CG augmented Lagrangian-based finite element method for 3D elastic frictionless contact problems. In this scheme, we discretize the restoration problem via the finite element method and reformulate it to a constrained optimization problem. Then we apply the majorized Newton-CG augmented Lagrangian method to solve the optimization problem, which is very suitable for the ill-conditioned case. Numerical results demonstrate that the proposed method is a very efficient algorithm for various large-scale 3D restorations of geological models, especially for the restoration of geological models with complicated faults.

A finite element-boundary integral method for scattering and radiation by two- and three-dimensional structures

NASA Technical Reports Server (NTRS)

Jin, Jian-Ming; Volakis, John L.; Collins, Jeffery D.

1991-01-01

A review of a hybrid finite element-boundary integral formulation for scattering and radiation by two- and three-dimensional composite structures is presented. In contrast to other hybrid techniques involving the finite element method, the proposed one is in principle exact and can be implemented using a low O(N) storage. This is of particular importance for large scale applications and is a characteristic of the boundary chosen to terminate the finite element mesh, usually as close to the structure as possible. A certain class of these boundaries lead to convolutional boundary integrals which can be evaluated via the fast Fourier transform (FFT) without a need to generate a matrix; thus, retaining the O(N) storage requirement. The paper begins with a general description of the method. A number of two- and three-dimensional applications are then given, including numerical computations which demonstrate the method's accuracy, efficiency, and capability.

Multi-scale damage modelling in a ceramic matrix composite using a finite-element microstructure meshfree methodology

PubMed Central

2016-01-01

The problem of multi-scale modelling of damage development in a SiC ceramic fibre-reinforced SiC matrix ceramic composite tube is addressed, with the objective of demonstrating the ability of the finite-element microstructure meshfree (FEMME) model to introduce important aspects of the microstructure into a larger scale model of the component. These are particularly the location, orientation and geometry of significant porosity and the load-carrying capability and quasi-brittle failure behaviour of the fibre tows. The FEMME model uses finite-element and cellular automata layers, connected by a meshfree layer, to efficiently couple the damage in the microstructure with the strain field at the component level. Comparison is made with experimental observations of damage development in an axially loaded composite tube, studied by X-ray computed tomography and digital volume correlation. Recommendations are made for further development of the model to achieve greater fidelity to the microstructure. This article is part of the themed issue ‘Multiscale modelling of the structural integrity of composite materials’. PMID:27242308

Finite element modeling of small-scale tapered wood-laminated composite poles with biomimicry features

Treesearch

Cheng Piao; Todd F. Shupe; R.C. Tang; Chung Y. Hse

2008-01-01

Tapered composite poles with biomimicry features as in bamboo are a new generation of wood laminated composite poles that may some day be considered as an alternative to solid wood poles that are widely used in the transmission and telecommunication fields. Five finite element models were developed with ANSYS to predict and assess the performance of five types of...

Dual-scale Galerkin methods for Darcy flow

NASA Astrophysics Data System (ADS)

Wang, Guoyin; Scovazzi, Guglielmo; Nouveau, Léo; Kees, Christopher E.; Rossi, Simone; Colomés, Oriol; Main, Alex

2018-02-01

The discontinuous Galerkin (DG) method has found widespread application in elliptic problems with rough coefficients, of which the Darcy flow equations are a prototypical example. One of the long-standing issues of DG approximations is the overall computational cost, and many different strategies have been proposed, such as the variational multiscale DG method, the hybridizable DG method, the multiscale DG method, the embedded DG method, and the Enriched Galerkin method. In this work, we propose a mixed dual-scale Galerkin method, in which the degrees-of-freedom of a less computationally expensive coarse-scale approximation are linked to the degrees-of-freedom of a base DG approximation. We show that the proposed approach has always similar or improved accuracy with respect to the base DG method, with a considerable reduction in computational cost. For the specific definition of the coarse-scale space, we consider Raviart-Thomas finite elements for the mass flux and piecewise-linear continuous finite elements for the pressure. We provide a complete analysis of stability and convergence of the proposed method, in addition to a study on its conservation and consistency properties. We also present a battery of numerical tests to verify the results of the analysis, and evaluate a number of possible variations, such as using piecewise-linear continuous finite elements for the coarse-scale mass fluxes.

Comparison of Test and Finite Element Analysis for Two Full-Scale Helicopter Crash Tests

NASA Technical Reports Server (NTRS)

Annett, Martin S.; Horta,Lucas G.

2011-01-01

Finite element analyses have been performed for two full-scale crash tests of an MD-500 helicopter. The first crash test was conducted to evaluate the performance of a composite deployable energy absorber under combined flight loads. In the second crash test, the energy absorber was removed to establish the baseline loads. The use of an energy absorbing device reduced the impact acceleration levels by a factor of three. Accelerations and kinematic data collected from the crash tests were compared to analytical results. Details of the full-scale crash tests and development of the system-integrated finite element model are briefly described along with direct comparisons of acceleration magnitudes and durations for the first full-scale crash test. Because load levels were significantly different between tests, models developed for the purposes of predicting the overall system response with external energy absorbers were not adequate under more severe conditions seen in the second crash test. Relative error comparisons were inadequate to guide model calibration. A newly developed model calibration approach that includes uncertainty estimation, parameter sensitivity, impact shape orthogonality, and numerical optimization was used for the second full-scale crash test. The calibrated parameter set reduced 2-norm prediction error by 51% but did not improve impact shape orthogonality.

Implementation of structural response sensitivity calculations in a large-scale finite-element analysis system

NASA Technical Reports Server (NTRS)

Giles, G. L.; Rogers, J. L., Jr.

1982-01-01

The implementation includes a generalized method for specifying element cross-sectional dimensions as design variables that can be used in analytically calculating derivatives of output quantities from static stress, vibration, and buckling analyses for both membrane and bending elements. Limited sample results for static displacements and stresses are presented to indicate the advantages of analytically calclating response derivatives compared to finite difference methods. Continuing developments to implement these procedures into an enhanced version of the system are also discussed.

A 2-D Interface Element for Coupled Analysis of Independently Modeled 3-D Finite Element Subdomains

NASA Technical Reports Server (NTRS)

Kandil, Osama A.

1998-01-01

Over the past few years, the development of the interface technology has provided an analysis framework for embedding detailed finite element models within finite element models which are less refined. This development has enabled the use of cascading substructure domains without the constraint of coincident nodes along substructure boundaries. The approach used for the interface element is based on an alternate variational principle often used in deriving hybrid finite elements. The resulting system of equations exhibits a high degree of sparsity but gives rise to a non-positive definite system which causes difficulties with many of the equation solvers in general-purpose finite element codes. Hence the global system of equations is generally solved using, a decomposition procedure with pivoting. The research reported to-date for the interface element includes the one-dimensional line interface element and two-dimensional surface interface element. Several large-scale simulations, including geometrically nonlinear problems, have been reported using the one-dimensional interface element technology; however, only limited applications are available for the surface interface element. In the applications reported to-date, the geometry of the interfaced domains exactly match each other even though the spatial discretization within each domain may be different. As such, the spatial modeling of each domain, the interface elements and the assembled system is still laborious. The present research is focused on developing a rapid modeling procedure based on a parametric interface representation of independently defined subdomains which are also independently discretized.

Molecular dynamics simulation of propagating cracks

NASA Technical Reports Server (NTRS)

Mullins, M.

1982-01-01

Steady state crack propagation is investigated numerically using a model consisting of 236 free atoms in two (010) planes of bcc alpha iron. The continuum region is modeled using the finite element method with 175 nodes and 288 elements. The model shows clear (010) plane fracture to the edge of the discrete region at moderate loads. Analysis of the results obtained indicates that models of this type can provide realistic simulation of steady state crack propagation.

Comparisons of Particle Tracking Techniques and Galerkin Finite Element Methods in Flow Simulations on Watershed Scales

NASA Astrophysics Data System (ADS)

Shih, D.; Yeh, G.

2009-12-01

This paper applies two numerical approximations, the particle tracking technique and Galerkin finite element method, to solve the diffusive wave equation in both one-dimensional and two-dimensional flow simulations. The finite element method is one of most commonly approaches in numerical problems. It can obtain accurate solutions, but calculation times may be rather extensive. The particle tracking technique, using either single-velocity or average-velocity tracks to efficiently perform advective transport, could use larger time-step sizes than the finite element method to significantly save computational time. Comparisons of the alternative approximations are examined in this poster. We adapt the model WASH123D to examine the work. WASH123D is an integrated multimedia, multi-processes, physics-based computational model suitable for various spatial-temporal scales, was first developed by Yeh et al., at 1998. The model has evolved in design capability and flexibility, and has been used for model calibrations and validations over the course of many years. In order to deliver a locally hydrological model in Taiwan, the Taiwan Typhoon and Flood Research Institute (TTFRI) is working with Prof. Yeh to develop next version of WASH123D. So, the work of our preliminary cooperationx is also sketched in this poster.

Finite Element Peen Forming Simulation

NASA Astrophysics Data System (ADS)

Gariépy, Alexandre; Larose, Simon; Perron, Claude; Bocher, Philippe; Lévesque, Martin

Shot peening consists of projecting multiple small particles onto a ductile part in order to induce compressive residual stresses near the surface. Peen forming, a derivative of shot peening, is a process that creates an unbalanced stress state which in turn leads to a deformation to shape thin parts. This versatile and cost-effective process is commonly used to manufacture aluminum wing skins and rocket panels. This paper presents the finite element modelling approach that was developed by the authors to simulate the process. The method relies on shell elements and calculated stress profiles and uses an approximation equation to take into account the incremental nature of the process. Finite element predictions were in good agreement with experimental results for small-scale tests. The method was extended to a hypothetical wing skin model to show its potential applications.

Multi-Scale Modeling of Liquid Phase Sintering Affected by Gravity: Preliminary Analysis

NASA Technical Reports Server (NTRS)

Olevsky, Eugene; German, Randall M.

2012-01-01

A multi-scale simulation concept taking into account impact of gravity on liquid phase sintering is described. The gravity influence can be included at both the micro- and macro-scales. At the micro-scale, the diffusion mass-transport is directionally modified in the framework of kinetic Monte-Carlo simulations to include the impact of gravity. The micro-scale simulations can provide the values of the constitutive parameters for macroscopic sintering simulations. At the macro-scale, we are attempting to embed a continuum model of sintering into a finite-element framework that includes the gravity forces and substrate friction. If successful, the finite elements analysis will enable predictions relevant to space-based processing, including size and shape and property predictions. Model experiments are underway to support the models via extraction of viscosity moduli versus composition, particle size, heating rate, temperature and time.

A mesoscopic bridging scale method for fluids and coupling dissipative particle dynamics with continuum finite element method

PubMed Central

Kojic, Milos; Filipovic, Nenad; Tsuda, Akira

2012-01-01

A multiscale procedure to couple a mesoscale discrete particle model and a macroscale continuum model of incompressible fluid flow is proposed in this study. We call this procedure the mesoscopic bridging scale (MBS) method since it is developed on the basis of the bridging scale method for coupling molecular dynamics and finite element models [G.J. Wagner, W.K. Liu, Coupling of atomistic and continuum simulations using a bridging scale decomposition, J. Comput. Phys. 190 (2003) 249–274]. We derive the governing equations of the MBS method and show that the differential equations of motion of the mesoscale discrete particle model and finite element (FE) model are only coupled through the force terms. Based on this coupling, we express the finite element equations which rely on the Navier–Stokes and continuity equations, in a way that the internal nodal FE forces are evaluated using viscous stresses from the mesoscale model. The dissipative particle dynamics (DPD) method for the discrete particle mesoscale model is employed. The entire fluid domain is divided into a local domain and a global domain. Fluid flow in the local domain is modeled with both DPD and FE method, while fluid flow in the global domain is modeled by the FE method only. The MBS method is suitable for modeling complex (colloidal) fluid flows, where continuum methods are sufficiently accurate only in the large fluid domain, while small, local regions of particular interest require detailed modeling by mesoscopic discrete particles. Solved examples – simple Poiseuille and driven cavity flows illustrate the applicability of the proposed MBS method. PMID:23814322

Process metallurgy simulation for metal drawing process optimization by using two-scale finite element method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakamachi, Eiji; Yoshida, Takashi; Yamaguchi, Toshihiko

2014-10-06

We developed two-scale FE analysis procedure based on the crystallographic homogenization method by considering the hierarchical structure of poly-crystal aluminium alloy metal. It can be characterized as the combination of two-scale structure, such as the microscopic polycrystal structure and the macroscopic elastic plastic continuum. Micro polycrystal structure can be modeled as a three dimensional representative volume element (RVE). RVE is featured as by 3×3×3 eight-nodes solid finite elements, which has 216 crystal orientations. This FE analysis code can predict the deformation, strain and stress evolutions in the wire drawing processes in the macro- scales, and further the crystal texture andmore » hardening evolutions in the micro-scale. In this study, we analyzed the texture evolution in the wire drawing processes by our two-scale FE analysis code under conditions of various drawing angles of dice. We evaluates the texture evolution in the surface and center regions of the wire cross section, and to clarify the effects of processing conditions on the texture evolution.« less

Process metallurgy simulation for metal drawing process optimization by using two-scale finite element method

NASA Astrophysics Data System (ADS)

Nakamachi, Eiji; Yoshida, Takashi; Kuramae, Hiroyuki; Morimoto, Hideo; Yamaguchi, Toshihiko; Morita, Yusuke

2014-10-01

We developed two-scale FE analysis procedure based on the crystallographic homogenization method by considering the hierarchical structure of poly-crystal aluminium alloy metal. It can be characterized as the combination of two-scale structure, such as the microscopic polycrystal structure and the macroscopic elastic plastic continuum. Micro polycrystal structure can be modeled as a three dimensional representative volume element (RVE). RVE is featured as by 3×3×3 eight-nodes solid finite elements, which has 216 crystal orientations. This FE analysis code can predict the deformation, strain and stress evolutions in the wire drawing processes in the macro- scales, and further the crystal texture and hardening evolutions in the micro-scale. In this study, we analyzed the texture evolution in the wire drawing processes by our two-scale FE analysis code under conditions of various drawing angles of dice. We evaluates the texture evolution in the surface and center regions of the wire cross section, and to clarify the effects of processing conditions on the texture evolution.

A Modeling Approach for Burn Scar Assessment Using Natural Features and Elastic Property

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsap, L V; Zhang, Y; Goldgof, D B

2004-04-02

A modeling approach is presented for quantitative burn scar assessment. Emphases are given to: (1) constructing a finite element model from natural image features with an adaptive mesh, and (2) quantifying the Young's modulus of scars using the finite element model and the regularization method. A set of natural point features is extracted from the images of burn patients. A Delaunay triangle mesh is then generated that adapts to the point features. A 3D finite element model is built on top of the mesh with the aid of range images providing the depth information. The Young's modulus of scars ismore » quantified with a simplified regularization functional, assuming that the knowledge of scar's geometry is available. The consistency between the Relative Elasticity Index and the physician's rating based on the Vancouver Scale (a relative scale used to rate burn scars) indicates that the proposed modeling approach has high potentials for image-based quantitative burn scar assessment.« less

Thermodynamic stability of boron: the role of defects and zero point motion.

PubMed

van Setten, Michiel J; Uijttewaal, Matthé A; de Wijs, Gilles A; de Groot, Robert A

2007-03-07

Its low weight, high melting point, and large degree of hardness make elemental boron a technologically interesting material. The large number of allotropes, mostly containing over a hundred atoms in the unit cell, and their difficult characterization challenge both experimentalists and theoreticians. Even the ground state of this element is still under discussion. For over 30 years, scientists have attempted to determine the relative stability of alpha- and beta-rhombohedral boron. We use density functional calculations in the generalized gradient approximation to study a broad range of possible beta-rhombohedral structures containing interstitial atoms and partially occupied sites within a 105 atoms framework. The two most stable structures are practically degenerate in energy and semiconducting. One contains the experimental 320 atoms in the hexagonal unit cell, and the other contains 106 atoms in the triclinic unit cell. When populated with the experimental 320 electrons, the 106 atom structure exhibits a band gap of 1.4 eV and an in-gap hole trap at 0.35 eV above the valence band, consistent with known experiments. The total energy of these two structures is 23 meV/B lower than the original 105 atom framework, but it is still 1 meV/B above the alpha phase. Adding zero point energies finally makes the beta phase the ground state of elemental boron by 3 meV/B. At finite temperatures, the difference becomes even larger.

Active earth pressure model tests versus finite element analysis

NASA Astrophysics Data System (ADS)

Pietrzak, Magdalena

2017-06-01

The purpose of the paper is to compare failure mechanisms observed in small scale model tests on granular sample in active state, and simulated by finite element method (FEM) using Plaxis 2D software. Small scale model tests were performed on rectangular granular sample retained by a rigid wall. Deformation of the sample resulted from simple wall translation in the direction `from the soil" (active earth pressure state. Simple Coulomb-Mohr model for soil can be helpful in interpreting experimental findings in case of granular materials. It was found that the general alignment of strain localization pattern (failure mechanism) may belong to macro scale features and be dominated by a test boundary conditions rather than the nature of the granular sample.

Coherent and radiative couplings through two-dimensional structured environments

NASA Astrophysics Data System (ADS)

Galve, F.; Zambrini, R.

2018-03-01

We study coherent and radiative interactions induced among two or more quantum units by coupling them to two-dimensional (2D) lattices acting as structured environments. This model can be representative of atoms trapped near photonic crystal slabs, trapped ions in Coulomb crystals, or to surface acoustic waves on piezoelectric materials, cold atoms on state-dependent optical lattices, or even circuit QED architectures, to name a few. We compare coherent and radiative contributions for the isotropic and directional regimes of emission into the lattice, for infinite and finite lattices, highlighting their differences and existing pitfalls, e.g., related to long-time or large-lattice limits. We relate the phenomenon of directionality of emission with linear-shaped isofrequency manifolds in the dispersion relation, showing a simple way to disrupt it. For finite lattices, we study further details such as the scaling of resonant number of lattice modes for the isotropic and directional regimes, and relate this behavior with known van Hove singularities in the infinite lattice limit. Furthermore, we export the understanding of emission dynamics with the decay of entanglement for two quantum, atomic or bosonic, units coupled to the 2D lattice. We analyze in some detail completely subradiant configurations of more than two atoms, which can occur in the finite lattice scenario, in contrast with the infinite lattice case. Finally, we demonstrate that induced coherent interactions for dark states are zero for the finite lattice.

A combined finite element-boundary element formulation for solution of axially symmetric bodies

NASA Technical Reports Server (NTRS)

Collins, Jeffrey D.; Volakis, John L.

1991-01-01

A new method is presented for the computation of electromagnetic scattering from axially symmetric bodies. To allow the simulation of inhomogeneous cross sections, the method combines the finite element and boundary element techniques. Interior to a fictitious surface enclosing the scattering body, the finite element method is used which results in a sparce submatrix, whereas along the enclosure the Stratton-Chu integral equation is enforced. By choosing the fictitious enclosure to be a right circular cylinder, most of the resulting boundary integrals are convolutional and may therefore be evaluated via the FFT with which the system is iteratively solved. In view of the sparce matrix associated with the interior fields, this reduces the storage requirement of the entire system to O(N) making the method attractive for large scale computations. The details of the corresponding formulation and its numerical implementation are described.

TECHNICAL NOTE: Direct finite-element analysis of the frequency response of a Y-Z lithium niobate SAW filter

NASA Astrophysics Data System (ADS)

Xu, Guanshui

2000-12-01

A direct finite-element model is developed for the full-scale analysis of the electromechanical phenomena involved in surface acoustic wave (SAW) devices. The equations of wave propagation in piezoelectric materials are discretized using the Galerkin method, in which an implicit algorithm of the Newmark family with unconditional stability is implemented. The Rayleigh damping coefficients are included in the elements near the boundary to reduce the influence of the reflection of waves. The performance of the model is demonstrated by the analysis of the frequency response of a Y-Z lithium niobate filter with two uniform ports, with emphasis on the influence of the number of electrodes. The frequency response of the filter is obtained through the Fourier transform of the impulse response, which is solved directly from the finite-element simulation. It shows that the finite-element results are in good agreement with the characteristic frequency response of the filter predicted by the simple phase-matching argument. The ability of the method to evaluate the influence of the bulk waves at the high-frequency end of the filter passband and the influence of the number of electrodes on insertion loss is noteworthy. We conclude that the direct finite-element analysis of SAW devices can be used as an effective tool for the design of high-performance SAW devices. Some practical computational challenges of finite-element modeling of SAW devices are discussed.

Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghosh, Swarnava; Suryanarayana, Phanish, E-mail: phanish.suryanarayana@ce.gatech.edu

2016-02-15

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we develop a generalized framework for performing OF-DFT simulations with different variants of the electronic kinetic energy. In particular, we propose a self-consistent field (SCF) type fixed-point method for calculations involving linear-response kinetic energy functionals. In this framework, evaluation of both the electronic ground-state and forces on the nuclei are amenable to computations that scale linearly with the number of atoms. We develop a parallel implementation of this formulation using the finite-difference discretization.more » We demonstrate that higher-order finite-differences can achieve relatively large convergence rates with respect to mesh-size in both the energies and forces. Additionally, we establish that the fixed-point iteration converges rapidly, and that it can be further accelerated using extrapolation techniques like Anderson's mixing. We validate the accuracy of the results by comparing the energies and forces with plane-wave methods for selected examples, including the vacancy formation energy in Aluminum. Overall, the suitability of the proposed formulation for scalable high performance computing makes it an attractive choice for large-scale OF-DFT calculations consisting of thousands of atoms.« less

Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis

DOE PAGES

Fattebert, Jean-Luc; Lau, Edmond Y.; Bennion, Brian J.; ...

2015-10-22

Enzymes are complicated solvated systems that typically require many atoms to simulate their function with any degree of accuracy. We have recently developed numerical techniques for large scale First-Principles molecular dynamics simulations and applied them to study the enzymatic reaction catalyzed by acetylcholinesterase. We carried out Density functional theory calculations for a quantum mechanical (QM) sub- system consisting of 612 atoms with an O(N) complexity finite-difference approach. The QM sub-system is embedded inside an external potential field representing the electrostatic effect due to the environment. We obtained finite temperature sampling by First-Principles molecular dynamics for the acylation reaction of acetylcholinemore » catalyzed by acetylcholinesterase. Our calculations shows two energies barriers along the reaction coordinate for the enzyme catalyzed acylation of acetylcholine. In conclusion, the second barrier (8.5 kcal/mole) is rate-limiting for the acylation reaction and in good agreement with experiment.« less

Particle-based simulation of charge transport in discrete-charge nano-scale systems: the electrostatic problem

PubMed Central

2012-01-01

The fast and accurate computation of the electric forces that drive the motion of charged particles at the nanometer scale represents a computational challenge. For this kind of system, where the discrete nature of the charges cannot be neglected, boundary element methods (BEM) represent a better approach than finite differences/finite elements methods. In this article, we compare two different BEM approaches to a canonical electrostatic problem in a three-dimensional space with inhomogeneous dielectrics, emphasizing their suitability for particle-based simulations: the iterative method proposed by Hoyles et al. and the Induced Charge Computation introduced by Boda et al. PMID:22338640

Particle-based simulation of charge transport in discrete-charge nano-scale systems: the electrostatic problem.

PubMed

Berti, Claudio; Gillespie, Dirk; Eisenberg, Robert S; Fiegna, Claudio

2012-02-16

The fast and accurate computation of the electric forces that drive the motion of charged particles at the nanometer scale represents a computational challenge. For this kind of system, where the discrete nature of the charges cannot be neglected, boundary element methods (BEM) represent a better approach than finite differences/finite elements methods. In this article, we compare two different BEM approaches to a canonical electrostatic problem in a three-dimensional space with inhomogeneous dielectrics, emphasizing their suitability for particle-based simulations: the iterative method proposed by Hoyles et al. and the Induced Charge Computation introduced by Boda et al.

Finite Element Simulation of the Shear Effect of Ultrasonic on Heat Exchanger Descaling

NASA Astrophysics Data System (ADS)

Lu, Shaolv; Wang, Zhihua; Wang, Hehui

2018-03-01

The shear effect on the interface of metal plate and its attached scale is an important mechanism of ultrasonic descaling, which is caused by the different propagation speed of ultrasonic wave in two different mediums. The propagating of ultrasonic wave on the shell is simulated based on the ANSYS/LS-DYNA explicit dynamic analysis. The distribution of shear stress in different paths under ultrasonic vibration is obtained through the finite element analysis and it reveals the main descaling mechanism of shear effect. The simulation result is helpful and enlightening to the reasonable design and the application of the ultrasonic scaling technology on heat exchanger.

Variational approach to probabilistic finite elements

NASA Technical Reports Server (NTRS)

Belytschko, T.; Liu, W. K.; Mani, A.; Besterfield, G.

1991-01-01

Probabilistic finite element methods (PFEM), synthesizing the power of finite element methods with second-moment techniques, are formulated for various classes of problems in structural and solid mechanics. Time-invariant random materials, geometric properties and loads are incorporated in terms of their fundamental statistics viz. second-moments. Analogous to the discretization of the displacement field in finite element methods, the random fields are also discretized. Preserving the conceptual simplicity, the response moments are calculated with minimal computations. By incorporating certain computational techniques, these methods are shown to be capable of handling large systems with many sources of uncertainties. By construction, these methods are applicable when the scale of randomness is not very large and when the probabilistic density functions have decaying tails. The accuracy and efficiency of these methods, along with their limitations, are demonstrated by various applications. Results obtained are compared with those of Monte Carlo simulation and it is shown that good accuracy can be obtained for both linear and nonlinear problems. The methods are amenable to implementation in deterministic FEM based computer codes.

Variational approach to probabilistic finite elements

NASA Astrophysics Data System (ADS)

Belytschko, T.; Liu, W. K.; Mani, A.; Besterfield, G.

1991-08-01

Probabilistic finite element methods (PFEM), synthesizing the power of finite element methods with second-moment techniques, are formulated for various classes of problems in structural and solid mechanics. Time-invariant random materials, geometric properties and loads are incorporated in terms of their fundamental statistics viz. second-moments. Analogous to the discretization of the displacement field in finite element methods, the random fields are also discretized. Preserving the conceptual simplicity, the response moments are calculated with minimal computations. By incorporating certain computational techniques, these methods are shown to be capable of handling large systems with many sources of uncertainties. By construction, these methods are applicable when the scale of randomness is not very large and when the probabilistic density functions have decaying tails. The accuracy and efficiency of these methods, along with their limitations, are demonstrated by various applications. Results obtained are compared with those of Monte Carlo simulation and it is shown that good accuracy can be obtained for both linear and nonlinear problems. The methods are amenable to implementation in deterministic FEM based computer codes.

Variational approach to probabilistic finite elements

NASA Technical Reports Server (NTRS)

Belytschko, T.; Liu, W. K.; Mani, A.; Besterfield, G.

1987-01-01

Probabilistic finite element method (PFEM), synthesizing the power of finite element methods with second-moment techniques, are formulated for various classes of problems in structural and solid mechanics. Time-invariant random materials, geometric properties, and loads are incorporated in terms of their fundamental statistics viz. second-moments. Analogous to the discretization of the displacement field in finite element methods, the random fields are also discretized. Preserving the conceptual simplicity, the response moments are calculated with minimal computations. By incorporating certain computational techniques, these methods are shown to be capable of handling large systems with many sources of uncertainties. By construction, these methods are applicable when the scale of randomness is not very large and when the probabilistic density functions have decaying tails. The accuracy and efficiency of these methods, along with their limitations, are demonstrated by various applications. Results obtained are compared with those of Monte Carlo simulation and it is shown that good accuracy can be obtained for both linear and nonlinear problems. The methods are amenable to implementation in deterministic FEM based computer codes.

The Penn State Safety Floor: Part I--Design parameters associated with walking deflections.

PubMed

Casalena, J A; Ovaert, T C; Cavanagh, P R; Streit, D A

1998-08-01

A new flooring system has been developed to reduce peak impact forces to the hips when humans fall. The new safety floor is designed to remain relatively rigid under normal walking conditions, but to deform elastically when impacted during a fall. Design objectives included minimizing peak force experienced by the femur during a fall-induced impact, while maintaining a maximum of 2 mm of floor deflection during walking. Finite Element Models (FEMs) were developed to capture the complex dynamics of impact response between two deformable bodies. Validation of the finite element models included analytical calculations of theoretical buckling column response, experimental quasi-static loading of full-scale flooring prototypes, and flooring response during walking trials. Finite Element Method results compared well with theoretical and experimental data. Both finite element and experimental data suggest that the proposed safety floor can effectively meet the design goal of 2 mm maximum deflection during walking, while effectively reducing impact forces during a fall.

A mixed parallel strategy for the solution of coupled multi-scale problems at finite strains

NASA Astrophysics Data System (ADS)

Lopes, I. A. Rodrigues; Pires, F. M. Andrade; Reis, F. J. P.

2018-02-01

A mixed parallel strategy for the solution of homogenization-based multi-scale constitutive problems undergoing finite strains is proposed. The approach aims to reduce the computational time and memory requirements of non-linear coupled simulations that use finite element discretization at both scales (FE^2). In the first level of the algorithm, a non-conforming domain decomposition technique, based on the FETI method combined with a mortar discretization at the interface of macroscopic subdomains, is employed. A master-slave scheme, which distributes tasks by macroscopic element and adopts dynamic scheduling, is then used for each macroscopic subdomain composing the second level of the algorithm. This strategy allows the parallelization of FE^2 simulations in computers with either shared memory or distributed memory architectures. The proposed strategy preserves the quadratic rates of asymptotic convergence that characterize the Newton-Raphson scheme. Several examples are presented to demonstrate the robustness and efficiency of the proposed parallel strategy.

Application of Probability Methods to Assess Crash Modeling Uncertainty

NASA Technical Reports Server (NTRS)

Lyle, Karen H.; Stockwell, Alan E.; Hardy, Robin C.

2003-01-01

Full-scale aircraft crash simulations performed with nonlinear, transient dynamic, finite element codes can incorporate structural complexities such as: geometrically accurate models; human occupant models; and advanced material models to include nonlinear stress-strain behaviors, and material failure. Validation of these crash simulations is difficult due to a lack of sufficient information to adequately determine the uncertainty in the experimental data and the appropriateness of modeling assumptions. This paper evaluates probabilistic approaches to quantify the effects of finite element modeling assumptions on the predicted responses. The vertical drop test of a Fokker F28 fuselage section will be the focus of this paper. The results of a probabilistic analysis using finite element simulations will be compared with experimental data.

Application of Probability Methods to Assess Crash Modeling Uncertainty

NASA Technical Reports Server (NTRS)

Lyle, Karen H.; Stockwell, Alan E.; Hardy, Robin C.

2007-01-01

Full-scale aircraft crash simulations performed with nonlinear, transient dynamic, finite element codes can incorporate structural complexities such as: geometrically accurate models; human occupant models; and advanced material models to include nonlinear stress-strain behaviors, and material failure. Validation of these crash simulations is difficult due to a lack of sufficient information to adequately determine the uncertainty in the experimental data and the appropriateness of modeling assumptions. This paper evaluates probabilistic approaches to quantify the effects of finite element modeling assumptions on the predicted responses. The vertical drop test of a Fokker F28 fuselage section will be the focus of this paper. The results of a probabilistic analysis using finite element simulations will be compared with experimental data.

Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni 0.5Co 0.5, Ni 0.5Fe 0.5, Ni 0.8Fe 0.2 and Ni 0.8Cr 0.2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Shijun; Stocks, George Malcolm; Zhang, Yanwen

2016-08-03

It has been shown that concentrated solid solution alloys possess unusual electronic, magnetic, transport, mechanical and radiation-resistant properties that are directly related to underlying chemical complexity. Because every atom experiences a different local atomic environment, the formation and migration energies of vacancies and interstitials in these alloys exhibit a distribution, rather than a single value as in a pure metal or dilute alloy. In this study, using ab initio calculations based on density functional theory and special quasirandom structure, we have characterized the distribution of defect formation energy and migration barrier in four Ni-based solid-solution alloys: Ni 0.5Co 0.5, Nimore » 0.5Fe 0.5, Ni 0.8Fe 0.2 and Ni 0.8Cr 0.2. As defect formation energies in finite-size models depend sensitively on the elemental chemical potential, we have developed a computationally efficient method for determining it which takes into account the global composition and the local short-range order. In addition we have compared the results of our ab initio calculations to those obtained from available embedded atom method (EAM) potentials. Our results indicate that the defect formation and migration energies are closely related to the specific atomic size in the structure, which further determines the elemental diffusion properties. In conclusion, different EAM potentials yield different features of defect energetics in concentrated alloys, pointing to the need for additional potential development efforts in order to allow spatial and temporal scale-up of defect and simulations, beyond those accessible to ab initio methods.« less

Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2 and Ni0.8Cr0.2.

PubMed

Zhao, Shijun; Stocks, G Malcolm; Zhang, Yanwen

2016-09-14

It has been shown that concentrated solid solution alloys possess unusual electronic, magnetic, transport, mechanical and radiation-resistant properties that are directly related to underlying chemical complexity. Because every atom experiences a different local atomic environment, the formation and migration energies of vacancies and interstitials in these alloys exhibit a distribution, rather than a single value as in a pure metal or dilute alloy. Using ab initio calculations based on density functional theory and special quasirandom structures, we have characterized the distribution of defect formation energy and migration barrier in four Ni-based solid-solution alloys: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2, and Ni0.8Cr0.2. As defect formation energies in finite-size models depend sensitively on the elemental chemical potential, we have developed a computationally efficient method for determining it which takes into account the global composition and the local short-range order. In addition we have compared the results of our ab initio calculations to those obtained from available embedded atom method (EAM) potentials. Our results indicate that the defect formation and migration energies are closely related to the specific atoms in the structure, which further determines the elemental diffusion properties. Different EAM potentials yield different features of defect energetics in concentrated alloys, pointing to the need for additional potential development efforts in order to allow spatial and temporal scale-up of defect and simulations, beyond those accessible to ab initio methods.

Observation of the Anderson metal-insulator transition with atomic matter waves: Theory and experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lemarie, Gabriel; Delande, Dominique; Chabe, Julien

Using a cold atomic gas exposed to laser pulses - a realization of the chaotic quasiperiodic kicked rotor with three incommensurate frequencies - we study experimentally and theoretically the Anderson metal-insulator transition in three dimensions. Sensitive measurements of the atomic wave function and the use of finite-size scaling techniques make it possible to unambiguously demonstrate the existence of a quantum phase transition and to measure its critical exponents. By taking proper account of systematic corrections to one-parameter scaling, we show the universality of the critical exponent {nu}=1.59{+-}0.01, which is found to be equal to the one previously computed for themore » Anderson model.« less

A Mixed Finite Volume Element Method for Flow Calculations in Porous Media

NASA Technical Reports Server (NTRS)

Jones, Jim E.

1996-01-01

A key ingredient in the simulation of flow in porous media is the accurate determination of the velocities that drive the flow. The large scale irregularities of the geology, such as faults, fractures, and layers suggest the use of irregular grids in the simulation. Work has been done in applying the finite volume element (FVE) methodology as developed by McCormick in conjunction with mixed methods which were developed by Raviart and Thomas. The resulting mixed finite volume element discretization scheme has the potential to generate more accurate solutions than standard approaches. The focus of this paper is on a multilevel algorithm for solving the discrete mixed FVE equations. The algorithm uses a standard cell centered finite difference scheme as the 'coarse' level and the more accurate mixed FVE scheme as the 'fine' level. The algorithm appears to have potential as a fast solver for large size simulations of flow in porous media.

Nanoscale Viscoelasticity of Extracellular Matrix Proteins in Soft Tissues: a Multiscale Approach

PubMed Central

Miri, Amir K.; Heris, Hossein K.; Mongeau, Luc; Javid, Farhad

2013-01-01

We propose that the bulk viscoelasticity of soft tissues results from two length-scale-dependent mechanisms: the time-dependent response of extracellular matrix proteins (ECM) at the nanometer scale and the biophysical interactions between the ECM solid structure and interstitial fluid at the micrometer scale. The latter was modeled using the poroelasticity theory with an assumption of free motion of the interstitial fluid within the porous ECM structure. Following a recent study (Heris, H.K., Miri, A.K., Tripathy, U., Barthelat, F., Mongeau, L., 2013. Journal of the Mechanical Behavior of Biomedical Materials), atomic force microscopy was used to perform creep loading and 50-nm sinusoidal oscillations on porcine vocal folds. The proposed model was calibrated by a finite element model to accurately predict the nanoscale viscoelastic moduli of ECM. A linear correlation was observed between the in-depth distribution of the viscoelastic moduli and that of hyaluronic acids in the vocal fold tissue. We conclude that hyaluronic acids may regulate the vocal fold viscoelasticity at nanoscale. The proposed methodology offers a characterization tool for biomaterials used in vocal fold augmentations. PMID:24317493

Multiscale Modeling for the Analysis for Grain-Scale Fracture Within Aluminum Microstructures

NASA Technical Reports Server (NTRS)

Glaessgen, Edward H.; Phillips, Dawn R.; Yamakov, Vesselin; Saether, Erik

2005-01-01

Multiscale modeling methods for the analysis of metallic microstructures are discussed. Both molecular dynamics and the finite element method are used to analyze crack propagation and stress distribution in a nanoscale aluminum bicrystal model subjected to hydrostatic loading. Quantitative similarity is observed between the results from the two very different analysis methods. A bilinear traction-displacement relationship that may be embedded into cohesive zone finite elements is extracted from the nanoscale molecular dynamics results.

The Impact of Varying the Physics Grid Resolution Relative to the Dynamical Core Resolution in CAM-SE-CSLAM

NASA Astrophysics Data System (ADS)

Herrington, A. R.; Lauritzen, P. H.; Reed, K. A.

2017-12-01

The spectral element dynamical core of the Community Atmosphere Model (CAM) has recently been coupled to an approximately isotropic, finite-volume grid per implementation of the conservative semi-Lagrangian multi-tracer transport scheme (CAM-SE-CSLAM; Lauritzen et al. 2017). In this framework, the semi-Lagrangian transport of tracers are computed on the finite-volume grid, while the adiabatic dynamics are solved using the spectral element grid. The physical parameterizations are evaluated on the finite-volume grid, as opposed to the unevenly spaced Gauss-Lobatto-Legendre nodes of the spectral element grid. Computing the physics on the finite-volume grid reduces numerical artifacts such as grid imprinting, possibly because the forcing terms are no longer computed at element boundaries where the resolved dynamics are least smooth. The separation of the physics grid and the dynamics grid allows for a unique opportunity to understand the resolution sensitivity in CAM-SE-CSLAM. The observed large sensitivity of CAM to horizontal resolution is a poorly understood impediment to improved simulations of regional climate using global, variable resolution grids. Here, a series of idealized moist simulations are presented in which the finite-volume grid resolution is varied relative to the spectral element grid resolution in CAM-SE-CSLAM. The simulations are carried out at multiple spectral element grid resolutions, in part to provide a companion set of simulations, in which the spectral element grid resolution is varied relative to the finite-volume grid resolution, but more generally to understand if the sensitivity to the finite-volume grid resolution is consistent across a wider spectrum of resolved scales. Results are interpreted in the context of prior ideas regarding resolution sensitivity of global atmospheric models.

Space charge limited current measurements on conjugated polymer films using conductive atomic force microscopy.

PubMed

Reid, Obadiah G; Munechika, Keiko; Ginger, David S

2008-06-01

We describe local (~150 nm resolution), quantitative measurements of charge carrier mobility in conjugated polymer films that are commonly used in thin-film transistors and nanostructured solar cells. We measure space charge limited currents (SCLC) through these films using conductive atomic force microscopy (c-AFM) and in macroscopic diodes. The current densities we measure with c-AFM are substantially higher than those observed in planar devices at the same bias. This leads to an overestimation of carrier mobility by up to 3 orders of magnitude when using the standard Mott-Gurney law to fit the c-AFM data. We reconcile this apparent discrepancy between c-AFM and planar device measurements by accounting for the proper tip-sample geometry using finite element simulations of tip-sample currents. We show that a semiempirical scaling factor based on the ratio of the tip contact area diameter to the sample thickness can be used to correct c-AFM current-voltage curves and thus extract mobilities that are in good agreement with values measured in the conventional planar device geometry.

The Programming Language Python In Earth System Simulations

NASA Astrophysics Data System (ADS)

Gross, L.; Imranullah, A.; Mora, P.; Saez, E.; Smillie, J.; Wang, C.

2004-12-01

Mathematical models in earth sciences base on the solution of systems of coupled, non-linear, time-dependent partial differential equations (PDEs). The spatial and time-scale vary from a planetary scale and million years for convection problems to 100km and 10 years for fault systems simulations. Various techniques are in use to deal with the time dependency (e.g. Crank-Nicholson), with the non-linearity (e.g. Newton-Raphson) and weakly coupled equations (e.g. non-linear Gauss-Seidel). Besides these high-level solution algorithms discretization methods (e.g. finite element method (FEM), boundary element method (BEM)) are used to deal with spatial derivatives. Typically, large-scale, three dimensional meshes are required to resolve geometrical complexity (e.g. in the case of fault systems) or features in the solution (e.g. in mantel convection simulations). The modelling environment escript allows the rapid implementation of new physics as required for the development of simulation codes in earth sciences. Its main object is to provide a programming language, where the user can define new models and rapidly develop high-level solution algorithms. The current implementation is linked with the finite element package finley as a PDE solver. However, the design is open and other discretization technologies such as finite differences and boundary element methods could be included. escript is implemented as an extension of the interactive programming environment python (see www.python.org). Key concepts introduced are Data objects, which are holding values on nodes or elements of the finite element mesh, and linearPDE objects, which are defining linear partial differential equations to be solved by the underlying discretization technology. In this paper we will show the basic concepts of escript and will show how escript is used to implement a simulation code for interacting fault systems. We will show some results of large-scale, parallel simulations on an SGI Altix system. Acknowledgements: Project work is supported by Australian Commonwealth Government through the Australian Computational Earth Systems Simulator Major National Research Facility, Queensland State Government Smart State Research Facility Fund, The University of Queensland and SGI.

Generalized multiscale finite-element method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Kai; Fu, Shubin; Gibson, Richard L.

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale mediummore » property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.« less

Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Kai, E-mail: kaigao87@gmail.com; Fu, Shubin, E-mail: shubinfu89@gmail.com; Gibson, Richard L., E-mail: gibson@tamu.edu

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale mediummore » property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.« less

Generalized multiscale finite-element method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

DOE PAGES

Gao, Kai; Fu, Shubin; Gibson, Richard L.; ...

2015-04-14

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale mediummore » property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.« less

Simulation of Heterogeneous Atom Probe Tip Shapes Evolution during Field Evaporation Using a Level Set Method and Different Evaporation Models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Zhijie; Li, Dongsheng; Xu, Wei

2015-04-01

In atom probe tomography (APT), accurate reconstruction of the spatial positions of field evaporated ions from measured detector patterns depends upon a correct understanding of the dynamic tip shape evolution and evaporation laws of component atoms. Artifacts in APT reconstructions of heterogeneous materials can be attributed to the assumption of homogeneous evaporation of all the elements in the material in addition to the assumption of a steady state hemispherical dynamic tip shape evolution. A level set method based specimen shape evolution model is developed in this study to simulate the evaporation of synthetic layered-structured APT tips. The simulation results ofmore » the shape evolution by the level set model qualitatively agree with the finite element method and the literature data using the finite difference method. The asymmetric evolving shape predicted by the level set model demonstrates the complex evaporation behavior of heterogeneous tip and the interface curvature can potentially lead to the artifacts in the APT reconstruction of such materials. Compared with other APT simulation methods, the new method provides smoother interface representation with the aid of the intrinsic sub-grid accuracy. Two evaporation models (linear and exponential evaporation laws) are implemented in the level set simulations and the effect of evaporation laws on the tip shape evolution is also presented.« less

Finite element solutions for crack-tip behavior in small-scale yielding

NASA Technical Reports Server (NTRS)

Tracey, D. M.

1976-01-01

The subject considered is the stress and deformation fields in a cracked elastic-plastic power law hardening material under plane strain tensile loading. An incremental plasticity finite element formulation is developed for accurate analysis of the complete field problem including the extensively deformed near tip region, the elastic-plastic region, and the remote elastic region. The formulation has general applicability and was used to solve the small scale yielding problem for a set of material hardening exponents. Distributions of stress, strain, and crack opening displacement at the crack tip and through the elastic-plastic zone are presented as a function of the elastic stress intensity factor and material properties.

The Overshoot Phenomenon in Geodynamics Codes

NASA Astrophysics Data System (ADS)

Kommu, R. K.; Heien, E. M.; Kellogg, L. H.; Bangerth, W.; Heister, T.; Studley, E. H.

2013-12-01

The overshoot phenomenon is a common occurrence in numerical software when a continuous function on a finite dimensional discretized space is used to approximate a discontinuous jump, in temperature and material concentration, for example. The resulting solution overshoots, and undershoots, the discontinuous jump. Numerical simulations play an extremely important role in mantle convection research. This is both due to the strong temperature and stress dependence of viscosity and also due to the inaccessibility of deep earth. Under these circumstances, it is essential that mantle convection simulations be extremely accurate and reliable. CitcomS and ASPECT are two finite element based mantle convection simulations developed and maintained by the Computational Infrastructure for Geodynamics. CitcomS is a finite element based mantle convection code that is designed to run on multiple high-performance computing platforms. ASPECT, an adaptive mesh refinement (AMR) code built on the Deal.II library, is also a finite element based mantle convection code that scales well on various HPC platforms. CitcomS and ASPECT both exhibit the overshoot phenomenon. One attempt at controlling the overshoot uses the Entropy Viscosity method, which introduces an artificial diffusion term in the energy equation of mantle convection. This artificial diffusion term is small where the temperature field is smooth. We present results from CitcomS and ASPECT that quantify the effect of the Entropy Viscosity method in reducing the overshoot phenomenon. In the discontinuous Galerkin (DG) finite element method, the test functions used in the method are continuous within each element but are discontinuous across inter-element boundaries. The solution space in the DG method is discontinuous. FEniCS is a collection of free software tools that automate the solution of differential equations using finite element methods. In this work we also present results from a finite element mantle convection simulation implemented in FEniCS that investigates the effect of using DG elements in reducing the overshoot problem.

Cooperative expression of atomic chirality in inorganic nanostructures.

PubMed

Wang, Peng-Peng; Yu, Shang-Jie; Govorov, Alexander O; Ouyang, Min

2017-02-02

Cooperative chirality phenomena extensively exist in biomolecular and organic systems via intra- and inter-molecular interactions, but study of inorganic materials has been lacking. Here we report, experimentally and theoretically, cooperative chirality in colloidal cinnabar mercury sulfide nanocrystals that originates from chirality interplay between the crystallographic lattice and geometric morphology at different length scales. A two-step synthetic scheme is developed to allow control of critical parameters of these two types of handedness, resulting in different chiral interplays expressed as observables through materials engineering. Furthermore, we adopt an electromagnetic model with the finite element method to elucidate cooperative chirality in inorganic systems, showing excellent agreement with experimental results. Our study enables an emerging class of nanostructures with tailored cooperative chirality that is vital for fundamental understanding of nanoscale chirality as well as technology applications based on new chiroptical building blocks.

Cooperative expression of atomic chirality in inorganic nanostructures

PubMed Central

Wang, Peng-peng; Yu, Shang-Jie; Govorov, Alexander O; Ouyang, Min

2017-01-01

Cooperative chirality phenomena extensively exist in biomolecular and organic systems via intra- and inter-molecular interactions, but study of inorganic materials has been lacking. Here we report, experimentally and theoretically, cooperative chirality in colloidal cinnabar mercury sulfide nanocrystals that originates from chirality interplay between the crystallographic lattice and geometric morphology at different length scales. A two-step synthetic scheme is developed to allow control of critical parameters of these two types of handedness, resulting in different chiral interplays expressed as observables through materials engineering. Furthermore, we adopt an electromagnetic model with the finite element method to elucidate cooperative chirality in inorganic systems, showing excellent agreement with experimental results. Our study enables an emerging class of nanostructures with tailored cooperative chirality that is vital for fundamental understanding of nanoscale chirality as well as technology applications based on new chiroptical building blocks. PMID:28148957

Predicting cell viability within tissue scaffolds under equiaxial strain: multi-scale finite element model of collagen-cardiomyocytes constructs.

PubMed

Elsaadany, Mostafa; Yan, Karen Chang; Yildirim-Ayan, Eda

2017-06-01

Successful tissue engineering and regenerative therapy necessitate having extensive knowledge about mechanical milieu in engineered tissues and the resident cells. In this study, we have merged two powerful analysis tools, namely finite element analysis and stochastic analysis, to understand the mechanical strain within the tissue scaffold and residing cells and to predict the cell viability upon applying mechanical strains. A continuum-based multi-length scale finite element model (FEM) was created to simulate the physiologically relevant equiaxial strain exposure on cell-embedded tissue scaffold and to calculate strain transferred to the tissue scaffold (macro-scale) and residing cells (micro-scale) upon various equiaxial strains. The data from FEM were used to predict cell viability under various equiaxial strain magnitudes using stochastic damage criterion analysis. The model validation was conducted through mechanically straining the cardiomyocyte-encapsulated collagen constructs using a custom-built mechanical loading platform (EQUicycler). FEM quantified the strain gradients over the radial and longitudinal direction of the scaffolds and the cells residing in different areas of interest. With the use of the experimental viability data, stochastic damage criterion, and the average cellular strains obtained from multi-length scale models, cellular viability was predicted and successfully validated. This methodology can provide a great tool to characterize the mechanical stimulation of bioreactors used in tissue engineering applications in providing quantification of mechanical strain and predicting cellular viability variations due to applied mechanical strain.

Scaling a Human Body Finite Element Model with Radial Basis Function Interpolation

DTIC Science & Technology

Human body models are currently used to evaluate the body’s response to a variety of threats to the Soldier. The ability to adjust the size of human...body models is currently limited because of the complex shape changes that are required. Here, a radial basis function interpolation method is used to...morph the shape on an existing finite element mesh. Tools are developed and integrated into the Blender computer graphics software to assist with

Finite element analysis of a micromechanical deformable mirror device

NASA Technical Reports Server (NTRS)

Sheerer, T. J.; Nelson, W. E.; Hornbeck, L. J.

1989-01-01

A monolithic spatial light modulator chip was developed consisting of a large number of micrometer-scale mirror cells which can be rotated through an angle by application of an electrostatic field. The field is generated by electronics integral to the chip. The chip has application in photoreceptor based non-impact printing technologies. Chips containing over 16000 cells were fabricated, and were tested to several billions of cycles. Finite Element Analysis (FEA) of the device was used to model both the electrical and mechanical characteristics.

Stability analysis and backward whirl investigation of cracked rotors with time-varying stiffness

NASA Astrophysics Data System (ADS)

AL-Shudeifat, Mohammad A.

2015-07-01

The dynamic stability of dynamical systems with time-periodic stiffness is addressed here. Cracked rotor systems with time-periodic stiffness are well-known examples of such systems. Time-varying area moments of inertia at the cracked element cross-section of a cracked rotor have been used to formulate the time-periodic finite element stiffness matrix. The semi-infinite coefficient matrix obtained by applying the harmonic balance (HB) solution to the finite element (FE) equations of motion is employed here to study the dynamic stability of the system. Consequently, the sign of the determinant of a scaled version of a sub-matrix of this semi-infinite coefficient matrix at a finite number of harmonics in the HB solution is found to be sufficient for identifying the major unstable zones of the system in the parameter plane. Specifically, it is found that the negative determinant always corresponds to unstable zones in all of the systems considered. This approach is applied to a parametrically excited Mathieu's equation, a two degree-of-freedom linear time-periodic dynamical system, a cracked Jeffcott rotor and a finite element model of the cracked rotor system. Compared to the corresponding results obtained by Floquet's theory, the sign of the determinant of the scaled sub-matrix is found to be an efficient tool for identifying the major unstable zones of the linear time-periodic parametrically excited systems, especially large-scale FE systems. Moreover, it is found that the unstable zones for a FE cracked rotor with an open transverse crack model only appear at the backward whirl. The theoretical and experimental results have been found to agree well for verifying that the open crack model excites the backward whirl amplitudes at the critical backward whirling rotational speeds.

Concurrent atomistic and continuum simulation of bi-crystal strontium titanate with tilt grain boundary

PubMed Central

Yang, Shengfeng; Chen, Youping

2015-01-01

In this paper, we present the development of a concurrent atomistic–continuum (CAC) methodology for simulation of the grain boundary (GB) structures and their interaction with other defects in ionic materials. Simulation results show that the CAC simulation allows a smooth passage of cracks through the atomistic–continuum interface without the need for additional constitutive rules or special numerical treatment; both the atomic-scale structures and the energies of the four different [001] tilt GBs in bi-crystal strontium titanate obtained by CAC compare well with those obtained by existing experiments and density function theory calculations. Although 98.4% of the degrees of freedom of the simulated atomistic system have been eliminated in a coarsely meshed finite-element region, the CAC results, including the stress–strain responses, the GB–crack interaction mechanisms and the effect of the interaction on the fracture strength, are comparable with that of all-atom molecular dynamics simulation results. In addition, CAC simulation results show that the GB–crack interaction has a significant effect on the fracture behaviour of bi-crystal strontium titanate; not only the misorientation angle but also the atomic-level details of the GB structure influence the effect of the GB on impeding crack propagation. PMID:25792957

Concurrent atomistic and continuum simulation of bi-crystal strontium titanate with tilt grain boundary.

PubMed

Yang, Shengfeng; Chen, Youping

2015-03-08

In this paper, we present the development of a concurrent atomistic-continuum (CAC) methodology for simulation of the grain boundary (GB) structures and their interaction with other defects in ionic materials. Simulation results show that the CAC simulation allows a smooth passage of cracks through the atomistic-continuum interface without the need for additional constitutive rules or special numerical treatment; both the atomic-scale structures and the energies of the four different [001] tilt GBs in bi-crystal strontium titanate obtained by CAC compare well with those obtained by existing experiments and density function theory calculations. Although 98.4% of the degrees of freedom of the simulated atomistic system have been eliminated in a coarsely meshed finite-element region, the CAC results, including the stress-strain responses, the GB-crack interaction mechanisms and the effect of the interaction on the fracture strength, are comparable with that of all-atom molecular dynamics simulation results. In addition, CAC simulation results show that the GB-crack interaction has a significant effect on the fracture behaviour of bi-crystal strontium titanate; not only the misorientation angle but also the atomic-level details of the GB structure influence the effect of the GB on impeding crack propagation.

Finite Element Simulation of Three Full-Scale Crash Tests for Cessna 172 Aircraft

NASA Technical Reports Server (NTRS)

Mason, Brian H.; Warren, Jerry E., Jr.

2017-01-01

The NASA Emergency Locator Transmitter Survivability and Reliability (ELT-SAR) project was initiated in 2013 to assess the crash performance standards for the next generation of emergency locator transmitter (ELT) systems. Three Cessna 172 aircraft were acquired to perform crash testing at NASA Langley Research Center's Landing and Impact Research Facility. Full-scale crash tests were conducted in the summer of 2015 and each test article was subjected to severe, but survivable, impact conditions including a flare-to-stall during emergency landing, and two controlled-flight-into-terrain scenarios. Full-scale finite element analyses were performed using a commercial explicit solver, ABAQUS. The first test simulated impacting a concrete surface represented analytically by a rigid plane. Tests 2 and 3 simulated impacting a dirt surface represented analytically by an Eulerian grid of brick elements using a Mohr-Coulomb material model. The objective of this paper is to summarize the test and analysis results for the three full-scale crash tests. Simulation models of the airframe which correlate well with the tests are needed for future studies of alternate ELT mounting configurations.

Simulating the Response of a Composite Honeycomb Energy Absorber. Part 2; Full-Scale Impact Testing

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Annett, Martin S.; Jackson, Karen E.; Polanco, Michael A.

2012-01-01

NASA has sponsored research to evaluate an externally deployable composite honeycomb designed to attenuate loads in the event of a helicopter crash. The concept, designated the Deployable Energy Absorber (DEA), is an expandable Kevlar(Registered TradeMark) honeycomb. The DEA has a flexible hinge that allows the honeycomb to be stowed collapsed until needed during an emergency. Evaluation of the DEA began with material characterization of the Kevlar(Registered TradeMark)-129 fabric/epoxy, and ended with a full-scale crash test of a retrofitted MD-500 helicopter. During each evaluation phase, finite element models of the test articles were developed and simulations were performed using the dynamic finite element code, LS-DYNA(Registered TradeMark). The paper will focus on simulations of two full-scale impact tests involving the DEA, a mass-simulator and a full-scale crash of an instrumented MD-500 helicopter. Isotropic (MAT24) and composite (MAT58) material models, which were assigned to DEA shell elements, were compared. Based on simulations results, the MAT58 model showed better agreement with test.

Correlation between micrometer-scale ripple alignment and atomic-scale crystallographic orientation of monolayer graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Jin Sik; Chang, Young Jun; Woo, Sungjong

Deformation normal to the surface is intrinsic in two-dimensional materials due to phononic thermal fluctuations at finite temperatures. Graphene's negative thermal expansion coefficient is generally explained by such an intrinsic property. Recently, friction measurements on graphene exfoliated on a silicon oxide surface revealed an anomalous anisotropy whose origin was believed to be the formation of ripple domains. Here, we uncover the atomistic origin of the observed friction domains using a cantilever torsion microscopy in conjunction with angle-resolved photoemission spectroscopy. We experimentally demonstrate that ripples on graphene are formed along the zigzag direction of the hexagonal lattice. The formation of zigzagmore » directional ripple is consistent with our theoretical model that takes account of the atomic-scale bending stiffness of carbon-carbon bonds and the interaction of graphene with the substrate. Lastly, the correlation between micrometer-scale ripple alignment and atomic-scale arrangement of exfoliated monolayer graphene is first discovered and suggests a practical tool for measuring lattice orientation of graphene.« less

Correlation between micrometer-scale ripple alignment and atomic-scale crystallographic orientation of monolayer graphene

DOE PAGES

Choi, Jin Sik; Chang, Young Jun; Woo, Sungjong; ...

2014-12-01

Deformation normal to the surface is intrinsic in two-dimensional materials due to phononic thermal fluctuations at finite temperatures. Graphene's negative thermal expansion coefficient is generally explained by such an intrinsic property. Recently, friction measurements on graphene exfoliated on a silicon oxide surface revealed an anomalous anisotropy whose origin was believed to be the formation of ripple domains. Here, we uncover the atomistic origin of the observed friction domains using a cantilever torsion microscopy in conjunction with angle-resolved photoemission spectroscopy. We experimentally demonstrate that ripples on graphene are formed along the zigzag direction of the hexagonal lattice. The formation of zigzagmore » directional ripple is consistent with our theoretical model that takes account of the atomic-scale bending stiffness of carbon-carbon bonds and the interaction of graphene with the substrate. Lastly, the correlation between micrometer-scale ripple alignment and atomic-scale arrangement of exfoliated monolayer graphene is first discovered and suggests a practical tool for measuring lattice orientation of graphene.« less

Correlation between micrometer-scale ripple alignment and atomic-scale crystallographic orientation of monolayer graphene.

PubMed

Choi, Jin Sik; Chang, Young Jun; Woo, Sungjong; Son, Young-Woo; Park, Yeonggu; Lee, Mi Jung; Byun, Ik-Su; Kim, Jin-Soo; Choi, Choon-Gi; Bostwick, Aaron; Rotenberg, Eli; Park, Bae Ho

2014-12-01

Deformation normal to the surface is intrinsic in two-dimensional materials due to phononic thermal fluctuations at finite temperatures. Graphene's negative thermal expansion coefficient is generally explained by such an intrinsic property. Recently, friction measurements on graphene exfoliated on a silicon oxide surface revealed an anomalous anisotropy whose origin was believed to be the formation of ripple domains. Here, we uncover the atomistic origin of the observed friction domains using a cantilever torsion microscopy in conjunction with angle-resolved photoemission spectroscopy. We experimentally demonstrate that ripples on graphene are formed along the zigzag direction of the hexagonal lattice. The formation of zigzag directional ripple is consistent with our theoretical model that takes account of the atomic-scale bending stiffness of carbon-carbon bonds and the interaction of graphene with the substrate. The correlation between micrometer-scale ripple alignment and atomic-scale arrangement of exfoliated monolayer graphene is first discovered and suggests a practical tool for measuring lattice orientation of graphene.

Development and Calibration of a System-Integrated Rotorcraft Finite Element Model for Impact Scenarios

NASA Technical Reports Server (NTRS)

Annett, Martin S.; Horta, Lucas G.; Jackson, Karen E.; Polanco, Michael A.; Littell, Justin D.

2012-01-01

Two full-scale crash tests of an MD-500 helicopter were conducted in 2009 and 2010 at NASA Langley's Landing and Impact Research Facility in support of NASA s Subsonic Rotary Wing Crashworthiness Project. The first crash test was conducted to evaluate the performance of an externally mounted composite deployable energy absorber (DEA) under combined impact conditions. In the second crash test, the energy absorber was removed to establish baseline loads that are regarded as severe but survivable. The presence of this energy absorbing device reduced the peak impact acceleration levels by a factor of three. Accelerations and kinematic data collected from the crash tests were compared to a system-integrated finite element model of the test article developed in parallel with the test program. In preparation for the full-scale crash test, a series of sub-scale and MD-500 mass simulator tests were conducted to evaluate the impact performances of various components and subsystems, including new crush tubes and the DEA blocks. Parameters defined for the system-integrated finite element model were determined from these tests. Results from 19 accelerometers placed throughout the airframe were compared to finite element model responses. The model developed for the purposes of predicting acceleration responses from the first crash test was inadequate when evaluating more severe conditions seen in the second crash test. A newly developed model calibration approach that includes uncertainty estimation, parameter sensitivity, impact shape orthogonality, and numerical optimization was used to calibrate model results for the full-scale crash test without the DEA. This combination of heuristic and quantitative methods identified modeling deficiencies, evaluated parameter importance, and proposed required model changes. The multidimensional calibration techniques presented here are particularly effective in identifying model adequacy. Acceleration results for the calibrated model were compared to test results and the original model results. There was a noticeable improvement in the pilot and copilot region, a slight improvement in the occupant model response, and an over-stiffening effect in the passenger region. One lesson learned was that this approach should be adopted early on, in combination with the building-block approaches that are customarily used, for model development and pretest predictions. Complete crash simulations with validated finite element models can be used to satisfy crash certification requirements, potentially reducing overall development costs.

Parallel goal-oriented adaptive finite element modeling for 3D electromagnetic exploration

NASA Astrophysics Data System (ADS)

Zhang, Y.; Key, K.; Ovall, J.; Holst, M.

2014-12-01

We present a parallel goal-oriented adaptive finite element method for accurate and efficient electromagnetic (EM) modeling of complex 3D structures. An unstructured tetrahedral mesh allows this approach to accommodate arbitrarily complex 3D conductivity variations and a priori known boundaries. The total electric field is approximated by the lowest order linear curl-conforming shape functions and the discretized finite element equations are solved by a sparse LU factorization. Accuracy of the finite element solution is achieved through adaptive mesh refinement that is performed iteratively until the solution converges to the desired accuracy tolerance. Refinement is guided by a goal-oriented error estimator that uses a dual-weighted residual method to optimize the mesh for accurate EM responses at the locations of the EM receivers. As a result, the mesh refinement is highly efficient since it only targets the elements where the inaccuracy of the solution corrupts the response at the possibly distant locations of the EM receivers. We compare the accuracy and efficiency of two approaches for estimating the primary residual error required at the core of this method: one uses local element and inter-element residuals and the other relies on solving a global residual system using a hierarchical basis. For computational efficiency our method follows the Bank-Holst algorithm for parallelization, where solutions are computed in subdomains of the original model. To resolve the load-balancing problem, this approach applies a spectral bisection method to divide the entire model into subdomains that have approximately equal error and the same number of receivers. The finite element solutions are then computed in parallel with each subdomain carrying out goal-oriented adaptive mesh refinement independently. We validate the newly developed algorithm by comparison with controlled-source EM solutions for 1D layered models and with 2D results from our earlier 2D goal oriented adaptive refinement code named MARE2DEM. We demonstrate the performance and parallel scaling of this algorithm on a medium-scale computing cluster with a marine controlled-source EM example that includes a 3D array of receivers located over a 3D model that includes significant seafloor bathymetry variations and a heterogeneous subsurface.

Measurement of the first ionization potential of lawrencium, element 103.

PubMed

Sato, T K; Asai, M; Borschevsky, A; Stora, T; Sato, N; Kaneya, Y; Tsukada, K; Düllmann, Ch E; Eberhardt, K; Eliav, E; Ichikawa, S; Kaldor, U; Kratz, J V; Miyashita, S; Nagame, Y; Ooe, K; Osa, A; Renisch, D; Runke, J; Schädel, M; Thörle-Pospiech, P; Toyoshima, A; Trautmann, N

2015-04-09

The chemical properties of an element are primarily governed by the configuration of electrons in the valence shell. Relativistic effects influence the electronic structure of heavy elements in the sixth row of the periodic table, and these effects increase dramatically in the seventh row--including the actinides--even affecting ground-state configurations. Atomic s and p1/2 orbitals are stabilized by relativistic effects, whereas p3/2, d and f orbitals are destabilized, so that ground-state configurations of heavy elements may differ from those of lighter elements in the same group. The first ionization potential (IP1) is a measure of the energy required to remove one valence electron from a neutral atom, and is an atomic property that reflects the outermost electronic configuration. Precise and accurate experimental determination of IP1 gives information on the binding energy of valence electrons, and also, therefore, on the degree of relativistic stabilization. However, such measurements are hampered by the difficulty in obtaining the heaviest elements on scales of more than one atom at a time. Here we report that the experimentally obtained IP1 of the heaviest actinide, lawrencium (Lr, atomic number 103), is 4.96(+0.08)(-0.07) electronvolts. The IP1 of Lr was measured with (256)Lr (half-life 27 seconds) using an efficient surface ion-source and a radioisotope detection system coupled to a mass separator. The measured IP1 is in excellent agreement with the value of 4.963(15) electronvolts predicted here by state-of-the-art relativistic calculations. The present work provides a reliable benchmark for theoretical calculations and also opens the way for IP1 measurements of superheavy elements (that is, transactinides) on an atom-at-a-time scale.

Probabilistic finite elements

NASA Technical Reports Server (NTRS)

Belytschko, Ted; Wing, Kam Liu

1987-01-01

In the Probabilistic Finite Element Method (PFEM), finite element methods have been efficiently combined with second-order perturbation techniques to provide an effective method for informing the designer of the range of response which is likely in a given problem. The designer must provide as input the statistical character of the input variables, such as yield strength, load magnitude, and Young's modulus, by specifying their mean values and their variances. The output then consists of the mean response and the variance in the response. Thus the designer is given a much broader picture of the predicted performance than with simply a single response curve. These methods are applicable to a wide class of problems, provided that the scale of randomness is not too large and the probabilistic density functions possess decaying tails. By incorporating the computational techniques we have developed in the past 3 years for efficiency, the probabilistic finite element methods are capable of handling large systems with many sources of uncertainties. Sample results for an elastic-plastic ten-bar structure and an elastic-plastic plane continuum with a circular hole subject to cyclic loadings with the yield stress on the random field are given.

A novel approach for extracting viscoelastic parameters of living cells through combination of inverse finite element simulation and Atomic Force Microscopy.

PubMed

Wei, Fanan; Yang, Haitao; Liu, Lianqing; Li, Guangyong

2017-03-01

Dynamic mechanical behaviour of living cells has been described by viscoelasticity. However, quantitation of the viscoelastic parameters for living cells is far from sophisticated. In this paper, combining inverse finite element (FE) simulation with Atomic Force Microscope characterization, we attempt to develop a new method to evaluate and acquire trustworthy viscoelastic index of living cells. First, influence of the experiment parameters on stress relaxation process is assessed using FE simulation. As suggested by the simulations, cell height has negligible impact on shape of the force-time curve, i.e. the characteristic relaxation time; and the effect originates from substrate can be totally eliminated when stiff substrate (Young's modulus larger than 3 GPa) is used. Then, so as to develop an effective optimization strategy for the inverse FE simulation, the parameters sensitivity evaluation is performed for Young's modulus, Poisson's ratio, and characteristic relaxation time. With the experiment data obtained through typical stress relaxation measurement, viscoelastic parameters are extracted through the inverse FE simulation by comparing the simulation results and experimental measurements. Finally, reliability of the acquired mechanical parameters is verified with different load experiments performed on the same cell.

Nanoindentation studies of full and empty viral capsids and the effects of capsid protein mutations on elasticity and strength

NASA Astrophysics Data System (ADS)

Michel, J. P.; Ivanovska, I. L.; Gibbons, M. M.; Klug, W. S.; Knobler, C. M.; Wuite, G. J. L.; Schmidt, C. F.

2006-04-01

The elastic properties of capsids of the cowpea chlorotic mottle virus have been examined at pH 4.8 by nanoindentation measurements with an atomic force microscope. Studies have been carried out on WT capsids, both empty and containing the RNA genome, and on full capsids of a salt-stable mutant and empty capsids of the subE mutant. Full capsids resisted indentation more than empty capsids, but all of the capsids were highly elastic. There was an initial reversible linear regime that persisted up to indentations varying between 20% and 30% of the diameter and applied forces of 0.6-1.0 nN; it was followed by a steep drop in force that is associated with irreversible deformation. A single point mutation in the capsid protein increased the capsid stiffness. The experiments are compared with calculations by finite element analysis of the deformation of a homogeneous elastic thick shell. These calculations capture the features of the reversible indentation region and allow Young's moduli and relative strengths to be estimated for the empty capsids. atomic force microscopy | cowpea chlorotic mottle virus | finite element analysis | biomechanics

Optimizing qPlus sensor assemblies for simultaneous scanning tunneling and noncontact atomic force microscopy operation based on finite element method analysis

DOE PAGES

Dagdeviren, Omur E.; Schwarz, Udo D.

2017-03-20

Quartz tuning forks that have a probe tip attached to the end of one of its prongs while the other prong is arrested to a holder (“qPlus” configuration) have gained considerable popularity in recent years for high-resolution atomic force microscopy imaging. The small size of the tuning forks and the complexity of the sensor architecture, however, often impede predictions on how variations in the execution of the individual assembly steps affect the performance of the completed sensor. Extending an earlier study that provided numerical analysis of qPlus-style setups without tips, this work quantifies the influence of tip attachment on themore » operational characteristics of the sensor. The results using finite element modeling show in particular that for setups that include a metallic tip that is connected via a separate wire to enable the simultaneous collection of local forces and tunneling currents, the exact realization of this wire connection has a major effect on sensor properties such as spring constant, quality factor, resonance frequency, and its deviation from an ideal vertical oscillation.« less

Optimizing qPlus sensor assemblies for simultaneous scanning tunneling and noncontact atomic force microscopy operation based on finite element method analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dagdeviren, Omur E.; Schwarz, Udo D.

Quartz tuning forks that have a probe tip attached to the end of one of its prongs while the other prong is arrested to a holder (“qPlus” configuration) have gained considerable popularity in recent years for high-resolution atomic force microscopy imaging. The small size of the tuning forks and the complexity of the sensor architecture, however, often impede predictions on how variations in the execution of the individual assembly steps affect the performance of the completed sensor. Extending an earlier study that provided numerical analysis of qPlus-style setups without tips, this work quantifies the influence of tip attachment on themore » operational characteristics of the sensor. The results using finite element modeling show in particular that for setups that include a metallic tip that is connected via a separate wire to enable the simultaneous collection of local forces and tunneling currents, the exact realization of this wire connection has a major effect on sensor properties such as spring constant, quality factor, resonance frequency, and its deviation from an ideal vertical oscillation.« less

A comparative study on dynamic stiffness in typical finite element model and multi-body model of C6-C7 cervical spine segment.

PubMed

Wang, Yawei; Wang, Lizhen; Du, Chengfei; Mo, Zhongjun; Fan, Yubo

2016-06-01

In contrast to numerous researches on static or quasi-static stiffness of cervical spine segments, very few investigations on their dynamic stiffness were published. Currently, scale factors and estimated coefficients were usually used in multi-body models for including viscoelastic properties and damping effects, meanwhile viscoelastic properties of some tissues were unavailable for establishing finite element models. Because dynamic stiffness of cervical spine segments in these models were difficult to validate because of lacking in experimental data, we tried to gain some insights on current modeling methods through studying dynamic stiffness differences between these models. A finite element model and a multi-body model of C6-C7 segment were developed through using available material data and typical modeling technologies. These two models were validated with quasi-static response data of the C6-C7 cervical spine segment. Dynamic stiffness differences were investigated through controlling motions of C6 vertebrae at different rates and then comparing their reaction forces or moments. Validation results showed that both the finite element model and the multi-body model could generate reasonable responses under quasi-static loads, but the finite element segment model exhibited more nonlinear characters. Dynamic response investigations indicated that dynamic stiffness of this finite element model might be underestimated because of the absence of dynamic stiffen effect and damping effects of annulus fibrous, while representation of these effects also need to be improved in current multi-body model. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Isotope-abundance variations of selected elements (IUPAC technical report)

USGS Publications Warehouse

Coplen, T.B.; Böhlke, J.K.; De Bievre, P.; Ding, T.; Holden, N.E.; Hopple, J.A.; Krouse, H.R.; Lamberty, A.; Peiser, H.S.; Revesz, K.; Rieder, S.E.; Rosman, K.J.R.; Roth, E.; Taylor, P.D.P.; Vocke, R.D.; Xiao, Y.K.

2002-01-01

Documented variations in the isotopic compositions of some chemical elements are responsible for expanded uncertainties in the standard atomic weights published by the Commission on Atomic Weights and Isotopic Abundances of the International Union of Pure and Applied Chemistry. This report summarizes reported variations in the isotopic compositions of 20 elements that are due to physical and chemical fractionation processes (not due to radioactive decay) and their effects on the standard atomic-weight uncertainties. For 11 of those elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, silicon, sulfur, chlorine, copper, and selenium), standard atomic-weight uncertainties have been assigned values that are substantially larger than analytical uncertainties because of common isotope-abundance variations in materials of natural terrestrial origin. For 2 elements (chromium and thallium), recently reported isotope-abundance variations potentially are large enough to result in future expansion of their atomic-weight uncertainties. For 7 elements (magnesium, calcium, iron, zinc, molybdenum, palladium, and tellurium), documented isotope variations in materials of natural terrestrial origin are too small to have a significant effect on their standard atomic-weight uncertainties. This compilation indicates the extent to which the atomic weight of an element in a given material may differ from the standard atomic weight of the element. For most elements given above, data are graphically illustrated by a diagram in which the materials are specified in the ordinate and the compositional ranges are plotted along the abscissa in scales of (1) atomic weight, (2) mole fraction of a selected isotope, and (3) delta value of a selected isotope ratio.

Enabling Quantitative Optical Imaging for In-die-capable Critical Dimension Targets

PubMed Central

Barnes, B.M.; Henn, M.-A.; Sohn, M. Y.; Zhou, H.; Silver, R. M.

2017-01-01

Dimensional scaling trends will eventually bring semiconductor critical dimensions (CDs) down to only a few atoms in width. New optical techniques are required to address the measurement and variability for these CDs using sufficiently small in-die metrology targets. Recently, Qin et al. [Light Sci Appl, 5, e16038 (2016)] demonstrated quantitative model-based measurements of finite sets of lines with features as small as 16 nm using 450 nm wavelength light. This paper uses simulation studies, augmented with experiments at 193 nm wavelength, to adapt and optimize the finite sets of features that work as in-die-capable metrology targets with minimal increases in parametric uncertainty. A finite element based solver for time-harmonic Maxwell's equations yields two- and three-dimensional simulations of the electromagnetic scattering for optimizing the design of such targets as functions of reduced line lengths, fewer number of lines, fewer focal positions, smaller critical dimensions, and shorter illumination wavelength. Metrology targets that exceeded performance requirements are as short as 3 μm for 193 nm light, feature as few as eight lines, and are extensible to sub-10 nm CDs. Target areas measured at 193 nm can be fifteen times smaller in area than current state-of-the-art scatterometry targets described in the literature. This new methodology is demonstrated to be a promising alternative for optical model-based in-die CD metrology. PMID:28757674

DOUAR: A new three-dimensional creeping flow numerical model for the solution of geological problems

NASA Astrophysics Data System (ADS)

Braun, Jean; Thieulot, Cédric; Fullsack, Philippe; DeKool, Marthijn; Beaumont, Christopher; Huismans, Ritske

2008-12-01

We present a new finite element code for the solution of the Stokes and energy (or heat transport) equations that has been purposely designed to address crustal-scale to mantle-scale flow problems in three dimensions. Although it is based on an Eulerian description of deformation and flow, the code, which we named DOUAR ('Earth' in Breton language), has the ability to track interfaces and, in particular, the free surface, by using a dual representation based on a set of particles placed on the interface and the computation of a level set function on the nodes of the finite element grid, thus ensuring accuracy and efficiency. The code also makes use of a new method to compute the dynamic Delaunay triangulation connecting the particles based on non-Euclidian, curvilinear measure of distance, ensuring that the density of particles remains uniform and/or dynamically adapted to the curvature of the interface. The finite element discretization is based on a non-uniform, yet regular octree division of space within a unit cube that allows efficient adaptation of the finite element discretization, i.e. in regions of strong velocity gradient or high interface curvature. The finite elements are cubes (the leaves of the octree) in which a q1- p0 interpolation scheme is used. Nodal incompatibilities across faces separating elements of differing size are dealt with by introducing linear constraints among nodal degrees of freedom. Discontinuities in material properties across the interfaces are accommodated by the use of a novel method (which we called divFEM) to integrate the finite element equations in which the elemental volume is divided by a local octree to an appropriate depth (resolution). A variety of rheologies have been implemented including linear, non-linear and thermally activated creep and brittle (or plastic) frictional deformation. A simple smoothing operator has been defined to avoid checkerboard oscillations in pressure that tend to develop when using a highly irregular octree discretization and the tri-linear (or q1- p0) finite element. A three-dimensional cloud of particles is used to track material properties that depend on the integrated history of deformation (the integrated strain, for example); its density is variable and dynamically adapted to the computed flow. The large system of algebraic equations that results from the finite element discretization and linearization of the basic partial differential equations is solved using a multi-frontal massively parallel direct solver that can efficiently factorize poorly conditioned systems resulting from the highly non-linear rheology and the presence of the free surface. The code is almost entirely parallelized. We present example results including the onset of a Rayleigh-Taylor instability, the indentation of a rigid-plastic material and the formation of a fold beneath a free eroding surface, that demonstrate the accuracy, efficiency and appropriateness of the new code to solve complex geodynamical problems in three dimensions.

Effects of Subscale Size and Shape on Global Energy Dissipation in a Multiscale Model of a Fiber-Reinforced Composite Exhibiting Post-Peak Strain Softening Using Abaqus and FEAMAC

NASA Technical Reports Server (NTRS)

Pineda, Evan, J.; Bednarcyk, Brett, A.; Arnold, Steven, M.

2012-01-01

A mesh objective crack band model is implemented in the generalized method of cells (GMC) micromechanics model to predict failure of a composite repeating unit cell (RUC). The micromechanics calculations are achieved using the MAC/GMC core engine within the ImMAC suite of micromechanics codes, developed at the NASA Glenn Research Center. The microscale RUC is linked to a macroscale Abaqus/Standard finite element model using the FEAMAC multiscale framework (included in the ImMAC suite). The effects of the relationship between the characteristic length of the finite element and the size of the microscale RUC on the total energy dissipation of the multiscale model are investigated. A simple 2-D composite square subjected to uniaxial tension is used to demonstrate the effects of scaling the dimensions of the RUC such that the length of the sides of the RUC are equal to the characteristic length of the finite element. These results are compared to simulations where the size of the RUC is fixed, independent of the element size. Simulations are carried out for a variety of mesh densities and element shapes, including square and triangular. Results indicate that a consistent size and shape must be used to yield preserve energy dissipation across the scales.

A Dual Super-Element Domain Decomposition Approach for Parallel Nonlinear Finite Element Analysis

NASA Astrophysics Data System (ADS)

Jokhio, G. A.; Izzuddin, B. A.

2015-05-01

This article presents a new domain decomposition method for nonlinear finite element analysis introducing the concept of dual partition super-elements. The method extends ideas from the displacement frame method and is ideally suited for parallel nonlinear static/dynamic analysis of structural systems. In the new method, domain decomposition is realized by replacing one or more subdomains in a "parent system," each with a placeholder super-element, where the subdomains are processed separately as "child partitions," each wrapped by a dual super-element along the partition boundary. The analysis of the overall system, including the satisfaction of equilibrium and compatibility at all partition boundaries, is realized through direct communication between all pairs of placeholder and dual super-elements. The proposed method has particular advantages for matrix solution methods based on the frontal scheme, and can be readily implemented for existing finite element analysis programs to achieve parallelization on distributed memory systems with minimal intervention, thus overcoming memory bottlenecks typically faced in the analysis of large-scale problems. Several examples are presented in this article which demonstrate the computational benefits of the proposed parallel domain decomposition approach and its applicability to the nonlinear structural analysis of realistic structural systems.

Finite element analysis and genetic algorithm optimization design for the actuator placement on a large adaptive structure

NASA Astrophysics Data System (ADS)

Sheng, Lizeng

The dissertation focuses on one of the major research needs in the area of adaptive/intelligent/smart structures, the development and application of finite element analysis and genetic algorithms for optimal design of large-scale adaptive structures. We first review some basic concepts in finite element method and genetic algorithms, along with the research on smart structures. Then we propose a solution methodology for solving a critical problem in the design of a next generation of large-scale adaptive structures---optimal placements of a large number of actuators to control thermal deformations. After briefly reviewing the three most frequently used general approaches to derive a finite element formulation, the dissertation presents techniques associated with general shell finite element analysis using flat triangular laminated composite elements. The element used here has three nodes and eighteen degrees of freedom and is obtained by combining a triangular membrane element and a triangular plate bending element. The element includes the coupling effect between membrane deformation and bending deformation. The membrane element is derived from the linear strain triangular element using Cook's transformation. The discrete Kirchhoff triangular (DKT) element is used as the plate bending element. For completeness, a complete derivation of the DKT is presented. Geometrically nonlinear finite element formulation is derived for the analysis of adaptive structures under the combined thermal and electrical loads. Next, we solve the optimization problems of placing a large number of piezoelectric actuators to control thermal distortions in a large mirror in the presence of four different thermal loads. We then extend this to a multi-objective optimization problem of determining only one set of piezoelectric actuator locations that can be used to control the deformation in the same mirror under the action of any one of the four thermal loads. A series of genetic algorithms, GA Version 1, 2 and 3, were developed to find the optimal locations of piezoelectric actuators from the order of 1021 ˜ 1056 candidate placements. Introducing a variable population approach, we improve the flexibility of selection operation in genetic algorithms. Incorporating mutation and hill climbing into micro-genetic algorithms, we are able to develop a more efficient genetic algorithm. Through extensive numerical experiments, we find that the design search space for the optimal placements of a large number of actuators is highly multi-modal and that the most distinct nature of genetic algorithms is their robustness. They give results that are random but with only a slight variability. The genetic algorithms can be used to get adequate solution using a limited number of evaluations. To get the highest quality solution, multiple runs including different random seed generators are necessary. The investigation time can be significantly reduced using a very coarse grain parallel computing. Overall, the methodology of using finite element analysis and genetic algorithm optimization provides a robust solution approach for the challenging problem of optimal placements of a large number of actuators in the design of next generation of adaptive structures.

Telescoping Mechanics: A New Paradigm for Composite Behavior Simulation

NASA Technical Reports Server (NTRS)

Chamis, C. C.; Murthy, P. L. N.; Gotsis, P. K.; Mital. S. K.

2004-01-01

This report reviews the application of telescoping mechanics to composites using recursive laminate theory. The elemental scale is the fiber-matrix slice, the behavior of which propagates to laminate. The results from using applications for typical, hybrid, and smart composites and composite-enhanced reinforced concrete structures illustrate the versatility and generality of telescoping scale mechanics. Comparisons with approximate, single-cell, and two- and three-dimensional finite-element methods demonstrate the accuracy and computational effectiveness of telescoping scale mechanics for predicting complex composite behavior.

Elemental Anisotropic Growth and Atomic-Scale Structure of Shape-Controlled Octahedral Pt-Ni-Co Alloy Nanocatalysts.

PubMed

Arán-Ais, Rosa M; Dionigi, Fabio; Merzdorf, Thomas; Gocyla, Martin; Heggen, Marc; Dunin-Borkowski, Rafal E; Gliech, Manuel; Solla-Gullón, José; Herrero, Enrique; Feliu, Juan M; Strasser, Peter

2015-11-11

Multimetallic shape-controlled nanoparticles offer great opportunities to tune the activity, selectivity, and stability of electrocatalytic surface reactions. However, in many cases, our synthetic control over particle size, composition, and shape is limited requiring trial and error. Deeper atomic-scale insight in the particle formation process would enable more rational syntheses. Here we exemplify this using a family of trimetallic PtNiCo nanooctahedra obtained via a low-temperature, surfactant-free solvothermal synthesis. We analyze the competition between Ni and Co precursors under coreduction "one-step" conditions when the Ni reduction rates prevailed. To tune the Co reduction rate and final content, we develop a "two-step" route and track the evolution of the composition and morphology of the particles at the atomic scale. To achieve this, scanning transmission electron microscopy and energy dispersive X-ray elemental mapping techniques are used. We provide evidence of a heterogeneous element distribution caused by element-specific anisotropic growth and create octahedral nanoparticles with tailored atomic composition like Pt1.5M, PtM, and PtM1.5 (M = Ni + Co). These trimetallic electrocatalysts have been tested toward the oxygen reduction reaction (ORR), showing a greatly enhanced mass activity related to commercial Pt/C and less activity loss than binary PtNi and PtCo after 4000 potential cycles.

Understanding Atom Probe Tomography of Oxide-Supported Metal Nanoparticles by Correlation with Atomic-Resolution Electron Microscopy and Field Evaporation Simulation.

PubMed

Devaraj, Arun; Colby, Robert; Vurpillot, François; Thevuthasan, Suntharampillai

2014-04-17

Oxide-supported metal nanoparticles are widely used in heterogeneous catalysis. The increasingly detailed design of such catalysts necessitates three-dimensional characterization with high spatial resolution and elemental selectivity. Laser-assisted atom probe tomography (APT) is uniquely suited to the task but faces challenges with the evaporation of metal/insulator systems. Correlation of APT with aberration-corrected scanning transmission electron microscopy (STEM), for Au nanoparticles embedded in MgO, reveals preferential evaporation of the MgO and an inaccurate assessment of nanoparticle composition. Finite element field evaporation modeling is used to illustrate the evolution of the evaporation front. Nanoparticle composition is most accurately predicted when the MgO is treated as having a locally variable evaporation field, indicating the importance of considering laser-oxide interactions and the evaporation of various molecular oxide ions. These results demonstrate the viability of APT for analysis of oxide-supported metal nanoparticles, highlighting the need for developing a theoretical framework for the evaporation of heterogeneous materials.

A robust, finite element model for hydrostatic surface water flows

USGS Publications Warehouse

Walters, R.A.; Casulli, V.

1998-01-01

A finite element scheme is introduced for the 2-dimensional shallow water equations using semi-implicit methods in time. A semi-Lagrangian method is used to approximate the effects of advection. A wave equation is formed at the discrete level such that the equations decouple into an equation for surface elevation and a momentum equation for the horizontal velocity. The convergence rates and relative computational efficiency are examined with the use of three test cases representing various degrees of difficulty. A test with a polar-quadrant grid investigates the response to local grid-scale forcing and the presence of spurious modes, a channel test case establishes convergence rates, and a field-scale test case examines problems with highly irregular grids.A finite element scheme is introduced for the 2-dimensional shallow water equations using semi-implicit methods in time. A semi-Lagrangian method is used to approximate the effects of advection. A wave equation is formed at the discrete level such that the equations decouple into an equation for surface elevation and a momentum equation for the horizontal velocity. The convergence rates and relative computational efficiency are examined with the use of three test cases representing various degrees of difficulty. A test with a polar-quadrant grid investigates the response to local grid-scale forcing and the presence of spurious modes, a channel test case establishes convergence rates, and a field-scale test case examines problems with highly irregular grids.

Linear and Nonlinear Finite Elements.

DTIC Science & Technology

1983-12-01

Metzler. Con/ ugte rapdent solution of a finite element elastic problem with high Poson rato without scaling and once with the global stiffness matrix K...nonzero c, that makes u(0) = 1. According to the linear, small deflection theory of the membrane the central displacement given to the membrane is not... theory is possible based on the approximations (l-y 2 )t = +y’ 2 +y𔃾 , (1-y𔃼)’ 1-y’ 2 - y" (6) that change eq. (5) to V𔃺) = , [yŖ(1 + y") - Qy𔃼

Pretest predictions for the response of a 1:8-scale steel LWR containment building model to static overpressurization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clauss, D.B.

The analyses used to predict the behavior of a 1:8-scale model of a steel LWR containment building to static overpressurization are described and results are presented. Finite strain, large displacement, and nonlinear material properties were accounted for using finite element methods. Three-dimensional models were needed to analyze the penetrations, which included operable equipment hatches, personnel lock representations, and a constrained pipe. It was concluded that the scale model would fail due to leakage caused by large deformations of the equipment hatch sleeves. 13 refs., 34 figs., 1 tab.

Elemental Identification by Combining Atomic Force Microscopy and Kelvin Probe Force Microscopy.

PubMed

Schulz, Fabian; Ritala, Juha; Krejčí, Ondrej; Seitsonen, Ari Paavo; Foster, Adam S; Liljeroth, Peter

2018-06-01

There are currently no experimental techniques that combine atomic-resolution imaging with elemental sensitivity and chemical fingerprinting on single molecules. The advent of using molecular-modified tips in noncontact atomic force microscopy (nc-AFM) has made it possible to image (planar) molecules with atomic resolution. However, the mechanisms responsible for elemental contrast with passivated tips are not fully understood. Here, we investigate elemental contrast by carrying out both nc-AFM and Kelvin probe force microscopy (KPFM) experiments on epitaxial monolayer hexagonal boron nitride (hBN) on Ir(111). The hBN overlayer is inert, and the in-plane bonds connecting nearest-neighbor boron and nitrogen atoms possess strong covalent character and a bond length of only ∼1.45 Å. Nevertheless, constant-height maps of both the frequency shift Δ f and the local contact potential difference exhibit striking sublattice asymmetry. We match the different atomic sites with the observed contrast by comparison with nc-AFM image simulations based on the density functional theory optimized hBN/Ir(111) geometry, which yields detailed information on the origin of the atomic-scale contrast.

Large-scale computation of incompressible viscous flow by least-squares finite element method

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Lin, T. L.; Povinelli, Louis A.

1993-01-01

The least-squares finite element method (LSFEM) based on the velocity-pressure-vorticity formulation is applied to large-scale/three-dimensional steady incompressible Navier-Stokes problems. This method can accommodate equal-order interpolations and results in symmetric, positive definite algebraic system which can be solved effectively by simple iterative methods. The first-order velocity-Bernoulli function-vorticity formulation for incompressible viscous flows is also tested. For three-dimensional cases, an additional compatibility equation, i.e., the divergence of the vorticity vector should be zero, is included to make the first-order system elliptic. The simple substitution of the Newton's method is employed to linearize the partial differential equations, the LSFEM is used to obtain discretized equations, and the system of algebraic equations is solved using the Jacobi preconditioned conjugate gradient method which avoids formation of either element or global matrices (matrix-free) to achieve high efficiency. To show the validity of this scheme for large-scale computation, we give numerical results for 2D driven cavity problem at Re = 10000 with 408 x 400 bilinear elements. The flow in a 3D cavity is calculated at Re = 100, 400, and 1,000 with 50 x 50 x 50 trilinear elements. The Taylor-Goertler-like vortices are observed for Re = 1,000.

Mechanical characterization of metallic nanowires by using a customized atomic microscope

NASA Astrophysics Data System (ADS)

Celik, Emrah

A new experimental method to characterize the mechanical properties of metallic nanowires is introduced. An accurate and fast mechanical characterization of nanowires requires simultaneous imaging and testing of nanowires. However, there exists no practical experimental procedure in the literature that provides a quantitative mechanical analysis and imaging of the nanowire specimens during mechanical testing. In this study, a customized atomic force microscope (AFM) is placed inside a scanning electron microscope (SEM) in order to locate the position of the nanowires. The tip of the atomic force microscope cantilever is utilized to bend and break the nanowires. The nanowires are prepared by electroplating of nickel ions into the nanoscale pores of the alumina membranes. Force versus bending displacement responses of these nanowires are measured experimentally and then compared against those of the finite element analysis and peridynamic simulations to extract their mechanical properties through an inverse approach. The average elastic modulus of nickel nanowires, which are extracted using finite element analysis and peridynamic simulations, varies between 220 GPa and 225 GPa. The elastic modulus of bulk nickel published in the literature is comparable to that of nickel nanowires. This observation agrees well with the previous findings on nanowires stating that the elastic modulus of nanowires with diameters over 100nm is similar to that of bulk counterparts. The average yield stress of nickel nanowires, which are extracted using finite element analysis and peridynamic simulations, is found to be between 3.6 GPa to 4.1 GPa. The average value of yield stress of nickel nanowires with 250nm diameter is significantly higher than that of bulk nickel. Higher yield stress of nickel nanowires observed in this study can be explained by the lower defect density of nickel nanowires when compared to their bulk counterparts. Deviation in the extracted mechanical properties is investigated by analyzing the major sources of uncertainty in the experimental procedure. The effects of the nanowire orientation, the loading position and the nanowire diameter on the mechanical test results are quantified using ANSYS simulations. Among all of these three sources of uncertainty investigated, the nanowire diameter has been found to have the most significant effect on the extracted mechanical properties.

Time evolution of two holes in t - J chains with anisotropic couplings

NASA Astrophysics Data System (ADS)

Manmana, Salvatore R.; Thyen, Holger; Köhler, Thomas; Kramer, Stephan C.

Using time-dependent Matrix Product State (MPS) methods we study the real-time evolution of hole-excitations in t-J chains close to filling n = 1 . The dynamics in 'standard' t - J chains with SU(2) invariant spin couplings is compared to the one when introducing anisotropic, XXZ-type spin interactions as realizable, e.g., by ultracold polar molecules on optical lattices. The simulations are performed with MPS implementations based on the usual singular value decompositions (SVD) as well as ones using the adaptive cross approximation (ACA) instead. The ACA can be seen as an iterative approach to SVD which is often used, e.g., in the context of finite-element-methods, leading to a substantial speedup. A comparison of the performance of both algorithms in the MPS context is discussed. Financial support via DFG through CRC 1073 (''Atomic scale control of energy conversion''), project B03 is gratefully acknowledged.

Utility of reactively sputtered CuN{sub x} films in spintronics devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fang Yeyu; Persson, J.; NanOsc AB, Electrum 205, 164 40 Kista

2012-04-01

We have studied nitrified copper (CuN{sub x}) thin films grown by reactive sputtering in the context of spintronic devices. The Ar-to-N{sub 2} flow ratio enables tunability of the electrical resistivity and surface roughness of the CuN{sub x} films, with the former increasing to nearly 20 times that of Cu, and the latter reduced to the atomic scale. Incorporating this into a Ta/CuN{sub x}/Ta seed stack for spin valves improves the current-in-plane (CIP) magnetoresistance; maximum magnetoresistance results with CuN{sub x} seed layer and Cu interlayer. Finally, finite element modeling results are presented that suggest the use of CuN{sub x} in nanocontactmore » spin torque oscillators can enhance current densities by limiting the current spread through the device. This may positively impact threshold currents, power requirements, and device reliability.« less

Acoustic buffeting by infrasound in a low vibration facility.

PubMed

MacLeod, B P; Hoffman, J E; Burke, S A; Bonn, D A

2016-09-01

Measurement instruments and fabrication tools with spatial resolution on the atomic scale require facilities that mitigate the impact of vibration sources in the environment. One approach to protection from vibration in a building's foundation is to place the instrument on a massive inertia block, supported on pneumatic isolators. This opens the questions of whether or not a massive floating block is susceptible to acoustic forces, and how to mitigate the effects of any such acoustic buffeting. Here this is investigated with quantitative measurements of vibrations and sound pressure, together with finite element modeling. It is shown that a particular concern, even in a facility with multiple acoustic enclosures, is the excitation of the lowest fundamental acoustic modes of the room by infrasound in the low tens of Hz range, and the efficient coupling of the fundamental room modes to a large inertia block centered in the room.

Design feasibility study of a divertor component reinforced with fibrous metal matrix composite laminate

NASA Astrophysics Data System (ADS)

You, Jeong-Ha

2005-01-01

Fibrous metal matrix composites possess advanced mechanical properties compared to conventional alloys. It is expected that the application of these composites to a divertor component will enhance the structural reliability. A possible design concept would be a system consisting of tungsten armour, copper composite interlayer and copper heat sink where the composite interlayer is locally inserted into the highly stressed domain near the bond interface. For assessment of the design feasibility of the composite divertor concept, a non-linear multi-scale finite element analysis was performed. To this end, a micro-mechanics algorithm was implemented into a finite element code. A reactor-relevant heat flux load was assumed. Focus was placed on the evolution of stress state, plastic deformation and ductile damage on both macro- and microscopic scales. The structural response of the component and the micro-scale stress evolution of the composite laminate were investigated.

Computational Study of Electron-Molecule Collisions Related to Low-Temperature Plasmas.

NASA Astrophysics Data System (ADS)

Huo, Winifred M.

1997-10-01

Computational study of electron-molecule collisions not only complements experimental measurements, but can also be used to investigate processes not readily accessible experimentally. A number of ab initio computational methods are available for this type of calculations. Here we describe a recently developed technique, the finite element Z-matrix method. Analogous to the R-matrix method, it partitions the space into regions and employs real matrix elements. However, unlike the implementation of the R-matrix method commonly used in atomic and molecular physics,(C. J. Gillan, J. Tennyson, and P. G. Burke, Chapter 10 in Computational Methods for Electron-Molecule Collisions), W. M. Huo and F. A. Gianturco, Editors, Plenum, New York (1995), p. 239. the Z-matrix method is fully variational.(D. Brown and J. C. Light, J. Chem. Phys. 101), 3723 (1994). In the present implementation, a mixed basis of finite elements and Gaussians is used to represent the continuum electron, thus offering full flexibility without imposing fixed boundary conditions. Numerical examples include the electron-impact dissociation of N2 via the metastable A^3Σ_u^+ state, a process which may be important in the lower thermosphere, and the dissociation of the CF radical, a process of interest to plasma etching. To understand the dissociation pathways, large scale quantum chemical calculations have been carried out for all target states which dissociate to the lowest five limits in the case of N_2, and to the lowest two limits in the case of CF. For N_2, the structural calculations clearly show the preference for predissociation if the initial state is the ground X^1Σ_g^+ state, but direct dissociation appears to be preferable if the initial state is the A^3Σ_u^+ state. Multi-configuration SCF target functions are used in the collisional calculation,

Transverse Tensile Properties of 3 Dimension-4 Directional Braided Cf/SiC Composite Based on Double-Scale Model

NASA Astrophysics Data System (ADS)

Niu, Xuming; Sun, Zhigang; Song, Yingdong

2017-11-01

In this thesis, a double-scale model for 3 Dimension-4 directional(3D-4d) braided C/SiC composites(CMCs) has been proposed to investigate mechanical properties of it. The double-scale model involves micro-scale which takes fiber/matrix/porosity in fibers tows into consideration and the unit cell scale which considers the 3D-4d braiding structure. Basing on the Micro-optical photographs of composite, we can build a parameterized finite element model that reflects structure of 3D-4d braided composites. The mechanical properties of fiber tows in transverse direction are studied by combining the crack band theory for matrix cracking and cohesive zone model for interface debonding. Transverse tensile process of 3D-4d CMCs can be simulated by introducing mechanical properties of fiber tows into finite element of 3D-4d braided CMCs. Quasi-static tensile tests of 3D-4d braided CMCs have been performed with PWS-100 test system. The predicted tensile stress-strain curve by the double scale model finds good agreement with the experimental results.

3D Finite Element Analysis of Yixing CFRD Built on Inclined Mountain Slope

NASA Astrophysics Data System (ADS)

Sun, Da Wei; Zhang, Liang; Qing Yao, Hui; Wang, Kang Ping

2018-05-01

There are few CFRDs built on steep slope with dam height more than 50 m. So does the relative design and construction experience. The 75 m-high Yixing CFRD was built on steep mountain slope and the 45.9m-high gravity retaining wall was used to against dam sliding. Since the excessive deformation of dam body and perimetric joints would lead to failure of seal materials and cause water leakage, 3D nonlinear finite element stress-deformation analysis was carried out. 3D finite element mesh with 63875 elements including retaining wall and surrounding mountain was established by use of advanced grid discreteness technique. Large scales of equations solving method were adopted in the computer procedure and the calculation time was greatly reduced from former 40 hours to now 45 minutes. Therefore the behavior of the dam, retaining wall and the joint was obtained in a short time, and the results would be helpful to the design and construction of Yixing dam.

Meso-Scale Finite Element Analysis of Mechanical Behavior of 3D Braided Composites Subjected to Biaxial Tension Loadings

NASA Astrophysics Data System (ADS)

Zhang, Chao; Curiel-Sosa, Jose L.; Bui, Tinh Quoc

2018-04-01

In many engineering applications, 3D braided composites are designed for primary loading-bearing structures, and they are frequently subjected to multi-axial loading conditions during service. In this paper, a unit-cell based finite element model is developed for assessment of mechanical behavior of 3D braided composites under different biaxial tension loadings. To predict the damage initiation and evolution of braiding yarns and matrix in the unit-cell, we thus propose an anisotropic damage model based on Murakami damage theory in conjunction with Hashin failure criteria and maximum stress criteria. To attain exact stress ratio, force loading mode of periodic boundary conditions which never been attempted before is first executed to the unit-cell model to apply the biaxial tension loadings. The biaxial mechanical behaviors, such as the stress distribution, tensile modulus and tensile strength are analyzed and discussed. The damage development of 3D braided composites under typical biaxial tension loadings is simulated and the damage mechanisms are revealed in the simulation process. The present study generally provides a new reference to the meso-scale finite element analysis (FEA) of multi-axial mechanical behavior of other textile composites.

Efficient evaluation of the Coulomb force in the Gaussian and finite-element Coulomb method.

PubMed

Kurashige, Yuki; Nakajima, Takahito; Sato, Takeshi; Hirao, Kimihiko

2010-06-28

We propose an efficient method for evaluating the Coulomb force in the Gaussian and finite-element Coulomb (GFC) method, which is a linear-scaling approach for evaluating the Coulomb matrix and energy in large molecular systems. The efficient evaluation of the analytical gradient in the GFC is not straightforward as well as the evaluation of the energy because the SCF procedure with the Coulomb matrix does not give a variational solution for the Coulomb energy. Thus, an efficient approximate method is alternatively proposed, in which the Coulomb potential is expanded in the Gaussian and finite-element auxiliary functions as done in the GFC. To minimize the error in the gradient not just in the energy, the derived functions of the original auxiliary functions of the GFC are used additionally for the evaluation of the Coulomb gradient. In fact, the use of the derived functions significantly improves the accuracy of this approach. Although these additional auxiliary functions enlarge the size of the discretized Poisson equation and thereby increase the computational cost, it maintains the near linear scaling as the GFC and does not affects the overall efficiency of the GFC approach.

FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

NASA Astrophysics Data System (ADS)

Regnier, D.; Dubray, N.; Verrière, M.; Schunck, N.

2018-04-01

The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in a multi-dimensional collective space. In this paper, we present the version 2.0 of the code FELIX that solves the collective Schrödinger equation in a finite element basis. This new version features: (i) the ability to solve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) support for new kinds of finite elements and different types of quadrature to compute the discretized Hamiltonian and overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylov approximation of the time propagator for time integration instead of the implicit Crank-Nicolson method implemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on an analytic problem as well as on realistic two-dimensional calculations of the low-energy fission of 240Pu and 256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplex elements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectral element method with a degree 4 polynomial basis. We emphasize that in a realistic calculation of fission mass distributions of 240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numerical precision of a few percents).

Creating physically-based three-dimensional microstructures: Bridging phase-field and crystal plasticity models.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lim, Hojun; Owen, Steven J.; Abdeljawad, Fadi F.

In order to better incorporate microstructures in continuum scale models, we use a novel finite element (FE) meshing technique to generate three-dimensional polycrystalline aggregates from a phase field grain growth model of grain microstructures. The proposed meshing technique creates hexahedral FE meshes that capture smooth interfaces between adjacent grains. Three dimensional realizations of grain microstructures from the phase field model are used in crystal plasticity-finite element (CP-FE) simulations of polycrystalline a -iron. We show that the interface conformal meshes significantly reduce artificial stress localizations in voxelated meshes that exhibit the so-called "wedding cake" interfaces. This framework provides a direct linkmore » between two mesoscale models - phase field and crystal plasticity - and for the first time allows mechanics simulations of polycrystalline materials using three-dimensional hexahedral finite element meshes with realistic topological features.« less

First-Order System Least-Squares for Second-Order Elliptic Problems with Discontinuous Coefficients

NASA Technical Reports Server (NTRS)

Manteuffel, Thomas A.; McCormick, Stephen F.; Starke, Gerhard

1996-01-01

The first-order system least-squares methodology represents an alternative to standard mixed finite element methods. Among its advantages is the fact that the finite element spaces approximating the pressure and flux variables are not restricted by the inf-sup condition and that the least-squares functional itself serves as an appropriate error measure. This paper studies the first-order system least-squares approach for scalar second-order elliptic boundary value problems with discontinuous coefficients. Ellipticity of an appropriately scaled least-squares bilinear form of the size of the jumps in the coefficients leading to adequate finite element approximation results. The occurrence of singularities at interface corners and cross-points is discussed. and a weighted least-squares functional is introduced to handle such cases. Numerical experiments are presented for two test problems to illustrate the performance of this approach.

Generation of segmental chips in metal cutting modeled with the PFEM

NASA Astrophysics Data System (ADS)

Rodriguez Prieto, J. M.; Carbonell, J. M.; Cante, J. C.; Oliver, J.; Jonsén, P.

2018-06-01

The Particle Finite Element Method, a lagrangian finite element method based on a continuous Delaunay re-triangulation of the domain, is used to study machining of Ti6Al4V. In this work the method is revised and applied to study the influence of the cutting speed on the cutting force and the chip formation process. A parametric methodology for the detection and treatment of the rigid tool contact is presented. The adaptive insertion and removal of particles are developed and employed in order to sidestep the difficulties associated with mesh distortion, shear localization as well as for resolving the fine-scale features of the solution. The performance of PFEM is studied with a set of different two-dimensional orthogonal cutting tests. It is shown that, despite its Lagrangian nature, the proposed combined finite element-particle method is well suited for large deformation metal cutting problems with continuous chip and serrated chip formation.

Generation of segmental chips in metal cutting modeled with the PFEM

NASA Astrophysics Data System (ADS)

Rodriguez Prieto, J. M.; Carbonell, J. M.; Cante, J. C.; Oliver, J.; Jonsén, P.

2017-09-01

The Particle Finite Element Method, a lagrangian finite element method based on a continuous Delaunay re-triangulation of the domain, is used to study machining of Ti6Al4V. In this work the method is revised and applied to study the influence of the cutting speed on the cutting force and the chip formation process. A parametric methodology for the detection and treatment of the rigid tool contact is presented. The adaptive insertion and removal of particles are developed and employed in order to sidestep the difficulties associated with mesh distortion, shear localization as well as for resolving the fine-scale features of the solution. The performance of PFEM is studied with a set of different two-dimensional orthogonal cutting tests. It is shown that, despite its Lagrangian nature, the proposed combined finite element-particle method is well suited for large deformation metal cutting problems with continuous chip and serrated chip formation.

The Effect of Scale Dependent Discretization on the Progressive Failure of Composite Materials Using Multiscale Analyses

NASA Technical Reports Server (NTRS)

Ricks, Trenton M.; Lacy, Thomas E., Jr.; Pineda, Evan J.; Bednarcyk, Brett A.; Arnold, Steven M.

2013-01-01

A multiscale modeling methodology, which incorporates a statistical distribution of fiber strengths into coupled micromechanics/ finite element analyses, is applied to unidirectional polymer matrix composites (PMCs) to analyze the effect of mesh discretization both at the micro- and macroscales on the predicted ultimate tensile (UTS) strength and failure behavior. The NASA code FEAMAC and the ABAQUS finite element solver were used to analyze the progressive failure of a PMC tensile specimen that initiates at the repeating unit cell (RUC) level. Three different finite element mesh densities were employed and each coupled with an appropriate RUC. Multiple simulations were performed in order to assess the effect of a statistical distribution of fiber strengths on the bulk composite failure and predicted strength. The coupled effects of both the micro- and macroscale discretizations were found to have a noticeable effect on the predicted UTS and computational efficiency of the simulations.

Novel numerical techniques for magma dynamics

NASA Astrophysics Data System (ADS)

Rhebergen, S.; Katz, R. F.; Wathen, A.; Alisic, L.; Rudge, J. F.; Wells, G.

2013-12-01

We discuss the development of finite element techniques and solvers for magma dynamics computations. These are implemented within the FEniCS framework. This approach allows for user-friendly, expressive, high-level code development, but also provides access to powerful, scalable numerical solvers and a large family of finite element discretisations. With the recent addition of dolfin-adjoint, FeniCS supports automated adjoint and tangent-linear models, enabling the rapid development of Generalised Stability Analysis. The ability to easily scale codes to three dimensions with large meshes, and/or to apply intricate adjoint calculations means that efficiency of the numerical algorithms is vital. We therefore describe our development and analysis of preconditioners designed specifically for finite element discretizations of equations governing magma dynamics. The preconditioners are based on Elman-Silvester-Wathen methods for the Stokes equation, and we extend these to flows with compaction. Our simulations are validated by comparison of results with laboratory experiments on partially molten aggregates.

A new technique for simulating composite material

NASA Technical Reports Server (NTRS)

Volakis, John L.

1991-01-01

This project dealt with the development on new methodologies and algorithms for the multi-spectrum electromagnetic characterization of large scale nonmetallic airborne vehicles and structures. A robust, low memory, and accurate methodology was developed which is particularly suited for modern machine architectures. This is a hybrid finite element method that combines two well known numerical solution approaches. That of the finite element method for modeling volumes and the boundary integral method which yields exact boundary conditions for terminating the finite element mesh. In addition, a variety of high frequency results were generated (such as diffraction coefficients for impedance surfaces and material layers) and a class of boundary conditions were developed which hold promise for more efficient simulations. During the course of this project, nearly 25 detailed research reports were generated along with an equal number of journal papers. The reports, papers, and journal articles are listed in the appendices along with their abstracts.

Nanoscale viscoelasticity of extracellular matrix proteins in soft tissues: A multiscale approach.

PubMed

Miri, Amir K; Heris, Hossein K; Mongeau, Luc; Javid, Farhad

2014-02-01

It is hypothesized that the bulk viscoelasticity of soft tissues is determined by two length-scale-dependent mechanisms: the time-dependent response of the extracellular matrix (ECM) proteins at the nanometer scale and the biophysical interactions between the ECM solid structure and interstitial fluid at the micrometer scale. The latter is governed by poroelasticity theory assuming free motion of the interstitial fluid within the porous ECM structure. In a recent study (Heris, H.K., Miri, A.K., Tripathy, U., Barthelat, F., Mongeau, L., 2013. J. Mech. Behav. Biomed. Mater.), atomic force microscopy was used to measure the response of porcine vocal folds to a creep loading and a 50-nm sinusoidal oscillation. A constitutive model was calibrated and verified using a finite element model to accurately predict the nanoscale viscoelastic moduli of ECM. A generally good correlation was obtained between the predicted variation of the viscoelastic moduli with depth and that of hyaluronic acids in vocal fold tissue. We conclude that hyaluronic acids may regulate vocal fold viscoelasticity. The proposed methodology offers a characterization tool for biomaterials used in vocal fold augmentations. © 2013 Elsevier Ltd. All rights reserved.

Homogenization-based interval analysis for structural-acoustic problem involving periodical composites and multi-scale uncertain-but-bounded parameters.

PubMed

Chen, Ning; Yu, Dejie; Xia, Baizhan; Liu, Jian; Ma, Zhengdong

2017-04-01

This paper presents a homogenization-based interval analysis method for the prediction of coupled structural-acoustic systems involving periodical composites and multi-scale uncertain-but-bounded parameters. In the structural-acoustic system, the macro plate structure is assumed to be composed of a periodically uniform microstructure. The equivalent macro material properties of the microstructure are computed using the homogenization method. By integrating the first-order Taylor expansion interval analysis method with the homogenization-based finite element method, a homogenization-based interval finite element method (HIFEM) is developed to solve a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters. The corresponding formulations of the HIFEM are deduced. A subinterval technique is also introduced into the HIFEM for higher accuracy. Numerical examples of a hexahedral box and an automobile passenger compartment are given to demonstrate the efficiency of the presented method for a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters.

Delamination Modeling of Composites for Improved Crash Analysis

NASA Technical Reports Server (NTRS)

Fleming, David C.

1999-01-01

Finite element crash modeling of composite structures is limited by the inability of current commercial crash codes to accurately model delamination growth. Efforts are made to implement and assess delamination modeling techniques using a current finite element crash code, MSC/DYTRAN. Three methods are evaluated, including a straightforward method based on monitoring forces in elements or constraints representing an interface; a cohesive fracture model proposed in the literature; and the virtual crack closure technique commonly used in fracture mechanics. Results are compared with dynamic double cantilever beam test data from the literature. Examples show that it is possible to accurately model delamination propagation in this case. However, the computational demands required for accurate solution are great and reliable property data may not be available to support general crash modeling efforts. Additional examples are modeled including an impact-loaded beam, damage initiation in laminated crushing specimens, and a scaled aircraft subfloor structures in which composite sandwich structures are used as energy-absorbing elements. These examples illustrate some of the difficulties in modeling delamination as part of a finite element crash analysis.

Analysis of wave motion in one-dimensional structures through fast-Fourier-transform-based wavelet finite element method

NASA Astrophysics Data System (ADS)

Shen, Wei; Li, Dongsheng; Zhang, Shuaifang; Ou, Jinping

2017-07-01

This paper presents a hybrid method that combines the B-spline wavelet on the interval (BSWI) finite element method and spectral analysis based on fast Fourier transform (FFT) to study wave propagation in One-Dimensional (1D) structures. BSWI scaling functions are utilized to approximate the theoretical wave solution in the spatial domain and construct a high-accuracy dynamic stiffness matrix. Dynamic reduction on element level is applied to eliminate the interior degrees of freedom of BSWI elements and substantially reduce the size of the system matrix. The dynamic equations of the system are then transformed and solved in the frequency domain through FFT-based spectral analysis which is especially suitable for parallel computation. A comparative analysis of four different finite element methods is conducted to demonstrate the validity and efficiency of the proposed method when utilized in high-frequency wave problems. Other numerical examples are utilized to simulate the influence of crack and delamination on wave propagation in 1D rods and beams. Finally, the errors caused by FFT and their corresponding solutions are presented.

Probabilistic structural analysis methods for select space propulsion system components

NASA Technical Reports Server (NTRS)

Millwater, H. R.; Cruse, T. A.

1989-01-01

The Probabilistic Structural Analysis Methods (PSAM) project developed at the Southwest Research Institute integrates state-of-the-art structural analysis techniques with probability theory for the design and analysis of complex large-scale engineering structures. An advanced efficient software system (NESSUS) capable of performing complex probabilistic analysis has been developed. NESSUS contains a number of software components to perform probabilistic analysis of structures. These components include: an expert system, a probabilistic finite element code, a probabilistic boundary element code and a fast probability integrator. The NESSUS software system is shown. An expert system is included to capture and utilize PSAM knowledge and experience. NESSUS/EXPERT is an interactive menu-driven expert system that provides information to assist in the use of the probabilistic finite element code NESSUS/FEM and the fast probability integrator (FPI). The expert system menu structure is summarized. The NESSUS system contains a state-of-the-art nonlinear probabilistic finite element code, NESSUS/FEM, to determine the structural response and sensitivities. A broad range of analysis capabilities and an extensive element library is present.

Localized Overheating Phenomena and Optimization of Spark-Plasma Sintering Tooling Design

PubMed Central

Giuntini, Diletta; Olevsky, Eugene A.; Garcia-Cardona, Cristina; Maximenko, Andrey L.; Yurlova, Maria S.; Haines, Christopher D.; Martin, Darold G.; Kapoor, Deepak

2013-01-01

The present paper shows the application of a three-dimensional coupled electrical, thermal, mechanical finite element macro-scale modeling framework of Spark Plasma Sintering (SPS) to an actual problem of SPS tooling overheating, encountered during SPS experimentation. The overheating phenomenon is analyzed by varying the geometry of the tooling that exhibits the problem, namely by modeling various tooling configurations involving sequences of disk-shape spacers with step-wise increasing radii. The analysis is conducted by means of finite element simulations, intended to obtain temperature spatial distributions in the graphite press-forms, including punches, dies, and spacers; to identify the temperature peaks and their respective timing, and to propose a more suitable SPS tooling configuration with the avoidance of the overheating as a final aim. Electric currents-based Joule heating, heat transfer, mechanical conditions, and densification are imbedded in the model, utilizing the finite-element software COMSOL™, which possesses a distinguishing ability of coupling multiple physics. Thereby the implementation of a finite element method applicable to a broad range of SPS procedures is carried out, together with the more specific optimization of the SPS tooling design when dealing with excessive heating phenomena. PMID:28811398

Mechanical and Microstructural Effects of Thermal Aging on Cast Duplex Stainless Steels by Experiment and Finite Element Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwarm, Samuel C.; Mburu, Sarah N.; Kolli, Ratna P.

Cast duplex stainless steel piping in light water nuclear reactors expe- rience thermal aging embrittlement during operational service. Interest in extending the operational life to 80 years requires an increased understanding of the microstructural evolution and corresponding changes in mechanical behavior. We analyze the evolution of the microstructure during thermal aging of cast CF-3 and CF-8 stainless steels using electron microscopy and atom probe tomography. The evolution of the mechanical properties is measured concurrently by mechanical methods such as tensile tests, Charpy V-notch tests, and instrumented nanoinden- tation. A microstructure-based finite element method model is developed and uti- lized inmore » conjunction with the characterization results in order to correlate the local stress-strain effects in the microstructure with the bulk measurements. This work is supported by the DOE Nuclear Energy University Programs (NEUP), contract number DE-NE0000724.« less

A new scale of electronegativity based on electrophilicity index.

PubMed

Noorizadeh, Siamak; Shakerzadeh, Ehsan

2008-04-17

By calculating the energies of neutral and different ionic forms (M2+, M+, M, M-, and M2-) of 32 elements (using B3LYP/6-311++G** level of theory) and taking energy (E) to be a Morse-like function of the number of electrons (N), the electrophilicity values (omega) are calculated for these atoms. The obtained electrophilicities show a good linearity with some commonly used electronegativity scales such as Pauling and Allred-Rochow. Using these electrophilicities, the ionicities of some diatomic molecules are calculated, which are in good agreement with the experimental data. Therefore, these electrophilicities are introduced as a new scale for atomic electronegativity, chi(omega)0. The same procedure is also performed for some simple polyatomic molecules. It is shown that the new scale successfully obeys Sanderson's electronegativity equalization principle and for those molecules which have the same number of atoms, the ratio of the change in electronegativity during the formation of a molecule from its elements to the molecular electronegativity (Delta chi/chi omega) is the same.

A finite element beam propagation method for simulation of liquid crystal devices.

PubMed

Vanbrabant, Pieter J M; Beeckman, Jeroen; Neyts, Kristiaan; James, Richard; Fernandez, F Anibal

2009-06-22

An efficient full-vectorial finite element beam propagation method is presented that uses higher order vector elements to calculate the wide angle propagation of an optical field through inhomogeneous, anisotropic optical materials such as liquid crystals. The full dielectric permittivity tensor is considered in solving Maxwell's equations. The wide applicability of the method is illustrated with different examples: the propagation of a laser beam in a uniaxial medium, the tunability of a directional coupler based on liquid crystals and the near-field diffraction of a plane wave in a structure containing micrometer scale variations in the transverse refractive index, similar to the pixels of a spatial light modulator.

Efficient Computation of Atmospheric Flows with Tempest: Development of Next-Generation Climate and Weather Prediction Algorithms at Non-Hydrostatic Scales

NASA Astrophysics Data System (ADS)

Guerra, J. E.; Ullrich, P. A.

2015-12-01

Tempest is a next-generation global climate and weather simulation platform designed to allow experimentation with numerical methods at very high spatial resolutions. The atmospheric fluid equations are discretized by continuous / discontinuous finite elements in the horizontal and by a staggered nodal finite element method (SNFEM) in the vertical, coupled with implicit/explicit time integration. At global horizontal resolutions below 10km, many important questions remain on optimal techniques for solving the fluid equations. We present results from a suite of meso-scale test cases to validate the performance of the SNFEM applied in the vertical. Internal gravity wave, mountain wave, convective, and Cartesian baroclinic instability tests will be shown at various vertical orders of accuracy and compared with known results.

Stream-sediment samples reanalyzed for major, rare earth, and trace elements from seven 1:250,000-scale quadrangles, south-central Alaska, 2007-09

USGS Publications Warehouse

Gamble, Bruce M.; Bailey, Elizabeth A.; Shew, Nora B.; Labay, Keith A.; Schmidt, Jeanine M.; O'Leary, Richard M.; Detra, David E.

2010-01-01

During the 1960s through the 1980s, the U.S. Geological Survey conducted reconnaissance geochemical surveys of drainage basins throughout most of the Iliamna, Lake Clark, Lime Hills, and Talkeetna 1:250,000-scale quadrangles and parts of the McGrath, Seldovia, and Tyonek 1:250,000-scale quadrangles in Alaska. These geochemical surveys provide data necessary to assess the potential for undiscovered mineral resources and provide data that may be used to determine regional-scale element baselines. This report provides new data for 1,075 of the previously collected stream-sediment samples. The new analyses include a broader spectrum of elements and provide data that are more precise than the original analyses. All samples were analyzed for arsenic by hydride generation atomic absorption spectrometry, for gold, palladium, and platinum by inductively coupled plasma-mass spectrometry after lead button fire assay separation, and for a suite of 55 major, rare earth, and trace elements by inductively coupled plasma-atomic emission spectrometry and inductively coupled plasma-mass spectrometry after sodium peroxide sinter at 450 degrees Celsius.

Influence of Finite Element Size in Residual Strength Prediction of Composite Structures

NASA Technical Reports Server (NTRS)

Satyanarayana, Arunkumar; Bogert, Philip B.; Karayev, Kazbek Z.; Nordman, Paul S.; Razi, Hamid

2012-01-01

The sensitivity of failure load to the element size used in a progressive failure analysis (PFA) of carbon composite center notched laminates is evaluated. The sensitivity study employs a PFA methodology previously developed by the authors consisting of Hashin-Rotem intra-laminar fiber and matrix failure criteria and a complete stress degradation scheme for damage simulation. The approach is implemented with a user defined subroutine in the ABAQUS/Explicit finite element package. The effect of element size near the notch tips on residual strength predictions was assessed for a brittle failure mode with a parametric study that included three laminates of varying material system, thickness and stacking sequence. The study resulted in the selection of an element size of 0.09 in. X 0.09 in., which was later used for predicting crack paths and failure loads in sandwich panels and monolithic laminated panels. Comparison of predicted crack paths and failure loads for these panels agreed well with experimental observations. Additionally, the element size vs. normalized failure load relationship, determined in the parametric study, was used to evaluate strength-scaling factors for three different element sizes. The failure loads predicted with all three element sizes provided converged failure loads with respect to that corresponding with the 0.09 in. X 0.09 in. element size. Though preliminary in nature, the strength-scaling concept has the potential to greatly reduce the computational time required for PFA and can enable the analysis of large scale structural components where failure is dominated by fiber failure in tension.

Full-scale locomotive dynamic collision testing and correlations : offset collisions between a locomotive and a covered hopper car (test 4).

DOT National Transportation Integrated Search

2011-09-01

This report presents the test results and finite element correlations of a full-scale dynamic collision test with rail vehicles as part of the Federal Railroad Administrations research program on improved crashworthiness of locomotive structures. ...

Fluctuating hydrodynamics for multiscale modeling and simulation: energy and heat transfer in molecular fluids.

PubMed

Shang, Barry Z; Voulgarakis, Nikolaos K; Chu, Jhih-Wei

2012-07-28

This work illustrates that fluctuating hydrodynamics (FHD) simulations can be used to capture the thermodynamic and hydrodynamic responses of molecular fluids at the nanoscale, including those associated with energy and heat transfer. Using all-atom molecular dynamics (MD) trajectories as the reference data, the atomistic coordinates of each snapshot are mapped onto mass, momentum, and energy density fields on Eulerian grids to generate a corresponding field trajectory. The molecular length-scale associated with finite molecule size is explicitly imposed during this coarse-graining by requiring that the variances of density fields scale inversely with the grid volume. From the fluctuations of field variables, the response functions and transport coefficients encoded in the all-atom MD trajectory are computed. By using the extracted fluid properties in FHD simulations, we show that the fluctuations and relaxation of hydrodynamic fields quantitatively match with those observed in the reference all-atom MD trajectory, hence establishing compatibility between the atomistic and field representations. We also show that inclusion of energy transfer in the FHD equations can more accurately capture the thermodynamic and hydrodynamic responses of molecular fluids. The results indicate that the proposed MD-to-FHD mapping with explicit consideration of finite molecule size provides a robust framework for coarse-graining the solution phase of complex molecular systems.

Determination of cellular strains by combined atomic force microscopy and finite element modeling.

PubMed Central

Charras, Guillaume T; Horton, Mike A

2002-01-01

Many organs adapt to their mechanical environment as a result of physiological change or disease. Cells are both the detectors and effectors of this process. Though many studies have been performed in vitro to investigate the mechanisms of detection and adaptation to mechanical strains, the cellular strains remain unknown and results from different stimulation techniques cannot be compared. By combining experimental determination of cell profiles and elasticities by atomic force microscopy with finite element modeling and computational fluid dynamics, we report the cellular strain distributions exerted by common whole-cell straining techniques and from micromanipulation techniques, hence enabling their comparison. Using data from our own analyses and experiments performed by others, we examine the threshold of activation for different signal transduction processes and the strain components that they may detect. We show that modulating cell elasticity, by increasing the F-actin content of the cytoskeleton, or cellular Poisson ratio are good strategies to resist fluid shear or hydrostatic pressure. We report that stray fluid flow in some substrate-stretch systems elicits significant cellular strains. In conclusion, this technique shows promise in furthering our understanding of the interplay among mechanical forces, strain detection, gene expression, and cellular adaptation in physiology and disease. PMID:12124270

Multi-Scale Computational Modeling of Two-Phased Metal Using GMC Method

NASA Technical Reports Server (NTRS)

Moghaddam, Masoud Ghorbani; Achuthan, A.; Bednacyk, B. A.; Arnold, S. M.; Pineda, E. J.

2014-01-01

A multi-scale computational model for determining plastic behavior in two-phased CMSX-4 Ni-based superalloys is developed on a finite element analysis (FEA) framework employing crystal plasticity constitutive model that can capture the microstructural scale stress field. The generalized method of cells (GMC) micromechanics model is used for homogenizing the local field quantities. At first, GMC as stand-alone is validated by analyzing a repeating unit cell (RUC) as a two-phased sample with 72.9% volume fraction of gamma'-precipitate in the gamma-matrix phase and comparing the results with those predicted by finite element analysis (FEA) models incorporating the same crystal plasticity constitutive model. The global stress-strain behavior and the local field quantity distributions predicted by GMC demonstrated good agreement with FEA. High computational saving, at the expense of some accuracy in the components of local tensor field quantities, was obtained with GMC. Finally, the capability of the developed multi-scale model linking FEA and GMC to solve real life sized structures is demonstrated by analyzing an engine disc component and determining the microstructural scale details of the field quantities.

Multi-Scale Modeling of an Integrated 3D Braided Composite with Applications to Helicopter Arm

NASA Astrophysics Data System (ADS)

Zhang, Diantang; Chen, Li; Sun, Ying; Zhang, Yifan; Qian, Kun

2017-10-01

A study is conducted with the aim of developing multi-scale analytical method for designing the composite helicopter arm with three-dimensional (3D) five-directional braided structure. Based on the analysis of 3D braided microstructure, the multi-scale finite element modeling is developed. Finite element analysis on the load capacity of 3D five-directional braided composites helicopter arm is carried out using the software ABAQUS/Standard. The influences of the braiding angle and loading condition on the stress and strain distribution of the helicopter arm are simulated. The results show that the proposed multi-scale method is capable of accurately predicting the mechanical properties of 3D braided composites, validated by the comparison the stress-strain curves of meso-scale RVCs. Furthermore, it is found that the braiding angle is an important factor affecting the mechanical properties of 3D five-directional braided composite helicopter arm. Based on the optimized structure parameters, the nearly net-shaped composite helicopter arm is fabricated using a novel resin transfer mould (RTM) process.

Coupled Finite Volume and Finite Element Method Analysis of a Complex Large-Span Roof Structure

NASA Astrophysics Data System (ADS)

Szafran, J.; Juszczyk, K.; Kamiński, M.

2017-12-01

The main goal of this paper is to present coupled Computational Fluid Dynamics and structural analysis for the precise determination of wind impact on internal forces and deformations of structural elements of a longspan roof structure. The Finite Volume Method (FVM) serves for a solution of the fluid flow problem to model the air flow around the structure, whose results are applied in turn as the boundary tractions in the Finite Element Method problem structural solution for the linear elastostatics with small deformations. The first part is carried out with the use of ANSYS 15.0 computer system, whereas the FEM system Robot supports stress analysis in particular roof members. A comparison of the wind pressure distribution throughout the roof surface shows some differences with respect to that available in the engineering designing codes like Eurocode, which deserves separate further numerical studies. Coupling of these two separate numerical techniques appears to be promising in view of future computational models of stochastic nature in large scale structural systems due to the stochastic perturbation method.

Accurate traveltime computation in complex anisotropic media with discontinuous Galerkin method

NASA Astrophysics Data System (ADS)

Le Bouteiller, P.; Benjemaa, M.; Métivier, L.; Virieux, J.

2017-12-01

Travel time computation is of major interest for a large range of geophysical applications, among which source localization and characterization, phase identification, data windowing and tomography, from decametric scale up to global Earth scale.Ray-tracing tools, being essentially 1D Lagrangian integration along a path, have been used for their efficiency but present some drawbacks, such as a rather difficult control of the medium sampling. Moreover, they do not provide answers in shadow zones. Eikonal solvers, based on an Eulerian approach, have attracted attention in seismology with the pioneering work of Vidale (1988), while such approach has been proposed earlier by Riznichenko (1946). They have been used now for first-arrival travel-time tomography at various scales (Podvin & Lecomte (1991). The framework for solving this non-linear partial differential equation is now well understood and various finite-difference approaches have been proposed, essentially for smooth media. We propose a novel finite element approach which builds a precise solution for strongly heterogeneous anisotropic medium (still in the limit of Eikonal validity). The discontinuous Galerkin method we have developed allows local refinement of the mesh and local high orders of interpolation inside elements. High precision of the travel times and its spatial derivatives is obtained through this formulation. This finite element method also honors boundary conditions, such as complex topographies and absorbing boundaries for mimicking an infinite medium. Applications from travel-time tomography, slope tomography are expected, but also for migration and take-off angles estimation, thanks to the accuracy obtained when computing first-arrival times.References:Podvin, P. and Lecomte, I., 1991. Finite difference computation of traveltimes in very contrasted velocity model: a massively parallel approach and its associated tools, Geophys. J. Int., 105, 271-284.Riznichenko, Y., 1946. Geometrical seismics of layered media, Trudy Inst. Theor. Geophysics, Vol II, Moscow (in Russian).Vidale, J., 1988. Finite-difference calculation of travel times, Bull. seism. Soc. Am., 78, 2062-2076.

A Novel Multiscale Physics Based Progressive Failure Methodology for Laminated Composite Structures

NASA Technical Reports Server (NTRS)

Pineda, Evan J.; Waas, Anthony M.; Bednarcyk, Brett A.; Collier, Craig S.; Yarrington, Phillip W.

2008-01-01

A variable fidelity, multiscale, physics based finite element procedure for predicting progressive damage and failure of laminated continuous fiber reinforced composites is introduced. At every integration point in a finite element model, progressive damage is accounted for at the lamina-level using thermodynamically based Schapery Theory. Separate failure criteria are applied at either the global-scale or the microscale in two different FEM models. A micromechanics model, the Generalized Method of Cells, is used to evaluate failure criteria at the micro-level. The stress-strain behavior and observed failure mechanisms are compared with experimental results for both models.

Single-trabecula building block for large-scale finite element models of cancellous bone.

PubMed

Dagan, D; Be'ery, M; Gefen, A

2004-07-01

Recent development of high-resolution imaging of cancellous bone allows finite element (FE) analysis of bone tissue stresses and strains in individual trabeculae. However, specimen-specific stress/strain analyses can include effects of anatomical variations and local damage that can bias the interpretation of the results from individual specimens with respect to large populations. This study developed a standard (generic) 'building-block' of a trabecula for large-scale FE models. Being parametric and based on statistics of dimensions of ovine trabeculae, this building block can be scaled for trabecular thickness and length and be used in commercial or custom-made FE codes to construct generic, large-scale FE models of bone, using less computer power than that currently required to reproduce the accurate micro-architecture of trabecular bone. Orthogonal lattices constructed with this building block, after it was scaled to trabeculae of the human proximal femur, provided apparent elastic moduli of approximately 150 MPa, in good agreement with experimental data for the stiffness of cancellous bone from this site. Likewise, lattices with thinner, osteoporotic-like trabeculae could predict a reduction of approximately 30% in the apparent elastic modulus, as reported in experimental studies of osteoporotic femora. Based on these comparisons, it is concluded that the single-trabecula element developed in the present study is well-suited for representing cancellous bone in large-scale generic FE simulations.

Finite element simulation of structural performance on flexible pavements with stabilized base/treated sub-base materials under accelerated loading : research project capsule.

DOT National Transportation Integrated Search

2008-12-01

PROBLEM: The full-scale accelerated pavement testing (APT) provides a unique tool for pavement : engineers to directly collect pavement performance and failure data under heavy : wheel loading. However, running a full-scale APT experiment is very exp...

Heavy element effects in the diagonal Born–Oppenheimer correction within a relativistic spin-free Hamiltonian

DOE PAGES

Imafuku, Yuji; Abe, Minori; Schmidt, Michael W.; ...

2016-03-22

Methodologies beyond the Born–Oppenheimer (BO) approximation are nowadays important to explain high precision spectroscopic measurements. Most previous evaluations of the BO correction are, however, focused on light-element molecules and based on a nonrelativistic Hamiltonian, so no information about the BO approximation (BOA) breakdown in heavy-element molecules is available. The present work is the first to investigate the BOA breakdown for the entire periodic table, by considering scalar relativistic effects in the Diagonal BO correction (DBOC). In closed shell atoms, the relativistic EDBOC scales as Z 1.25 and the nonrelativistic EDBOC scales as Z 1.17, where Z is the atomic number.more » Hence, we found that EDBOC becomes larger in heavy element atoms and molecules, and the relativistic EDBOC increases faster than nonrelativistic EDBOC. We have further investigated the DBOC effects on properties such as potential energy curves, spectroscopic parameters, and various energetic properties. The DBOC effects for these properties are mostly affected by the lightest atom in the molecule. Furthermore, in X 2 or XAt molecule (X = H, Li, Na, K, Rb, and Cs) the effect of DBOC systematically decreases when X becomes heavier but in HX molecules, the effect of DBOC seems relatively similar among all the molecules.« less

Energy-loss- and thickness-dependent contrast in atomic-scale electron energy-loss spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Haiyan; Zhu, Ye; Dwyer, Christian

2014-12-31

Atomic-scale elemental maps of materials acquired by core-loss inelastic electron scattering often exhibit an undesirable sensitivity to the unavoidable elastic scattering, making the maps counter-intuitive to interpret. Here, we present a systematic study that scrutinizes the energy-loss and sample-thickness dependence of atomic-scale elemental maps acquired using 100 keV incident electrons in a scanning transmission electron microscope. For single-crystal silicon, the balance between elastic and inelastic scattering means that maps generated from the near-threshold Si-L signal (energy loss of 99 eV) show no discernible contrast for a thickness of 0.5λ (λ is the electron mean-free path, here approximately 110 nm). Atmore » greater thicknesses we observe a counter-intuitive “negative” contrast. Only at much higher energy losses is an intuitive “positive” contrast gradually restored. Our quantitative analysis shows that the energy-loss at which a positive contrast is restored depends linearly on the sample thickness. This behavior is in very good agreement with our double-channeling inelastic scattering calculations. We test a recently-proposed experimental method to correct the core-loss inelastic scattering and restore an intuitive “positive” chemical contrast. The method is demonstrated to be reliable over a large range of energy losses and sample thicknesses. The corrected contrast for near-threshold maps is demonstrated to be (desirably) inversely proportional to sample thickness. As a result, implications for the interpretation of atomic-scale elemental maps are discussed.« less

Development of technology for modeling of a 1/8-scale dynamic model of the shuttle Solid Rocket Booster (SRB)

NASA Technical Reports Server (NTRS)

Levy, A.; Zalesak, J.; Bernstein, M.; Mason, P. W.

1974-01-01

A NASTRAN analysis of the solid rocket booster (SRB) substructure of the space shuttle 1/8-scale structural dynamics model. The NASTRAN finite element modeling capability was first used to formulate a model of a cylinder 10 in. radius by a 200 in. length to investigate the accuracy and adequacy of the proposed grid point spacing. Results were compared with a shell analysis and demonstrated relatively accurate results for NASTRAN for the lower modes, which were of primary interest. A finite element model of the full SRB was then formed using CQUAD2 plate elements containing membrane and bending stiffness and CBAR offset bar elements to represent the longerons and frames. Three layers of three-dimensional CHEXAI elements were used to model the propellant. This model, consisting of 4000 degrees of freedom (DOF) initially, was reduced to 176 DOF using Guyan reduction. The model was then submitted for complex Eigenvalue analysis. After experiencing considerable difficulty with attempts to run the complete model, it was split into two substructres. These were run separately and combined into a single 116 degree of freedom A set which was successfully run. Results are reported.

The Relation of Finite Element and Finite Difference Methods

NASA Technical Reports Server (NTRS)

Vinokur, M.

1976-01-01

Finite element and finite difference methods are examined in order to bring out their relationship. It is shown that both methods use two types of discrete representations of continuous functions. They differ in that finite difference methods emphasize the discretization of independent variable, while finite element methods emphasize the discretization of dependent variable (referred to as functional approximations). An important point is that finite element methods use global piecewise functional approximations, while finite difference methods normally use local functional approximations. A general conclusion is that finite element methods are best designed to handle complex boundaries, while finite difference methods are superior for complex equations. It is also shown that finite volume difference methods possess many of the advantages attributed to finite element methods.

Remote sensing applied to numerical modelling. [water resources pollution

NASA Technical Reports Server (NTRS)

Sengupta, S.; Lee, S. S.; Veziroglu, T. N.; Bland, R.

1975-01-01

Progress and remaining difficulties in the construction of predictive mathematical models of large bodies of water as ecosystems are reviewed. Surface temperature is at present the only variable than can be measured accurately and reliably by remote sensing techniques, but satellite infrared data are of sufficient resolution for macro-scale modeling of oceans and large lakes, and airborne radiometers are useful in meso-scale analysis (of lakes, bays, and thermal plumes). Finite-element and finite-difference techniques applied to the solution of relevant coupled time-dependent nonlinear partial differential equations are compared, and the specific problem of the Biscayne Bay and environs ecosystem is tackled in a finite-differences treatment using the rigid-lid model and a rigid-line grid system.

A 3-D turbulent flow analysis using finite elements with k-ɛ model

NASA Astrophysics Data System (ADS)

Okuda, H.; Yagawa, G.; Eguchi, Y.

1989-03-01

This paper describes the finite element turbulent flow analysis, which is suitable for three-dimensional large scale problems. The k-ɛ turbulence model as well as the conservation equations of mass and momentum are discretized in space using rather low order elements. Resulting coefficient matrices are evaluated by one-point quadrature in order to reduce the computational storage and the CPU cost. The time integration scheme based on the velocity correction method is employed to obtain steady state solutions. For the verification of this FEM program, two-dimensional plenum flow is simulated and compared with experiment. As the application to three-dimensional practical problems, the turbulent flows in the upper plenum of the fast breeder reactor are calculated for various boundary conditions.

Prediction of a new graphenelike Si2BN solid

NASA Astrophysics Data System (ADS)

Andriotis, Antonis N.; Richter, Ernst; Menon, Madhu

2016-02-01

While the possibility to create a single-atom-thick two-dimensional layer from any material remains, only a few such structures have been obtained other than graphene and a monolayer of boron nitride. Here, based upon ab initio theoretical simulations, we propose a new stable graphenelike single-atomic-layer Si2BN structure that has all of its atoms with s p2 bonding with no out-of-plane buckling. The structure is found to be metallic with a finite density of states at the Fermi level. This structure can be rolled into nanotubes in a manner similar to graphene. Combining first- and second-row elements in the Periodic Table to form a one-atom-thick material that is also flat opens up the possibility for studying new physics beyond graphene. The presence of Si will make the surface more reactive and therefore a promising candidate for hydrogen storage.

Application of a finite-element model to low-frequency sound insulation in dwellings.

PubMed

Maluski, S P; Gibbs, B M

2000-10-01

The sound transmission between adjacent rooms has been modeled using a finite-element method. Predicted sound-level difference gave good agreement with experimental data using a full-scale and a quarter-scale model. Results show that the sound insulation characteristics of a party wall at low frequencies strongly depend on the modal characteristics of the sound field of both rooms and of the partition. The effect of three edge conditions of the separating wall on the sound-level difference at low frequencies was examined: simply supported, clamped, and a combination of clamped and simply supported. It is demonstrated that a clamped partition provides greater sound-level difference at low frequencies than a simply supported. It also is confirmed that the sound-pressure level difference is lower in equal room than in unequal room configurations.

Least-squares finite element solution of 3D incompressible Navier-Stokes problems

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Lin, Tsung-Liang; Povinelli, Louis A.

1992-01-01

Although significant progress has been made in the finite element solution of incompressible viscous flow problems. Development of more efficient methods is still needed before large-scale computation of 3D problems becomes feasible. This paper presents such a development. The most popular finite element method for the solution of incompressible Navier-Stokes equations is the classic Galerkin mixed method based on the velocity-pressure formulation. The mixed method requires the use of different elements to interpolate the velocity and the pressure in order to satisfy the Ladyzhenskaya-Babuska-Brezzi (LBB) condition for the existence of the solution. On the other hand, due to the lack of symmetry and positive definiteness of the linear equations arising from the mixed method, iterative methods for the solution of linear systems have been hard to come by. Therefore, direct Gaussian elimination has been considered the only viable method for solving the systems. But, for three-dimensional problems, the computer resources required by a direct method become prohibitively large. In order to overcome these difficulties, a least-squares finite element method (LSFEM) has been developed. This method is based on the first-order velocity-pressure-vorticity formulation. In this paper the LSFEM is extended for the solution of three-dimensional incompressible Navier-Stokes equations written in the following first-order quasi-linear velocity-pressure-vorticity formulation.

FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Regnier, D.; Dubray, N.; Verriere, M.

The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in a multi-dimensional collective space. In this study, we present the version 2.0 of the code FELIX that solves the collective Schrödinger equation in a finite element basis. This new version features: (i) the ability to solve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) support for new kinds of finite elements and different typesmore » of quadrature to compute the discretized Hamiltonian and overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylov approximation of the time propagator for time integration instead of the implicit Crank–Nicolson method implemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on an analytic problem as well as on realistic two-dimensional calculations of the low-energy fission of 240Pu and 256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplex elements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectral element method with a degree 4 polynomial basis. Finally, we emphasize that in a realistic calculation of fission mass distributions of 240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numerical precision of a few percents).« less

FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

DOE PAGES

Regnier, D.; Dubray, N.; Verriere, M.; ...

2017-12-20

The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in a multi-dimensional collective space. In this study, we present the version 2.0 of the code FELIX that solves the collective Schrödinger equation in a finite element basis. This new version features: (i) the ability to solve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) support for new kinds of finite elements and different typesmore » of quadrature to compute the discretized Hamiltonian and overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylov approximation of the time propagator for time integration instead of the implicit Crank–Nicolson method implemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on an analytic problem as well as on realistic two-dimensional calculations of the low-energy fission of 240Pu and 256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplex elements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectral element method with a degree 4 polynomial basis. Finally, we emphasize that in a realistic calculation of fission mass distributions of 240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numerical precision of a few percents).« less

On the atomic-number similarity of the binding energies of electrons in filled shells of elements of the periodic table

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karpov, V. Ya.; Shpatakovskaya, G. V., E-mail: shpagalya@yandex.ru

An expression for the binding energies of electrons in the ground state of an atom is derived on the basis of the Bohr–Sommerfeld quantization rule within the Thomas–Fermi model. The validity of this relation for all elements from neon to uranium is tested within a more perfect quantum-mechanical model with and without the inclusion of relativistic effects, as well as with experimental binding energies. As a result, the ordering of electronic levels in filled atomic shells is established, manifested in an approximate atomic-number similarity. It is proposed to use this scaling property to analytically estimate the binding energies of electronsmore » in an arbitrary atom.« less

Full-Scale Crash Test and Finite Element Simulation of a Composite Prototype Helicopter

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.; Boitnott, Richard L.; Lyle, Karen H.

2003-01-01

A full-scale crash test of a prototype composite helicopter was performed at the Impact Dynamics Research Facility at NASA Langley Research Center in 1999 to obtain data for validation of a finite element crash simulation. The helicopter was the flight test article built by Sikorsky Aircraft during the Advanced Composite Airframe Program (ACAP). The composite helicopter was designed to meet the stringent Military Standard (MIL-STD-1290A) crashworthiness criteria and was outfitted with two crew and two troop seats and four anthropomorphic dummies. The test was performed at 38-ft/s vertical and 32.5-ft/s horizontal velocity onto a rigid surface. An existing modal-vibration model of the Sikorsky ACAP helicopter was converted into a model suitable for crash simulation. A two-stage modeling approach was implemented and an external user-defined subroutine was developed to represent the complex landing gear response. The crash simulation was executed with a nonlinear, explicit transient dynamic finite element code. Predictions of structural deformation and failure, the sequence of events, and the dynamic response of the airframe structure were generated and the numerical results were correlated with the experimental data to validate the simulation. The test results, the model development, and the test-analysis correlation are described.

Image-Based Macro-Micro Finite Element Models of a Canine Femur with Implant Design Implications

NASA Astrophysics Data System (ADS)

Ghosh, Somnath; Krishnan, Ganapathi; Dyce, Jonathan

2006-06-01

In this paper, a comprehensive model of a bone-cement-implant assembly is developed for a canine cemented femoral prosthesis system. Various steps in this development entail profiling the canine femur contours by computed tomography (CT) scanning, computer aided design (CAD) reconstruction of the canine femur from CT images, CAD modeling of the implant from implant blue prints and CAD modeling of the interface cement. Finite element analysis of the macroscopic assembly is conducted for stress analysis in individual components of the system, accounting for variation in density and material properties in the porous bone material. A sensitivity analysis is conducted with the macroscopic model to investigate the effect of implant design variables on the stress distribution in the assembly. Subsequently, rigorous microstructural analysis of the bone incorporating the morphological intricacies is conducted. Various steps in this development include acquisition of the bone microstructural data from histological serial sectioning, stacking of sections to obtain 3D renderings of void distributions, microstructural characterization and determination of properties and, finally, microstructural stress analysis using a 3D Voronoi cell finite element method. Generation of the simulated microstructure and analysis by the 3D Voronoi cell finite element model provides a new way of modeling complex microstructures and correlating to morphological characteristics. An inverse calculation of the material parameters of bone by combining macroscopic experiments with microstructural characterization and analysis provides a new approach to evaluating properties without having to do experiments at this scale. Finally, the microstructural stresses in the femur are computed using the 3D VCFEM to study the stress distribution at the scale of the bone porosity. Significant difference is observed between the macroscopic stresses and the peak microscopic stresses at different locations.

Summary Report of Working Group 2: Computation

NASA Astrophysics Data System (ADS)

Stoltz, P. H.; Tsung, R. S.

2009-01-01

The working group on computation addressed three physics areas: (i) plasma-based accelerators (laser-driven and beam-driven), (ii) high gradient structure-based accelerators, and (iii) electron beam sources and transport [1]. Highlights of the talks in these areas included new models of breakdown on the microscopic scale, new three-dimensional multipacting calculations with both finite difference and finite element codes, and detailed comparisons of new electron gun models with standard models such as PARMELA. The group also addressed two areas of advances in computation: (i) new algorithms, including simulation in a Lorentz-boosted frame that can reduce computation time orders of magnitude, and (ii) new hardware architectures, like graphics processing units and Cell processors that promise dramatic increases in computing power. Highlights of the talks in these areas included results from the first large-scale parallel finite element particle-in-cell code (PIC), many order-of-magnitude speedup of, and details of porting the VPIC code to the Roadrunner supercomputer. The working group featured two plenary talks, one by Brian Albright of Los Alamos National Laboratory on the performance of the VPIC code on the Roadrunner supercomputer, and one by David Bruhwiler of Tech-X Corporation on recent advances in computation for advanced accelerators. Highlights of the talk by Albright included the first one trillion particle simulations, a sustained performance of 0.3 petaflops, and an eight times speedup of science calculations, including back-scatter in laser-plasma interaction. Highlights of the talk by Bruhwiler included simulations of 10 GeV accelerator laser wakefield stages including external injection, new developments in electromagnetic simulations of electron guns using finite difference and finite element approaches.

Summary Report of Working Group 2: Computation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stoltz, P. H.; Tsung, R. S.

2009-01-22

The working group on computation addressed three physics areas: (i) plasma-based accelerators (laser-driven and beam-driven), (ii) high gradient structure-based accelerators, and (iii) electron beam sources and transport [1]. Highlights of the talks in these areas included new models of breakdown on the microscopic scale, new three-dimensional multipacting calculations with both finite difference and finite element codes, and detailed comparisons of new electron gun models with standard models such as PARMELA. The group also addressed two areas of advances in computation: (i) new algorithms, including simulation in a Lorentz-boosted frame that can reduce computation time orders of magnitude, and (ii) newmore » hardware architectures, like graphics processing units and Cell processors that promise dramatic increases in computing power. Highlights of the talks in these areas included results from the first large-scale parallel finite element particle-in-cell code (PIC), many order-of-magnitude speedup of, and details of porting the VPIC code to the Roadrunner supercomputer. The working group featured two plenary talks, one by Brian Albright of Los Alamos National Laboratory on the performance of the VPIC code on the Roadrunner supercomputer, and one by David Bruhwiler of Tech-X Corporation on recent advances in computation for advanced accelerators. Highlights of the talk by Albright included the first one trillion particle simulations, a sustained performance of 0.3 petaflops, and an eight times speedup of science calculations, including back-scatter in laser-plasma interaction. Highlights of the talk by Bruhwiler included simulations of 10 GeV accelerator laser wakefield stages including external injection, new developments in electromagnetic simulations of electron guns using finite difference and finite element approaches.« less

Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ′ Microstructures

PubMed Central

Prakash, Aruna; Bitzek, Erik

2017-01-01

Single-crystal Ni-base superalloys, consisting of a two-phase γ/γ′ microstructure, retain high strengths at elevated temperatures and are key materials for high temperature applications, like, e.g., turbine blades of aircraft engines. The lattice misfit between the γ and γ′ phases results in internal stresses, which significantly influence the deformation and creep behavior of the material. Large-scale atomistic simulations that are often used to enhance our understanding of the deformation mechanisms in such materials must accurately account for such misfit stresses. In this work, we compare the internal stresses in both idealized and experimentally-informed, i.e., more realistic, γ/γ′ microstructures. The idealized samples are generated by assuming, as is frequently done, a periodic arrangement of cube-shaped γ′ particles with planar γ/γ′ interfaces. The experimentally-informed samples are generated from two different sources to produce three different samples—the scanning electron microscopy micrograph-informed quasi-2D atomistic sample and atom probe tomography-informed stoichiometric and non-stoichiometric atomistic samples. Additionally, we compare the stress state of an idealized embedded cube microstructure with finite element simulations incorporating 3D periodic boundary conditions. Subsequently, we study the influence of the resulting stress state on the evolution of dislocation loops in the different samples. The results show that the stresses in the atomistic and finite element simulations are almost identical. Furthermore, quasi-2D boundary conditions lead to a significantly different stress state and, consequently, different evolution of the dislocation loop, when compared to samples with fully 3D boundary conditions. PMID:28772453

Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ' Microstructures.

PubMed

Prakash, Aruna; Bitzek, Erik

2017-01-23

Single-crystal Ni-base superalloys, consisting of a two-phase γ / γ ' microstructure, retain high strengths at elevated temperatures and are key materials for high temperature applications, like, e.g., turbine blades of aircraft engines. The lattice misfit between the γ and γ ' phases results in internal stresses, which significantly influence the deformation and creep behavior of the material. Large-scale atomistic simulations that are often used to enhance our understanding of the deformation mechanisms in such materials must accurately account for such misfit stresses. In this work, we compare the internal stresses in both idealized and experimentally-informed, i.e., more realistic, γ / γ ' microstructures. The idealized samples are generated by assuming, as is frequently done, a periodic arrangement of cube-shaped γ ' particles with planar γ / γ ' interfaces. The experimentally-informed samples are generated from two different sources to produce three different samples-the scanning electron microscopy micrograph-informed quasi-2D atomistic sample and atom probe tomography-informed stoichiometric and non-stoichiometric atomistic samples. Additionally, we compare the stress state of an idealized embedded cube microstructure with finite element simulations incorporating 3D periodic boundary conditions. Subsequently, we study the influence of the resulting stress state on the evolution of dislocation loops in the different samples. The results show that the stresses in the atomistic and finite element simulations are almost identical. Furthermore, quasi-2D boundary conditions lead to a significantly different stress state and, consequently, different evolution of the dislocation loop, when compared to samples with fully 3D boundary conditions.

STIR: Improved Electrolyte Surface Exchange via Atomically Strained Surfaces

DTIC Science & Technology

2015-09-03

at the University of Delaware. Concomitant with the experimental work, we also conducted numerical simulations of the experiments. A Poisson- Nernst ...oxygen ion lattice site results in a reaction volume and an associated Vex·ΔP term in the Arrhenius rate equation . In addition, tensile strain (i.e...simulations of the experiments. In recent work at the University of Delaware [9-13], we used finite element solution of generalized Poisson- Nernst -Planck

Welding technologies as applied to nuclear manufacturing

NASA Astrophysics Data System (ADS)

Roper, J. R.

1992-10-01

This is the trip report of John R. Roper, who traveled to England 25 Sep. through 8 Oct. 1992. Dr. Roper attended the US/UK JOWOG 22-D Joining Technical Exchange meeting and gave a presentation on Welding Finite Element Analysis and the Precision Joining Center at the Atomic Weapons Establishment in Aldermaston, United Kingdom. Dr. Roper also toured the Welding Institute in Abington, UK and discussed technology exchange of weld thermal and mechanical material responses.

Combined tension and bending testing of tapered composite laminates

NASA Astrophysics Data System (ADS)

O'Brien, T. Kevin; Murri, Gretchen B.; Hagemeier, Rick; Rogers, Charles

1994-11-01

A simple beam element used at Bell Helicopter was incorporated in the Computational Mechanics Testbed (COMET) finite element code at the Langley Research Center (LaRC) to analyze the responce of tappered laminates typical of flexbeams in composite rotor hubs. This beam element incorporated the influence of membrane loads on the flexural response of the tapered laminate configurations modeled and tested in a combined axial tension and bending (ATB) hydraulic load frame designed and built at LaRC. The moments generated from the finite element model were used in a tapered laminated plate theory analysis to estimate axial stresses on the surface of the tapered laminates due to combined bending and tension loads. Surfaces strains were calculated and compared to surface strains measured using strain gages mounted along the laminate length. The strain distributions correlated reasonably well with the analysis. The analysis was then used to examine the surface strain distribution in a non-linear tapered laminate where a similarly good correlation was obtained. Results indicate that simple finite element beam models may be used to identify tapered laminate configurations best suited for simulating the response of a composite flexbeam in a full scale rotor hub.

Cold Flow Testing for Liquid Propellant Rocket Injector Scaling and Throttling

NASA Technical Reports Server (NTRS)

Kenny, Jeremy R.; Moser, Marlow D.; Hulka, James; Jones, Gregg

2006-01-01

Scaling and throttling of combustion devices are important capabilities to demonstrate in development of liquid rocket engines for NASA's Space Exploration Mission. Scaling provides the ability to design new injectors and injection elements with predictable performance on the basis of test experience with existing injectors and elements, and could be a key aspect of future development programs. Throttling is the reduction of thrust with fixed designs and is a critical requirement in lunar and other planetary landing missions. A task in the Constellation University Institutes Program (CUIP) has been designed to evaluate spray characteristics when liquid propellant rocket engine injectors are scaled and throttled. The specific objectives of the present study are to characterize injection and primary atomization using cold flow simulations of the reacting sprays. These simulations can provide relevant information because the injection and primary atomization are believed to be the spray processes least affected by the propellant reaction. Cold flow studies also provide acceptable test conditions for a university environment. Three geometric scales - 1/4- scale, 1/2-scale, and full-scale - of two different injector element types - swirl coaxial and shear coaxial - will be designed, fabricated, and tested. A literature review is currently being conducted to revisit and compile the previous scaling documentation. Because it is simple to perform, throttling will also be examined in the present work by measuring primary atomization characteristics as the mass flow rate and pressure drop of the six injector element concepts are reduced, with corresponding changes in chamber backpressure. Simulants will include water and gaseous nitrogen, and an optically accessible chamber will be used for visual and laser-based diagnostics. The chamber will include curtain flow capability to repress recirculation, and additional gas injection to provide independent control of the backpressure. This paper provides a short review of the appropriate literature, as well as descriptions of plans for experimental hardware, test chamber instrumentation, diagnostics, and testing.

Multi-scale modeling of multi-component reactive transport in geothermal aquifers

NASA Astrophysics Data System (ADS)

Nick, Hamidreza M.; Raoof, Amir; Wolf, Karl-Heinz; Bruhn, David

2014-05-01

In deep geothermal systems heat and chemical stresses can cause physical alterations, which may have a significant effect on flow and reaction rates. As a consequence it will lead to changes in permeability and porosity of the formations due to mineral precipitation and dissolution. Large-scale modeling of reactive transport in such systems is still challenging. A large area of uncertainty is the way in which the pore-scale information controlling the flow and reaction will behave at a larger scale. A possible choice is to use constitutive relationships relating, for example the permeability and porosity evolutions to the change in the pore geometry. While determining such relationships through laboratory experiments may be limited, pore-network modeling provides an alternative solution. In this work, we introduce a new workflow in which a hybrid Finite-Element Finite-Volume method [1,2] and a pore network modeling approach [3] are employed. Using the pore-scale model, relevant constitutive relations are developed. These relations are then embedded in the continuum-scale model. This approach enables us to study non-isothermal reactive transport in porous media while accounting for micro-scale features under realistic conditions. The performance and applicability of the proposed model is explored for different flow and reaction regimes. References: 1. Matthäi, S.K., et al.: Simulation of solute transport through fractured rock: a higher-order accurate finite-element finite-volume method permitting large time steps. Transport in porous media 83.2 (2010): 289-318. 2. Nick, H.M., et al.: Reactive dispersive contaminant transport in coastal aquifers: Numerical simulation of a reactive Henry problem. Journal of contaminant hydrology 145 (2012), 90-104. 3. Raoof A., et al.: PoreFlow: A Complex pore-network model for simulation of reactive transport in variably saturated porous media, Computers & Geosciences, 61, (2013), 160-174.

Implementation of a finite-amplitude method in a relativistic meson-exchange model

NASA Astrophysics Data System (ADS)

Sun, Xuwei; Lu, Dinghui

2017-08-01

The finite-amplitude method is a feasible numerical approach to large scale random phase approximation calculations. It avoids the storage and calculation of residual interaction elements as well as the diagonalization of the RPA matrix, which will be prohibitive when the configuration space is huge. In this work we finished the implementation of a finite-amplitude method in a relativistic meson exchange mean field model with axial symmetry. The direct variation approach makes our FAM scheme capable of being extended to the multipole excitation case.

Discontinuous Galerkin Methods for NonLinear Differential Systems

NASA Technical Reports Server (NTRS)

Barth, Timothy; Mansour, Nagi (Technical Monitor)

2001-01-01

This talk considers simplified finite element discretization techniques for first-order systems of conservation laws equipped with a convex (entropy) extension. Using newly developed techniques in entropy symmetrization theory, simplified forms of the discontinuous Galerkin (DG) finite element method have been developed and analyzed. The use of symmetrization variables yields numerical schemes which inherit global entropy stability properties of the PDE (partial differential equation) system. Central to the development of the simplified DG methods is the Eigenvalue Scaling Theorem which characterizes right symmetrizers of an arbitrary first-order hyperbolic system in terms of scaled eigenvectors of the corresponding flux Jacobian matrices. A constructive proof is provided for the Eigenvalue Scaling Theorem with detailed consideration given to the Euler equations of gas dynamics and extended conservation law systems derivable as moments of the Boltzmann equation. Using results from kinetic Boltzmann moment closure theory, we then derive and prove energy stability for several approximate DG fluxes which have practical and theoretical merit.

Application of finite elements heterogeneous multi-scale method to eddy currents non destructive testing of carbon composites material

NASA Astrophysics Data System (ADS)

Khebbab, Mohamed; Feliachi, Mouloud; El Hadi Latreche, Mohamed

2018-03-01

In this present paper, a simulation of eddy current non-destructive testing (EC NDT) on unidirectional carbon fiber reinforced polymer is performed; for this magneto-dynamic formulation in term of magnetic vector potential is solved using finite element heterogeneous multi-scale method (FE HMM). FE HMM has as goal to compute the homogenized solution without calculating the homogenized tensor explicitly, the solution is based only on the physical characteristic known in micro domain. This feature is well adapted to EC NDT to evaluate defect in carbon composite material in microscopic scale, where the defect detection is performed by coil impedance measurement; the measurement value is intimately linked to material characteristic in microscopic level. Based on this, our model can handle different defects such as: cracks, inclusion, internal electrical conductivity changes, heterogeneities, etc. The simulation results were compared with the solution obtained with homogenized material using mixture law, a good agreement was found.

ANSYS duplicate finite-element checker routine

NASA Technical Reports Server (NTRS)

Ortega, R.

1995-01-01

An ANSYS finite-element code routine to check for duplicated elements within the volume of a three-dimensional (3D) finite-element mesh was developed. The routine developed is used for checking floating elements within a mesh, identically duplicated elements, and intersecting elements with a common face. A space shuttle main engine alternate turbopump development high pressure oxidizer turbopump finite-element model check using the developed subroutine is discussed. Finally, recommendations are provided for duplicate element checking of 3D finite-element models.

A multiscale simulation technique for molecular electronics: design of a directed self-assembled molecular n-bit shift register memory device.

PubMed

Lambropoulos, Nicholas A; Reimers, Jeffrey R; Crossley, Maxwell J; Hush, Noel S; Silverbrook, Kia

2013-12-20

A general method useful in molecular electronics design is developed that integrates modelling on the nano-scale (using quantum-chemical software) and on the micro-scale (using finite-element methods). It is applied to the design of an n-bit shift register memory that could conceivably be built using accessible technologies. To achieve this, the entire complex structure of the device would be built to atomic precision using feedback-controlled lithography to provide atomic-level control of silicon devices, controlled wet-chemical synthesis of molecular insulating pillars above the silicon, and controlled wet-chemical self-assembly of modular molecular devices to these pillars that connect to external metal electrodes (leads). The shift register consists of n connected cells that read data from an input electrode, pass it sequentially between the cells under the control of two external clock electrodes, and deliver it finally to an output device. The proposed cells are trimeric oligoporphyrin units whose internal states are manipulated to provide functionality, covalently connected to other cells via dipeptide linkages. Signals from the clock electrodes are conveyed by oligoporphyrin molecular wires, and μ-oxo porphyrin insulating columns are used as the supporting pillars. The developed multiscale modelling technique is applied to determine the characteristics of this molecular device, with in particular utilization of the inverted region for molecular electron-transfer processes shown to facilitate latching and control using exceptionally low energy costs per logic operation compared to standard CMOS shift register technology.

A multiscale simulation technique for molecular electronics: design of a directed self-assembled molecular n-bit shift register memory device

NASA Astrophysics Data System (ADS)

Lambropoulos, Nicholas A.; Reimers, Jeffrey R.; Crossley, Maxwell J.; Hush, Noel S.; Silverbrook, Kia

2013-12-01

A general method useful in molecular electronics design is developed that integrates modelling on the nano-scale (using quantum-chemical software) and on the micro-scale (using finite-element methods). It is applied to the design of an n-bit shift register memory that could conceivably be built using accessible technologies. To achieve this, the entire complex structure of the device would be built to atomic precision using feedback-controlled lithography to provide atomic-level control of silicon devices, controlled wet-chemical synthesis of molecular insulating pillars above the silicon, and controlled wet-chemical self-assembly of modular molecular devices to these pillars that connect to external metal electrodes (leads). The shift register consists of n connected cells that read data from an input electrode, pass it sequentially between the cells under the control of two external clock electrodes, and deliver it finally to an output device. The proposed cells are trimeric oligoporphyrin units whose internal states are manipulated to provide functionality, covalently connected to other cells via dipeptide linkages. Signals from the clock electrodes are conveyed by oligoporphyrin molecular wires, and μ-oxo porphyrin insulating columns are used as the supporting pillars. The developed multiscale modelling technique is applied to determine the characteristics of this molecular device, with in particular utilization of the inverted region for molecular electron-transfer processes shown to facilitate latching and control using exceptionally low energy costs per logic operation compared to standard CMOS shift register technology.

Adaptive implicit-explicit and parallel element-by-element iteration schemes

NASA Technical Reports Server (NTRS)

Tezduyar, T. E.; Liou, J.; Nguyen, T.; Poole, S.

1989-01-01

Adaptive implicit-explicit (AIE) and grouped element-by-element (GEBE) iteration schemes are presented for the finite element solution of large-scale problems in computational mechanics and physics. The AIE approach is based on the dynamic arrangement of the elements into differently treated groups. The GEBE procedure, which is a way of rewriting the EBE formulation to make its parallel processing potential and implementation more clear, is based on the static arrangement of the elements into groups with no inter-element coupling within each group. Various numerical tests performed demonstrate the savings in the CPU time and memory.

Progress in Computational Simulation of Earthquakes

NASA Technical Reports Server (NTRS)

Donnellan, Andrea; Parker, Jay; Lyzenga, Gregory; Judd, Michele; Li, P. Peggy; Norton, Charles; Tisdale, Edwin; Granat, Robert

2006-01-01

GeoFEST(P) is a computer program written for use in the QuakeSim project, which is devoted to development and improvement of means of computational simulation of earthquakes. GeoFEST(P) models interacting earthquake fault systems from the fault-nucleation to the tectonic scale. The development of GeoFEST( P) has involved coupling of two programs: GeoFEST and the Pyramid Adaptive Mesh Refinement Library. GeoFEST is a message-passing-interface-parallel code that utilizes a finite-element technique to simulate evolution of stress, fault slip, and plastic/elastic deformation in realistic materials like those of faulted regions of the crust of the Earth. The products of such simulations are synthetic observable time-dependent surface deformations on time scales from days to decades. Pyramid Adaptive Mesh Refinement Library is a software library that facilitates the generation of computational meshes for solving physical problems. In an application of GeoFEST(P), a computational grid can be dynamically adapted as stress grows on a fault. Simulations on workstations using a few tens of thousands of stress and displacement finite elements can now be expanded to multiple millions of elements with greater than 98-percent scaled efficiency on over many hundreds of parallel processors (see figure).

Full-scale locomotive dynamic crash testing and correlations : locomotive consist colliding with steel coil truck at grade crossing (test 3).

DOT National Transportation Integrated Search

2011-09-01

This report presents the test results and finite element correlations of a full-scale dynamic collision between a locomotive and a highway truck loaded with two heavy steel coils. The locomotive consist was moving at 58 miles per hour before it struc...

Analytical and experimental investigation of a 1/8-scale dynamic model of the shuttle orbiter. Volume 2: Technical report

NASA Technical Reports Server (NTRS)

Mason, P. W.; Harris, H. G.; Zalesak, J.; Bernstein, M.

1974-01-01

The methods and procedures used in the analysis and testing of the scale model are reported together with the correlation of the analytical and experimental results. The model, the NASTRAN finite element analysis, and results are discussed. Tests and analytical investigations are also reported.

Finite Element Model for Failure Study of Two-Dimensional Triaxially Braided Composite

NASA Technical Reports Server (NTRS)

Li, Xuetao; Binienda, Wieslaw K.; Goldberg, Robert K.

2010-01-01

A new three-dimensional finite element model of two-dimensional triaxially braided composites is presented in this paper. This meso-scale modeling technique is used to examine and predict the deformation and damage observed in tests of straight sided specimens. A unit cell based approach is used to take into account the braiding architecture as well as the mechanical properties of the fiber tows, the matrix and the fiber tow-matrix interface. A 0 deg / plus or minus 60 deg. braiding configuration has been investigated by conducting static finite element analyses. Failure initiation and progressive degradation has been simulated in the fiber tows by use of the Hashin failure criteria and a damage evolution law. The fiber tow-matrix interface was modeled by using a cohesive zone approach to capture any fiber-matrix debonding. By comparing the analytical results to those obtained experimentally, the applicability of the developed model was assessed and the failure process was investigated.

Crash Simulation of a Boeing 737 Fuselage Section Vertical Drop Test

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.; Jones, Yvonne T.; Frings, Gary; Vu, Tong

2004-01-01

A 30-ft/s vertical drop test of a fuselage section of a Boeing 737 aircraft was conducted in October of 1999 at the FAA Technical Center in Atlantic City, NJ. This test was performed to evaluate the structural integrity of a conformable auxiliary fuel tank mounted beneath the floor and to determine its effect on the impact response of the airframe structure and the occupants. The test data were used to compare with a finite element simulation of the fuselage structure and to gain a better understanding of the impact physics through analytical/experimental correlation. To perform this simulation, a full-scale 3-dimensional finite element model of the fuselage section was developed using the explicit, nonlinear transient-dynamic finite element code, MSC.Dytran. The emphasis of the simulation was to predict the structural deformation and floor-level acceleration responses obtained from the drop test of the B737 fuselage section with the auxiliary fuel tank.

Nonequilibrium dynamic critical scaling of the quantum Ising chain.

PubMed

Kolodrubetz, Michael; Clark, Bryan K; Huse, David A

2012-07-06

We solve for the time-dependent finite-size scaling functions of the one-dimensional transverse-field Ising chain during a linear-in-time ramp of the field through the quantum critical point. We then simulate Mott-insulating bosons in a tilted potential, an experimentally studied system in the same equilibrium universality class, and demonstrate that universality holds for the dynamics as well. We find qualitatively athermal features of the scaling functions, such as negative spin correlations, and we show that they should be robustly observable within present cold atom experiments.

On Multiscale Modeling: Preserving Energy Dissipation Across the Scales with Consistent Handshaking Methods

NASA Technical Reports Server (NTRS)

Pineda, Evan J.; Bednarcyk, Brett A.; Arnold, Steven M.; Waas, Anthony M.

2013-01-01

A mesh objective crack band model was implemented within the generalized method of cells micromechanics theory. This model was linked to a macroscale finite element model to predict post-peak strain softening in composite materials. Although a mesh objective theory was implemented at the microscale, it does not preclude pathological mesh dependence at the macroscale. To ensure mesh objectivity at both scales, the energy density and the energy release rate must be preserved identically across the two scales. This requires a consistent characteristic length or localization limiter. The effects of scaling (or not scaling) the dimensions of the microscale repeating unit cell (RUC), according to the macroscale element size, in a multiscale analysis was investigated using two examples. Additionally, the ramifications of the macroscale element shape, compared to the RUC, was studied.

Numerical computation of transonic flows by finite-element and finite-difference methods

NASA Technical Reports Server (NTRS)

Hafez, M. M.; Wellford, L. C.; Merkle, C. L.; Murman, E. M.

1978-01-01

Studies on applications of the finite element approach to transonic flow calculations are reported. Different discretization techniques of the differential equations and boundary conditions are compared. Finite element analogs of Murman's mixed type finite difference operators for small disturbance formulations were constructed and the time dependent approach (using finite differences in time and finite elements in space) was examined.

A combined molecular dynamics/micromechanics/finite element approach for multiscale constitutive modeling of nanocomposites with interface effects

NASA Astrophysics Data System (ADS)

Yang, B. J.; Shin, H.; Lee, H. K.; Kim, H.

2013-12-01

We introduce a multiscale framework based on molecular dynamic (MD) simulation, micromechanics, and finite element method (FEM). A micromechanical model, which considers influences of the interface properties, nanoparticle (NP) size, and microcracks, is developed. Then, we perform MD simulations to characterize the mechanical properties of the nanocomposite system (silica/nylon 6) with varying volume fraction and size of NPs. By comparing the MD with micromechanics results, intrinsic physical properties at interfacial region are derived. Finally, we implement the developed model in the FEM code with the derived interfacial parameters, and predict the mechanical behavior of the nanocomposite at the macroscopic scale.

Application of micropolar plasticity to post failure analysis in geomechanics

NASA Astrophysics Data System (ADS)

Manzari, Majid T.

2004-08-01

A micropolar elastoplastic model for soils is formulated and a series of finite element analyses are employed to demonstrate the use of a micropolar continuum in overcoming the numerical difficulties encountered in application of finite element method in standard Cauchy-Boltzmann continuum. Three examples of failure analysis involving a deep excavation, shallow foundation, and a retaining wall are presented. In all these cases, it is observed that the length scale introduced in the polar continuum regularizes the incremental boundary value problem and allows the numerical simulation to be continued until a clear collapse mechanism is achieved. The issue of grain size effect is also discussed. Copyright

Wakefield Computations for the CLIC PETS using the Parallel Finite Element Time-Domain Code T3P

DOE Office of Scientific and Technical Information (OSTI.GOV)

Candel, A; Kabel, A.; Lee, L.

In recent years, SLAC's Advanced Computations Department (ACD) has developed the high-performance parallel 3D electromagnetic time-domain code, T3P, for simulations of wakefields and transients in complex accelerator structures. T3P is based on advanced higher-order Finite Element methods on unstructured grids with quadratic surface approximation. Optimized for large-scale parallel processing on leadership supercomputing facilities, T3P allows simulations of realistic 3D structures with unprecedented accuracy, aiding the design of the next generation of accelerator facilities. Applications to the Compact Linear Collider (CLIC) Power Extraction and Transfer Structure (PETS) are presented.

Mesoscale Thermodynamic Analysis of Atomic-Scale Dislocation-Obstacle Interactions Simulated by Molecular Dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monet, Giath; Bacon, David J; Osetskiy, Yury N

2010-01-01

Given the time and length scales in molecular dynamics (MD) simulations of dislocation-defect interactions, quantitative MD results cannot be used directly in larger scale simulations or compared directly with experiment. A method to extract fundamental quantities from MD simulations is proposed here. The first quantity is a critical stress defined to characterise the obstacle resistance. This mesoscopic parameter, rather than the obstacle 'strength' designed for a point obstacle, is to be used for an obstacle of finite size. At finite temperature, our analyses of MD simulations allow the activation energy to be determined as a function of temperature. The resultsmore » confirm the proportionality between activation energy and temperature that is frequently observed by experiment. By coupling the data for the activation energy and the critical stress as functions of temperature, we show how the activation energy can be deduced at a given value of the critical stress.« less

Studies of finite element analysis of composite material structures

NASA Technical Reports Server (NTRS)

Douglas, D. O.; Holzmacher, D. E.; Lane, Z. C.; Thornton, E. A.

1975-01-01

Research in the area of finite element analysis is summarized. Topics discussed include finite element analysis of a picture frame shear test, BANSAP (a bandwidth reduction program for SAP IV), FEMESH (a finite element mesh generation program based on isoparametric zones), and finite element analysis of a composite bolted joint specimens.

An 8-node tetrahedral finite element suitable for explicit transient dynamic simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Key, S.W.; Heinstein, M.W.; Stone, C.M.

1997-12-31

Considerable effort has been expended in perfecting the algorithmic properties of 8-node hexahedral finite elements. Today the element is well understood and performs exceptionally well when used in modeling three-dimensional explicit transient dynamic events. However, the automatic generation of all-hexahedral meshes remains an elusive achievement. The alternative of automatic generation for all-tetrahedral finite element is a notoriously poor performer, and the 10-node quadratic tetrahedral finite element while a better performer numerically is computationally expensive. To use the all-tetrahedral mesh generation extant today, the authors have explored the creation of a quality 8-node tetrahedral finite element (a four-node tetrahedral finite elementmore » enriched with four midface nodal points). The derivation of the element`s gradient operator, studies in obtaining a suitable mass lumping and the element`s performance in applications are presented. In particular, they examine the 80node tetrahedral finite element`s behavior in longitudinal plane wave propagation, in transverse cylindrical wave propagation, and in simulating Taylor bar impacts. The element only samples constant strain states and, therefore, has 12 hourglass modes. In this regard, it bears similarities to the 8-node, mean-quadrature hexahedral finite element. Given automatic all-tetrahedral meshing, the 8-node, constant-strain tetrahedral finite element is a suitable replacement for the 8-node hexahedral finite element and handbuilt meshes.« less

Scaling up the precision in a ytterbium Bose-Einstein condensate interferometer

NASA Astrophysics Data System (ADS)

McAlpine, Katherine; Plotkin-Swing, Benjamin; Gochnauer, Daniel; Saxberg, Brendan; Gupta, Subhadeep

2016-05-01

We report on progress toward a high-precision ytterbium (Yb) Bose-Einstein condensate (BEC) interferometer, with the goal of measuring h/m and thus the fine structure constant α. Here h is Planck's constant and m is the mass of a Yb atom. The use of the non-magnetic Yb atom makes our experiment insensitive to magnetic field noise. Our chosen symmetric 3-path interferometer geometry suppresses errors from vibration, rotation, and acceleration. The precision scales with the phase accrued due to the kinetic energy difference between the interferometer arms, resulting in a quadratic sensitivity to the momentum difference. We are installing and testing the laser pulses for large momentum transfer via Bloch oscillations. We will report on Yb BEC production in a new apparatus and progress toward realizing the atom optical elements for high precision measurements. We will also discuss approaches to mitigate two important systematics: (i) atom interaction effects can be suppressed by creating the BEC in a dynamically shaped optical trap to reduce the density; (ii) diffraction phase effects from the various atom-optical elements can be accounted for through an analysis of the light-atom interaction for each pulse.

FAST TRACK COMMUNICATION: Spin waves in the (0, π) and (0, π, π) ordered SDW states of the t-t' Hubbard model: application to doped iron pnictides

NASA Astrophysics Data System (ADS)

Raghuvanshi, Nimisha; Singh, Avinash

2010-10-01

Spin waves in the (0, π) and (0, π, π) ordered spin-density-wave (SDW) states of the t-t' Hubbard model are investigated at finite doping. In the presence of small t', these composite ferro-antiferromagnetic (F-AF) states are found to be strongly stabilized at finite hole doping due to enhanced carrier-induced ferromagnetic spin couplings as in metallic ferromagnets. Anisotropic spin-wave velocities, a spin-wave energy scale of around 200 meV, reduced magnetic moment and rapid suppression of magnetic order with electron doping x (corresponding to F substitution of O atoms in LaO1 - xFxFeAs or Ni substitution of Fe atoms in BaFe2 - xNixAs2) obtained in this model are in agreement with observed magnetic properties of doped iron pnictides.

Atomistically derived cohesive zone model of intergranular fracture in polycrystalline graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guin, Laurent; Department of Mechanical Engineering, Columbia University, New York, New York 10027; Raphanel, Jean L.

2016-06-28

Pristine single crystal graphene is the strongest known two-dimensional material, and its nonlinear anisotropic mechanical properties are well understood from the atomic length scale up to a continuum description. However, experiments indicate that grain boundaries in the polycrystalline form reduce the mechanical behavior of polycrystalline graphene. Herein, we perform atomistic-scale molecular dynamics simulations of the deformation and fracture of graphene grain boundaries and express the results as continuum cohesive zone models (CZMs) that embed notions of the grain boundary ultimate strength and fracture toughness. To facilitate energy balance, we employ a new methodology that simulates a quasi-static controlled crack propagationmore » which renders the kinetic energy contribution to the total energy negligible. We verify good agreement between Griffith's critical energy release rate and the work of separation of the CZM, and we note that the energy of crack edges and fracture toughness differs by about 35%, which is attributed to the phenomenon of bond trapping. This justifies the implementation of the CZM within the context of the finite element method (FEM). To enhance computational efficiency in the FEM implementation, we discuss the use of scaled traction-separation laws (TSLs) for larger element sizes. As a final result, we have established that the failure characteristics of pristine graphene and high tilt angle bicrystals differ by less than 10%. This result suggests that one could use a unique or a few typical TSLs as a good approximation for the CZMs associated with the mechanical simulations of the polycrystalline graphene.« less

Large-eddy simulation using the finite element method

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCallen, R.C.; Gresho, P.M.; Leone, J.M. Jr.

1993-10-01

In a large-eddy simulation (LES) of turbulent flows, the large-scale motion is calculated explicitly (i.e., approximated with semi-empirical relations). Typically, finite difference or spectral numerical schemes are used to generate an LES; the use of finite element methods (FEM) has been far less prominent. In this study, we demonstrate that FEM in combination with LES provides a viable tool for the study of turbulent, separating channel flows, specifically the flow over a two-dimensional backward-facing step. The combination of these methodologies brings together the advantages of each: LES provides a high degree of accuracy with a minimum of empiricism for turbulencemore » modeling and FEM provides a robust way to simulate flow in very complex domains of practical interest. Such a combination should prove very valuable to the engineering community.« less

Patient-specific finite element modeling of bones.

PubMed

Poelert, Sander; Valstar, Edward; Weinans, Harrie; Zadpoor, Amir A

2013-04-01

Finite element modeling is an engineering tool for structural analysis that has been used for many years to assess the relationship between load transfer and bone morphology and to optimize the design and fixation of orthopedic implants. Due to recent developments in finite element model generation, for example, improved computed tomography imaging quality, improved segmentation algorithms, and faster computers, the accuracy of finite element modeling has increased vastly and finite element models simulating the anatomy and properties of an individual patient can be constructed. Such so-called patient-specific finite element models are potentially valuable tools for orthopedic surgeons in fracture risk assessment or pre- and intraoperative planning of implant placement. The aim of this article is to provide a critical overview of current themes in patient-specific finite element modeling of bones. In addition, the state-of-the-art in patient-specific modeling of bones is compared with the requirements for a clinically applicable patient-specific finite element method, and judgment is passed on the feasibility of application of patient-specific finite element modeling as a part of clinical orthopedic routine. It is concluded that further development in certain aspects of patient-specific finite element modeling are needed before finite element modeling can be used as a routine clinical tool.

Local Structures of High-Entropy Alloys (HEAs) on Atomic Scales: An Overview

DOE PAGES

Diao, Haoyan; Santodonato, Louis J.; Tang, Zhi; ...

2015-08-29

The high-entropy alloys (HEAs), containing several elements mixed in equimolar or near-equimolar ratios, have shown exceptional engineering properties. Local structures on atomic level are essential to understand the mechanical behaviors and related mechanisms. In this paper, the local structure and stress on the atomic level are reviewed by the pair-distribution function (PDF) of neutron-diffraction data, ab-initio-molecular-dynamics (AIMD) simulations, and atomic-probe microscopy (APT).

First-principles study of the binding energy between nanostructures and its scaling with system size

NASA Astrophysics Data System (ADS)

Tao, Jianmin; Jiao, Yang; Mo, Yuxiang; Yang, Zeng-Hui; Zhu, Jian-Xin; Hyldgaard, Per; Perdew, John P.

2018-04-01

The equilibrium van der Waals binding energy is an important factor in the design of materials and devices. However, it presents great computational challenges for materials built up from nanostructures. Here we investigate the binding-energy scaling behavior from first-principles calculations. We show that the equilibrium binding energy per atom between identical nanostructures can scale up or down with nanostructure size, but can be parametrized for large N with an analytical formula (in meV/atom), Eb/N =a +b /N +c /N2+d /N3 , where N is the number of atoms in a nanostructure and a , b , c , and d are fitting parameters, depending on the properties of a nanostructure. The formula is consistent with a finite large-size limit of binding energy per atom. We find that there are two competing factors in the determination of the binding energy: Nonadditivities of van der Waals coefficients and center-to-center distance between nanostructures. To decode the detail, the nonadditivity of the static multipole polarizability is investigated from an accurate spherical-shell model. We find that the higher-order multipole polarizability displays ultrastrong intrinsic nonadditivity, no matter if the dipole polarizability is additive or not.

Fluid-structure interaction in fast breeder reactors

NASA Astrophysics Data System (ADS)

Mitra, A. A.; Manik, D. N.; Chellapandi, P. A.

2004-05-01

A finite element model for the seismic analysis of a scaled down model of Fast breeder reactor (FBR) main vessel is proposed to be established. The reactor vessel, which is a large shell structure with a relatively thin wall, contains a large volume of sodium coolant. Therefore, the fluid structure interaction effects must be taken into account in the seismic design. As part of studying fluid-structure interaction, the fundamental frequency of vibration of a circular cylindrical shell partially filled with a liquid has been estimated using Rayleigh's method. The bulging and sloshing frequencies of the first four modes of the aforementioned system have been estimated using the Rayleigh-Ritz method. The finite element formulation of the axisymmetric fluid element with Fourier option (required due to seismic loading) is also presented.

Thermal Analysis of Small Re-Entry Probe

NASA Technical Reports Server (NTRS)

Agrawal, Parul; Prabhu, Dinesh K.; Chen, Y. K.

2012-01-01

The Small Probe Reentry Investigation for TPS Engineering (SPRITE) concept was developed at NASA Ames Research Center to facilitate arc-jet testing of a fully instrumented prototype probe at flight scale. Besides demonstrating the feasibility of testing a flight-scale model and the capability of an on-board data acquisition system, another objective for this project was to investigate the capability of simulation tools to predict thermal environments of the probe/test article and its interior. This paper focuses on finite-element thermal analyses of the SPRITE probe during the arcjet tests. Several iterations were performed during the early design phase to provide critical design parameters and guidelines for testing. The thermal effects of ablation and pyrolysis were incorporated into the final higher-fidelity modeling approach by coupling the finite-element analyses with a two-dimensional thermal protection materials response code. Model predictions show good agreement with thermocouple data obtained during the arcjet test.

A numerical formulation and algorithm for limit and shakedown analysis of large-scale elastoplastic structures

NASA Astrophysics Data System (ADS)

Peng, Heng; Liu, Yinghua; Chen, Haofeng

2018-05-01

In this paper, a novel direct method called the stress compensation method (SCM) is proposed for limit and shakedown analysis of large-scale elastoplastic structures. Without needing to solve the specific mathematical programming problem, the SCM is a two-level iterative procedure based on a sequence of linear elastic finite element solutions where the global stiffness matrix is decomposed only once. In the inner loop, the static admissible residual stress field for shakedown analysis is constructed. In the outer loop, a series of decreasing load multipliers are updated to approach to the shakedown limit multiplier by using an efficient and robust iteration control technique, where the static shakedown theorem is adopted. Three numerical examples up to about 140,000 finite element nodes confirm the applicability and efficiency of this method for two-dimensional and three-dimensional elastoplastic structures, with detailed discussions on the convergence and the accuracy of the proposed algorithm.

An Optimization Code for Nonlinear Transient Problems of a Large Scale Multidisciplinary Mathematical Model

NASA Astrophysics Data System (ADS)

Takasaki, Koichi

This paper presents a program for the multidisciplinary optimization and identification problem of the nonlinear model of large aerospace vehicle structures. The program constructs the global matrix of the dynamic system in the time direction by the p-version finite element method (pFEM), and the basic matrix for each pFEM node in the time direction is described by a sparse matrix similarly to the static finite element problem. The algorithm used by the program does not require the Hessian matrix of the objective function and so has low memory requirements. It also has a relatively low computational cost, and is suited to parallel computation. The program was integrated as a solver module of the multidisciplinary analysis system CUMuLOUS (Computational Utility for Multidisciplinary Large scale Optimization of Undense System) which is under development by the Aerospace Research and Development Directorate (ARD) of the Japan Aerospace Exploration Agency (JAXA).

Basilar membrane and reticular lamina motion in a multi-scale finite element model of the mouse cochlea

NASA Astrophysics Data System (ADS)

Soons, Joris; Dirckx, Joris; Steele, Charles; Puria, Sunil

2015-12-01

A multi-scale finite element (FE) model of the mouse cochlea, based on its anatomy and material properties is presented. The important feature in the model is a lattice of 400 Y-shaped structures in the longitudinal direction, each formed by Deiters cells, phalangeal processes and outer hair cells (OHC). OHC somatic motility is modeled by an expansion force proportional to the shear on the stereocilia, which in turn is proportional to the pressure difference between the scala vestibule and scala tympani. Basilar membrane (BM) and reticular lamina (RL) velocity compare qualitatively very well with recent in vivo measurements in guinea pig [2]. Compared to the BM, the RL is shown to have higher amplification and a shift to higher frequencies. This comes naturally from the realistic Y-shaped cell organization without tectorial membrane tuning.

Investigation of Micro-Scale Architectural Effects on Damage of Composites

NASA Technical Reports Server (NTRS)

Stier, Bertram; Bednarcyk, Brett A.; Simon, Jaan W.; Reese, Stefanie

2015-01-01

This paper presents a three-dimensional, energy based, anisotropic, stiffness reduction, progressive damage model for composite materials and composite material constituents. The model has been implemented as a user-defined constitutive model within the Abaqus finite element software package and applied to simulate the nonlinear behavior of a damaging epoxy matrix within a unidirectional composite material. Three different composite microstructures were considered as finite element repeating unit cells, with appropriate periodicity conditions applied at the boundaries. Results representing predicted transverse tensile, longitudinal shear, and transverse shear stress-strain curves are presented, along with plots of the local fields indicating the damage progression within the microstructure. It is demonstrated that the damage model functions appropriately at the matrix scale, enabling localization of the damage to simulate failure of the composite material. The influence of the repeating unit cell geometry and the effect of the directionality of the applied loading are investigated and discussed.

Preferential sites for InAsP/InP quantum wire nucleation using molecular dynamics

NASA Astrophysics Data System (ADS)

Nuñez-Moraleda, Bernardo; Pizarro, Joaquin; Guerrero, Elisa; Guerrero-Lebrero, Maria P.; Yáñez, Andres; Molina, Sergio Ignacio; Galindo, Pedro Luis

2014-11-01

In this paper, stress fields at the surface of the capping layer of self-assembled InAsP quantum wires grown on an InP (001) substrate have been determined from atomistic models using molecular dynamics and Stillinger-Weber potentials. To carry out these calculations, the quantum wire compositional distribution was extracted from previous works, where the As and P distributions were determined by electron energy loss spectroscopy and high-resolution aberration-corrected Z-contrast imaging. Preferential sites for the nucleation of wires on the surface of the capping layer were studied and compared with (i) previous simulations using finite element analysis to solve anisotropic elastic theory equations and (ii) experimentally measured locations of stacked wires. Preferential nucleation sites of stacked wires were determined by the maximum stress location at the MD model surface in good agreement with experimental results and those derived from finite element analysis. This indicates that MD simulations based on empirical potentials provide a suitable and flexible tool to study strain dependent atom processes.

A high-performance magnetic shield with large length-to-diameter ratio.

PubMed

Dickerson, Susannah; Hogan, Jason M; Johnson, David M S; Kovachy, Tim; Sugarbaker, Alex; Chiow, Sheng-wey; Kasevich, Mark A

2012-06-01

We have demonstrated a 100-fold improvement in the magnetic field uniformity on the axis of a large aspect ratio, cylindrical, mumetal magnetic shield by reducing discontinuities in the material of the shield through the welding and re-annealing of a segmented shield. The three-layer shield reduces Earth's magnetic field along an 8 m region to 420 μG (rms) in the axial direction, and 460 and 730 μG (rms) in the two transverse directions. Each cylindrical shield is a continuous welded tube which has been annealed after manufacture and degaussed in the apparatus. We present both experiments and finite element analysis that show the importance of uniform shield material for large aspect ratio shields, favoring a welded design over a segmented design. In addition, we present finite element results demonstrating the smoothing of spatial variations in the applied magnetic field by cylindrical magnetic shields. Such homogenization is a potentially useful feature for precision atom interferometric measurements.

Finite element structural redesign by large admissible perturbations

NASA Technical Reports Server (NTRS)

Bernitsas, Michael M.; Beyko, E.; Rim, C. W.; Alzahabi, B.

1991-01-01

In structural redesign, two structural states are involved; the baseline (known) State S1 with unacceptable performance, and the objective (unknown) State S2 with given performance specifications. The difference between the two states in performance and design variables may be as high as 100 percent or more depending on the scale of the structure. A Perturbation Approach to Redesign (PAR) is presented to relate any two structural states S1 and S2 that are modeled by the same finite element model and represented by different values of the design variables. General perturbation equations are derived expressing implicitly the natural frequencies, dynamic modes, static deflections, static stresses, Euler buckling loads, and buckling modes of the objective S2 in terms of its performance specifications, and S1 data and Finite Element Analysis (FEA) results. Large Admissible Perturbation (LEAP) algorithms are implemented in code RESTRUCT to define the objective S2 incrementally without trial and error by postprocessing FEA results of S1 with no additional FEAs. Systematic numerical applications in redesign of a 10 element 48 degree of freedom (dof) beam, a 104 element 192 dof offshore tower, a 64 element 216 dof plate, and a 144 element 896 dof cylindrical shell show the accuracy, efficiency, and potential of PAR to find an objective state that may differ 100 percent from the baseline design.

Improved finite element methodology for integrated thermal structural analysis

NASA Technical Reports Server (NTRS)

Dechaumphai, P.; Thornton, E. A.

1982-01-01

An integrated thermal-structural finite element approach for efficient coupling of thermal and structural analysis is presented. New thermal finite elements which yield exact nodal and element temperatures for one dimensional linear steady state heat transfer problems are developed. A nodeless variable formulation is used to establish improved thermal finite elements for one dimensional nonlinear transient and two dimensional linear transient heat transfer problems. The thermal finite elements provide detailed temperature distributions without using additional element nodes and permit a common discretization with lower order congruent structural finite elements. The accuracy of the integrated approach is evaluated by comparisons with analytical solutions and conventional finite element thermal structural analyses for a number of academic and more realistic problems. Results indicate that the approach provides a significant improvement in the accuracy and efficiency of thermal stress analysis for structures with complex temperature distributions.

A Dynamic Finite Element Method for Simulating the Physics of Faults Systems

NASA Astrophysics Data System (ADS)

Saez, E.; Mora, P.; Gross, L.; Weatherley, D.

2004-12-01

We introduce a dynamic Finite Element method using a novel high level scripting language to describe the physical equations, boundary conditions and time integration scheme. The library we use is the parallel Finley library: a finite element kernel library, designed for solving large-scale problems. It is incorporated as a differential equation solver into a more general library called escript, based on the scripting language Python. This library has been developed to facilitate the rapid development of 3D parallel codes, and is optimised for the Australian Computational Earth Systems Simulator Major National Research Facility (ACcESS MNRF) supercomputer, a 208 processor SGI Altix with a peak performance of 1.1 TFlops. Using the scripting approach we obtain a parallel FE code able to take advantage of the computational efficiency of the Altix 3700. We consider faults as material discontinuities (the displacement, velocity, and acceleration fields are discontinuous at the fault), with elastic behavior. The stress continuity at the fault is achieved naturally through the expression of the fault interactions in the weak formulation. The elasticity problem is solved explicitly in time, using the Saint Verlat scheme. Finally, we specify a suitable frictional constitutive relation and numerical scheme to simulate fault behaviour. Our model is based on previous work on modelling fault friction and multi-fault systems using lattice solid-like models. We adapt the 2D model for simulating the dynamics of parallel fault systems described to the Finite-Element method. The approach uses a frictional relation along faults that is slip and slip-rate dependent, and the numerical integration approach introduced by Mora and Place in the lattice solid model. In order to illustrate the new Finite Element model, single and multi-fault simulation examples are presented.

Energy Finite Element Analysis for Computing the High Frequency Vibration of the Aluminum Testbed Cylinder and Correlating the Results to Test Data

NASA Technical Reports Server (NTRS)

Vlahopoulos, Nickolas

2005-01-01

The Energy Finite Element Analysis (EFEA) is a finite element based computational method for high frequency vibration and acoustic analysis. The EFEA solves with finite elements governing differential equations for energy variables. These equations are developed from wave equations. Recently, an EFEA method for computing high frequency vibration of structures either in vacuum or in contact with a dense fluid has been presented. The presence of fluid loading has been considered through added mass and radiation damping. The EFEA developments were validated by comparing EFEA results to solutions obtained by very dense conventional finite element models and solutions from classical techniques such as statistical energy analysis (SEA) and the modal decomposition method for bodies of revolution. EFEA results have also been compared favorably with test data for the vibration and the radiated noise generated by a large scale submersible vehicle. The primary variable in EFEA is defined as the time averaged over a period and space averaged over a wavelength energy density. A joint matrix computed from the power transmission coefficients is utilized for coupling the energy density variables across any discontinuities, such as change of plate thickness, plate/stiffener junctions etc. When considering the high frequency vibration of a periodically stiffened plate or cylinder, the flexural wavelength is smaller than the interval length between two periodic stiffeners, therefore the stiffener stiffness can not be smeared by computing an equivalent rigidity for the plate or cylinder. The periodic stiffeners must be regarded as coupling components between periodic units. In this paper, Periodic Structure (PS) theory is utilized for computing the coupling joint matrix and for accounting for the periodicity characteristics.

Computational mechanics of viral capsids.

PubMed

Gibbons, Melissa M; Perotti, Luigi E; Klug, William S

2015-01-01

Viral capsids undergo significant mechanical deformations during their assembly, maturation, and infective life-span. In order to characterize the mechanics of viral capsids, their response to applied external forces is analyzed in several experimental studies using, for instance, Atomic Force Microscope (AFM) indentation experiments. In recent years, a broader approach to study the mechanics of viral capsids has leveraged the theoretical tools proper of continuum mechanics. Even though the theory of continuum elasticity is most commonly used to study deformable bodies at larger macroscopic length scales, it has been shown that this very rich theoretical field can still offer useful insights into the mechanics of viral structures at the nanometer scale. Here we show the construction of viral capsid continuum mechanics models starting from different forms of experimental data. We will discuss the kinematics assumptions, the issue of the reference configuration, the material constitutive laws, and the numerical discretization necessary to construct a complete Finite Element capsid mechanical model. Some examples in the second part of the chapter will show the predictive capabilities of the constructed models and underline useful practical aspects related to efficiency and accuracy. We conclude each example by collecting several key findings discovered by simulating AFM indentation experiments using the constructed numerical models.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Gian; Sun, Zhiqian; Li, Lin

There have been numerous efforts to develop creep-resistant materials strengthened by incoherent particles at high temperatures and stresses in response to future energy needs for steam turbines in thermal-power plants. However, the microstructural instability of the incoherent-particle-strengthened ferritic steels limits their application to temperatures below 900 K. Here, we report a novel ferritic alloy with the excellent creep resistance enhanced by coherent hierarchical precipitates, using the integrated experimental (transmission-electron microscopy/scanning-transmission-electron microscopy, in-situ neutron diffraction, and atom-probe tomography) and theoretical (crystal-plasticity finite-element modeling) approaches. This alloy is strengthened by nano-scaled L21-Ni2TiAl (Heusler phase)-based precipitates, which themselves contain coherent nano-scaled B2 zones.more » These coherent hierarchical precipitates are uniformly distributed within the Fe matrix. Our hierarchical structure material exhibits the superior creep resistance at 973 K in terms of the minimal creep rate, which is four orders of magnitude lower than that of conventional ferritic steels. These results provide a new alloy-design strategy using the novel concept of hierarchical precipitates and the fundamental science for developing creep-resistant ferritic alloys. Finally, the present research will broaden the applications of ferritic alloys to higher temperatures.« less

EIT Imaging Regularization Based on Spectral Graph Wavelets.

PubMed

Gong, Bo; Schullcke, Benjamin; Krueger-Ziolek, Sabine; Vauhkonen, Marko; Wolf, Gerhard; Mueller-Lisse, Ullrich; Moeller, Knut

2017-09-01

The objective of electrical impedance tomographic reconstruction is to identify the distribution of tissue conductivity from electrical boundary conditions. This is an ill-posed inverse problem usually solved under the finite-element method framework. In previous studies, standard sparse regularization was used for difference electrical impedance tomography to achieve a sparse solution. However, regarding elementwise sparsity, standard sparse regularization interferes with the smoothness of conductivity distribution between neighboring elements and is sensitive to noise. As an effect, the reconstructed images are spiky and depict a lack of smoothness. Such unexpected artifacts are not realistic and may lead to misinterpretation in clinical applications. To eliminate such artifacts, we present a novel sparse regularization method that uses spectral graph wavelet transforms. Single-scale or multiscale graph wavelet transforms are employed to introduce local smoothness on different scales into the reconstructed images. The proposed approach relies on viewing finite-element meshes as undirected graphs and applying wavelet transforms derived from spectral graph theory. Reconstruction results from simulations, a phantom experiment, and patient data suggest that our algorithm is more robust to noise and produces more reliable images.

Assessing a mini-application as a performance proxy for a finite element method engineering application

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Paul T.; Heroux, Michael A.; Barrett, Richard F.

The performance of a large-scale, production-quality science and engineering application (‘app’) is often dominated by a small subset of the code. Even within that subset, computational and data access patterns are often repeated, so that an even smaller portion can represent the performance-impacting features. If application developers, parallel computing experts, and computer architects can together identify this representative subset and then develop a small mini-application (‘miniapp’) that can capture these primary performance characteristics, then this miniapp can be used to both improve the performance of the app as well as provide a tool for co-design for the high-performance computing community.more » However, a critical question is whether a miniapp can effectively capture key performance behavior of an app. This study provides a comparison of an implicit finite element semiconductor device modeling app on unstructured meshes with an implicit finite element miniapp on unstructured meshes. The goal is to assess whether the miniapp is predictive of the performance of the app. Finally, single compute node performance will be compared, as well as scaling up to 16,000 cores. Results indicate that the miniapp can be reasonably predictive of the performance characteristics of the app for a single iteration of the solver on a single compute node.« less

On the use of finite difference matrix-vector products in Newton-Krylov solvers for implicit climate dynamics with spectral elements

DOE PAGES

Woodward, Carol S.; Gardner, David J.; Evans, Katherine J.

2015-01-01

Efficient solutions of global climate models require effectively handling disparate length and time scales. Implicit solution approaches allow time integration of the physical system with a step size governed by accuracy of the processes of interest rather than by stability of the fastest time scales present. Implicit approaches, however, require the solution of nonlinear systems within each time step. Usually, a Newton's method is applied to solve these systems. Each iteration of the Newton's method, in turn, requires the solution of a linear model of the nonlinear system. This model employs the Jacobian of the problem-defining nonlinear residual, but thismore » Jacobian can be costly to form. If a Krylov linear solver is used for the solution of the linear system, the action of the Jacobian matrix on a given vector is required. In the case of spectral element methods, the Jacobian is not calculated but only implemented through matrix-vector products. The matrix-vector multiply can also be approximated by a finite difference approximation which may introduce inaccuracy in the overall nonlinear solver. In this paper, we review the advantages and disadvantages of finite difference approximations of these matrix-vector products for climate dynamics within the spectral element shallow water dynamical core of the Community Atmosphere Model.« less

Assessing a mini-application as a performance proxy for a finite element method engineering application

DOE PAGES

Lin, Paul T.; Heroux, Michael A.; Barrett, Richard F.; ...

2015-07-30

The performance of a large-scale, production-quality science and engineering application (‘app’) is often dominated by a small subset of the code. Even within that subset, computational and data access patterns are often repeated, so that an even smaller portion can represent the performance-impacting features. If application developers, parallel computing experts, and computer architects can together identify this representative subset and then develop a small mini-application (‘miniapp’) that can capture these primary performance characteristics, then this miniapp can be used to both improve the performance of the app as well as provide a tool for co-design for the high-performance computing community.more » However, a critical question is whether a miniapp can effectively capture key performance behavior of an app. This study provides a comparison of an implicit finite element semiconductor device modeling app on unstructured meshes with an implicit finite element miniapp on unstructured meshes. The goal is to assess whether the miniapp is predictive of the performance of the app. Finally, single compute node performance will be compared, as well as scaling up to 16,000 cores. Results indicate that the miniapp can be reasonably predictive of the performance characteristics of the app for a single iteration of the solver on a single compute node.« less

Large-scale 3D geoelectromagnetic modeling using parallel adaptive high-order finite element method

DOE PAGES

Grayver, Alexander V.; Kolev, Tzanio V.

2015-11-01

Here, we have investigated the use of the adaptive high-order finite-element method (FEM) for geoelectromagnetic modeling. Because high-order FEM is challenging from the numerical and computational points of view, most published finite-element studies in geoelectromagnetics use the lowest order formulation. Solution of the resulting large system of linear equations poses the main practical challenge. We have developed a fully parallel and distributed robust and scalable linear solver based on the optimal block-diagonal and auxiliary space preconditioners. The solver was found to be efficient for high finite element orders, unstructured and nonconforming locally refined meshes, a wide range of frequencies, largemore » conductivity contrasts, and number of degrees of freedom (DoFs). Furthermore, the presented linear solver is in essence algebraic; i.e., it acts on the matrix-vector level and thus requires no information about the discretization, boundary conditions, or physical source used, making it readily efficient for a wide range of electromagnetic modeling problems. To get accurate solutions at reduced computational cost, we have also implemented goal-oriented adaptive mesh refinement. The numerical tests indicated that if highly accurate modeling results were required, the high-order FEM in combination with the goal-oriented local mesh refinement required less computational time and DoFs than the lowest order adaptive FEM.« less

Large-scale 3D geoelectromagnetic modeling using parallel adaptive high-order finite element method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grayver, Alexander V.; Kolev, Tzanio V.

Here, we have investigated the use of the adaptive high-order finite-element method (FEM) for geoelectromagnetic modeling. Because high-order FEM is challenging from the numerical and computational points of view, most published finite-element studies in geoelectromagnetics use the lowest order formulation. Solution of the resulting large system of linear equations poses the main practical challenge. We have developed a fully parallel and distributed robust and scalable linear solver based on the optimal block-diagonal and auxiliary space preconditioners. The solver was found to be efficient for high finite element orders, unstructured and nonconforming locally refined meshes, a wide range of frequencies, largemore » conductivity contrasts, and number of degrees of freedom (DoFs). Furthermore, the presented linear solver is in essence algebraic; i.e., it acts on the matrix-vector level and thus requires no information about the discretization, boundary conditions, or physical source used, making it readily efficient for a wide range of electromagnetic modeling problems. To get accurate solutions at reduced computational cost, we have also implemented goal-oriented adaptive mesh refinement. The numerical tests indicated that if highly accurate modeling results were required, the high-order FEM in combination with the goal-oriented local mesh refinement required less computational time and DoFs than the lowest order adaptive FEM.« less

Atomic scale imaging of magnetic circular dichroism by achromatic electron microscopy.

PubMed

Wang, Zechao; Tavabi, Amir H; Jin, Lei; Rusz, Ján; Tyutyunnikov, Dmitry; Jiang, Hanbo; Moritomo, Yutaka; Mayer, Joachim; Dunin-Borkowski, Rafal E; Yu, Rong; Zhu, Jing; Zhong, Xiaoyan

2018-03-01

In order to obtain a fundamental understanding of the interplay between charge, spin, orbital and lattice degrees of freedom in magnetic materials and to predict and control their physical properties 1-3 , experimental techniques are required that are capable of accessing local magnetic information with atomic-scale spatial resolution. Here, we show that a combination of electron energy-loss magnetic chiral dichroism 4 and chromatic-aberration-corrected transmission electron microscopy, which reduces the focal spread of inelastically scattered electrons by orders of magnitude when compared with the use of spherical aberration correction alone, can achieve atomic-scale imaging of magnetic circular dichroism and provide element-selective orbital and spin magnetic moments atomic plane by atomic plane. This unique capability, which we demonstrate for Sr 2 FeMoO 6 , opens the door to local atomic-level studies of spin configurations in a multitude of materials that exhibit different types of magnetic coupling, thereby contributing to a detailed understanding of the physical origins of magnetic properties of materials at the highest spatial resolution.

A Comparison of Spectral Element and Finite Difference Methods Using Statically Refined Nonconforming Grids for the MHD Island Coalescence Instability Problem

NASA Astrophysics Data System (ADS)

Ng, C. S.; Rosenberg, D.; Pouquet, A.; Germaschewski, K.; Bhattacharjee, A.

2009-04-01

A recently developed spectral-element adaptive refinement incompressible magnetohydrodynamic (MHD) code [Rosenberg, Fournier, Fischer, Pouquet, J. Comp. Phys. 215, 59-80 (2006)] is applied to simulate the problem of MHD island coalescence instability (\\ci) in two dimensions. \\ci is a fundamental MHD process that can produce sharp current layers and subsequent reconnection and heating in a high-Lundquist number plasma such as the solar corona [Ng and Bhattacharjee, Phys. Plasmas, 5, 4028 (1998)]. Due to the formation of thin current layers, it is highly desirable to use adaptively or statically refined grids to resolve them, and to maintain accuracy at the same time. The output of the spectral-element static adaptive refinement simulations are compared with simulations using a finite difference method on the same refinement grids, and both methods are compared to pseudo-spectral simulations with uniform grids as baselines. It is shown that with the statically refined grids roughly scaling linearly with effective resolution, spectral element runs can maintain accuracy significantly higher than that of the finite difference runs, in some cases achieving close to full spectral accuracy.

Nonlinear transient analysis by energy minimization: A theoretical basis for the ACTION computer code. [predicting the response of a lightweight aircraft during a crash

NASA Technical Reports Server (NTRS)

Kamat, M. P.

1980-01-01

The formulation basis for establishing the static or dynamic equilibrium configurations of finite element models of structures which may behave in the nonlinear range are provided. With both geometric and time independent material nonlinearities included, the development is restricted to simple one and two dimensional finite elements which are regarded as being the basic elements for modeling full aircraft-like structures under crash conditions. Representations of a rigid link and an impenetrable contact plane are added to the deformation model so that any number of nodes of the finite element model may be connected by a rigid link or may contact the plane. Equilibrium configurations are derived as the stationary conditions of a potential function of the generalized nodal variables of the model. Minimization of the nonlinear potential function is achieved by using the best current variable metric update formula for use in unconstrained minimization. Powell's conjugate gradient algorithm, which offers very low storage requirements at some slight increase in the total number of calculations, is the other alternative algorithm to be used for extremely large scale problems.

Ultimate limits for quantum magnetometry via time-continuous measurements

NASA Astrophysics Data System (ADS)

Albarelli, Francesco; Rossi, Matteo A. C.; Paris, Matteo G. A.; Genoni, Marco G.

2017-12-01

We address the estimation of the magnetic field B acting on an ensemble of atoms with total spin J subjected to collective transverse noise. By preparing an initial spin coherent state, for any measurement performed after the evolution, the mean-square error of the estimate is known to scale as 1/J, i.e. no quantum enhancement is obtained. Here, we consider the possibility of continuously monitoring the atomic environment, and conclusively show that strategies based on time-continuous non-demolition measurements followed by a final strong measurement may achieve Heisenberg-limited scaling 1/{J}2 and also a monitoring-enhanced scaling in terms of the interrogation time. We also find that time-continuous schemes are robust against detection losses, as we prove that the quantum enhancement can be recovered also for finite measurement efficiency. Finally, we analytically prove the optimality of our strategy.

A fully coupled method for massively parallel simulation of hydraulically driven fractures in 3-dimensions: FULLY COUPLED PARALLEL SIMULATION OF HYDRAULIC FRACTURES IN 3-D

DOE PAGES

Settgast, Randolph R.; Fu, Pengcheng; Walsh, Stuart D. C.; ...

2016-09-18

This study describes a fully coupled finite element/finite volume approach for simulating field-scale hydraulically driven fractures in three dimensions, using massively parallel computing platforms. The proposed method is capable of capturing realistic representations of local heterogeneities, layering and natural fracture networks in a reservoir. A detailed description of the numerical implementation is provided, along with numerical studies comparing the model with both analytical solutions and experimental results. The results demonstrate the effectiveness of the proposed method for modeling large-scale problems involving hydraulically driven fractures in three dimensions.

A fully coupled method for massively parallel simulation of hydraulically driven fractures in 3-dimensions: FULLY COUPLED PARALLEL SIMULATION OF HYDRAULIC FRACTURES IN 3-D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Settgast, Randolph R.; Fu, Pengcheng; Walsh, Stuart D. C.

This study describes a fully coupled finite element/finite volume approach for simulating field-scale hydraulically driven fractures in three dimensions, using massively parallel computing platforms. The proposed method is capable of capturing realistic representations of local heterogeneities, layering and natural fracture networks in a reservoir. A detailed description of the numerical implementation is provided, along with numerical studies comparing the model with both analytical solutions and experimental results. The results demonstrate the effectiveness of the proposed method for modeling large-scale problems involving hydraulically driven fractures in three dimensions.

A general algorithm using finite element method for aerodynamic configurations at low speeds

NASA Technical Reports Server (NTRS)

Balasubramanian, R.

1975-01-01

A finite element algorithm for numerical simulation of two-dimensional, incompressible, viscous flows was developed. The Navier-Stokes equations are suitably modelled to facilitate direct solution for the essential flow parameters. A leap-frog time differencing and Galerkin minimization of these model equations yields the finite element algorithm. The finite elements are triangular with bicubic shape functions approximating the solution space. The finite element matrices are unsymmetrically banded to facilitate savings in storage. An unsymmetric L-U decomposition is performed on the finite element matrices to obtain the solution for the boundary value problem.

Development of a Aerothermoelastic-Acoustics Simulation Capability of Flight Vehicles

NASA Technical Reports Server (NTRS)

Gupta, K. K.; Choi, S. B.; Ibrahim, A.

2010-01-01

A novel numerical, finite element based analysis methodology is presented in this paper suitable for accurate and efficient simulation of practical, complex flight vehicles. An associated computer code, developed in this connection, is also described in some detail. Thermal effects of high speed flow obtained from a heat conduction analysis are incorporated in the modal analysis which in turn affects the unsteady flow arising out of interaction of elastic structures with the air. Numerical examples pertaining to representative problems are given in much detail testifying to the efficacy of the advocated techniques. This is a unique implementation of temperature effects in a finite element CFD based multidisciplinary simulation analysis capability involving large scale computations.

Computational optical palpation: a finite-element approach to micro-scale tactile imaging using a compliant sensor

PubMed Central

Sampson, David D.; Kennedy, Brendan F.

2017-01-01

High-resolution tactile imaging, superior to the sense of touch, has potential for future biomedical applications such as robotic surgery. In this paper, we propose a tactile imaging method, termed computational optical palpation, based on measuring the change in thickness of a thin, compliant layer with optical coherence tomography and calculating tactile stress using finite-element analysis. We demonstrate our method on test targets and on freshly excised human breast fibroadenoma, demonstrating a resolution of up to 15–25 µm and a field of view of up to 7 mm. Our method is open source and readily adaptable to other imaging modalities, such as ultrasonography and confocal microscopy. PMID:28250098

Probing the effect of electron channelling on atomic resolution energy dispersive X-ray quantification.

PubMed

MacArthur, Katherine E; Brown, Hamish G; Findlay, Scott D; Allen, Leslie J

2017-11-01

Advances in microscope stability, aberration correction and detector design now make it readily possible to achieve atomic resolution energy dispersive X-ray mapping for dose resilient samples. These maps show impressive atomic-scale qualitative detail as to where the elements reside within a given sample. Unfortunately, while electron channelling is exploited to provide atomic resolution data, this very process makes the images rather more complex to interpret quantitatively than if no electron channelling occurred. Here we propose small sample tilt as a means for suppressing channelling and improving quantification of composition, whilst maintaining atomic-scale resolution. Only by knowing composition and thickness of the sample is it possible to determine the atomic configuration within each column. The effects of neighbouring atomic columns with differing composition and of residual channelling on our ability to extract exact column-by-column composition are also discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

Improving a complex finite-difference ground water flow model through the use of an analytic element screening model

USGS Publications Warehouse

Hunt, R.J.; Anderson, M.P.; Kelson, V.A.

1998-01-01

This paper demonstrates that analytic element models have potential as powerful screening tools that can facilitate or improve calibration of more complicated finite-difference and finite-element models. We demonstrate how a two-dimensional analytic element model was used to identify errors in a complex three-dimensional finite-difference model caused by incorrect specification of boundary conditions. An improved finite-difference model was developed using boundary conditions developed from a far-field analytic element model. Calibration of a revised finite-difference model was achieved using fewer zones of hydraulic conductivity and lake bed conductance than the original finite-difference model. Calibration statistics were also improved in that simulated base-flows were much closer to measured values. The improved calibration is due mainly to improved specification of the boundary conditions made possible by first solving the far-field problem with an analytic element model.This paper demonstrates that analytic element models have potential as powerful screening tools that can facilitate or improve calibration of more complicated finite-difference and finite-element models. We demonstrate how a two-dimensional analytic element model was used to identify errors in a complex three-dimensional finite-difference model caused by incorrect specification of boundary conditions. An improved finite-difference model was developed using boundary conditions developed from a far-field analytic element model. Calibration of a revised finite-difference model was achieved using fewer zones of hydraulic conductivity and lake bed conductance than the original finite-difference model. Calibration statistics were also improved in that simulated base-flows were much closer to measured values. The improved calibration is due mainly to improved specification of the boundary conditions made possible by first solving the far-field problem with an analytic element model.

Final Report: Multi-Scale Analysis of Deformation and Failure in Polycrystalline Titanium Alloys Under High Strain-Rates

DTIC Science & Technology

2015-12-28

Masoud Anahid, Mahendra K. Samal , and Somnath Ghosh. Dwell fatigue crack nucleation model based on crystal plasticity finite element simulations of...induced crack nucleation in polycrystals. Model. Simul. Mater. Sci. Eng., 17, 064009. 19. Anahid, M., Samal , M. K. & Ghosh, S. (2011). Dwell fatigue...Jour. Plas., 24:428–454, 2008. 4. M. Anahid, M. K. Samal , and S. Ghosh. Dwell fatigue crack nucleation model based on crystal plasticity finite

Analysis of full-scale tank car shell impact tests

DOT National Transportation Integrated Search

2007-09-11

This paper describes analyses of a railroad tank car : impacted at its side by a ram car with a rigid punch. This : generalized collision, referred to as a shell impact, is examined : using nonlinear finite element analysis (FEA) and threedimensional...

Finite element analysis and full-scale testing of locomotive crashworthy components

DOT National Transportation Integrated Search

2013-04-15

The Office of Research and Development of the Federal Railroad Administration (FRA) and the Volpe Center are continuing to evaluate new technologies for increasing the safety of passengers and operators in rail equipment. In recognition of the import...

Structural assessment of highway "N" power substation under earthquake loads.

DOT National Transportation Integrated Search

2009-10-01

In this study, the Highway N Substation was analyzed with a finite element model (FEM) for its vulnerability. The rigid bus and electric switch components were characterized with full scale shake table tests. Each component of the substation wa...

Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks.

PubMed

Saravanan, Chandra; Shao, Yihan; Baer, Roi; Ross, Philip N; Head-Gordon, Martin

2003-04-15

A sparse matrix multiplication scheme with multiatom blocks is reported, a tool that can be very useful for developing linear-scaling methods with atom-centered basis functions. Compared to conventional element-by-element sparse matrix multiplication schemes, efficiency is gained by the use of the highly optimized basic linear algebra subroutines (BLAS). However, some sparsity is lost in the multiatom blocking scheme because these matrix blocks will in general contain negligible elements. As a result, an optimal block size that minimizes the CPU time by balancing these two effects is recovered. In calculations on linear alkanes, polyglycines, estane polymers, and water clusters the optimal block size is found to be between 40 and 100 basis functions, where about 55-75% of the machine peak performance was achieved on an IBM RS6000 workstation. In these calculations, the blocked sparse matrix multiplications can be 10 times faster than a standard element-by-element sparse matrix package. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 618-622, 2003

Atomic weights of the elements--Review 2000 (IUPAC Technical Report)

USGS Publications Warehouse

de Laeter, John R.; Böhlke, John Karl; De Bièvre, P.; Hidaka, H.; Peiser, H.S.; Rosman, K.J.R.; Taylor, P.D.P.

2003-01-01

A consistent set of internationally accepted atomic weights has long been an essential aim of the scientific community because of the relevance of these values to science and technology, as well as to trade and commerce subject to ethical, legal, and international standards. The standard atomic weights of the elements are regularly evaluated, recommended, and published in updated tables by the Commission on Atomic Weights and Isotopic Abundances (CAWIA) of the International Union of Pure and Applied Chemistry (IUPAC). These values are invariably associated with carefully evaluated uncertainties. Atomic weights were originally determined by mass ratio measurements coupled with an understanding of chemical stoichiometry, but are now based almost exclusively on knowledge of the isotopic composition (derived from isotope-abundance ratio measurements) and the atomic masses of the isotopes of the elements. Atomic weights and atomic masses are now scaled to a numerical value of exactly 12 for the mass of the carbon isotope of mass number 12. Technological advances in mass spectrometry and nuclear-reaction energies have enabled atomic masses to be determined with a relative uncertainty of better than 1 ×10−7 . Isotope abundances for an increasing number of elements can be measured to better than 1 ×10−3 . The excellent precision of such measurements led to the discovery that many elements, in different specimens, display significant variations in their isotope-abundance ratios, caused by a variety of natural and industrial physicochemical processes. While such variations increasingly place a constraint on the uncertainties with which some standard atomic weights can be stated, they provide numerous opportunities for investigating a range of important phenomena in physical, chemical, cosmological, biological, and industrial processes. This review reflects the current and increasing interest of science in the measured differences between source-specific and even sample-specific atomic weights. These relative comparisons can often be made with a smaller uncertainty than is achieved in the best calibrated “absolute ” (=SI-traceable) atomic-weight determinations. Accurate determinations of the atomic weights of certain elements also influence the values of fundamental constants such as the Avogadro, Faraday, and universal gas constants. This review is in two parts: the first summarizes the development of the science of atomic-weight determinations during the 20th century; the second summarizes the changes and variations that have been recognized in the values and uncertainties of atomic weights, on an element-by-element basis, in the latter part of the 20th century.

Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lim, Hojun; Dingreville, Rémi; Deibler, Lisa A.

In this research, a crystal plasticity-finite element (CP-FE) model is used to investigate the effects of microstructural variability at a notch tip in tantalum single crystals and polycrystals. It is shown that at the macroscopic scale, the mechanical response of single crystals is sensitive to the crystallographic orientation while the response of polycrystals shows relatively small susceptibility to it. However, at the microscopic scale, the local stress and strain fields in the vicinity of the crack tip are completely determined by the local crystallographic orientation at the crack tip for both single and polycrystalline specimens with similar mechanical field distributions.more » Variability in the local metrics used (maximum von Mises stress and equivalent plastic strain at 3% deformation) for 100 different realizations of polycrystals fluctuates by up to a factor of 2–7 depending on the local crystallographic texture. Comparison with experimental data shows that the CP model captures variability in stress–strain response of polycrystals that can be attributed to the grain-scale microstructural variability. In conclusion, this work provides a convenient approach to investigate fluctuations in the mechanical behavior of polycrystalline materials induced by grain morphology and crystallographic orientations.« less

Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations

DOE PAGES

Lim, Hojun; Dingreville, Rémi; Deibler, Lisa A.; ...

2016-02-27

In this research, a crystal plasticity-finite element (CP-FE) model is used to investigate the effects of microstructural variability at a notch tip in tantalum single crystals and polycrystals. It is shown that at the macroscopic scale, the mechanical response of single crystals is sensitive to the crystallographic orientation while the response of polycrystals shows relatively small susceptibility to it. However, at the microscopic scale, the local stress and strain fields in the vicinity of the crack tip are completely determined by the local crystallographic orientation at the crack tip for both single and polycrystalline specimens with similar mechanical field distributions.more » Variability in the local metrics used (maximum von Mises stress and equivalent plastic strain at 3% deformation) for 100 different realizations of polycrystals fluctuates by up to a factor of 2–7 depending on the local crystallographic texture. Comparison with experimental data shows that the CP model captures variability in stress–strain response of polycrystals that can be attributed to the grain-scale microstructural variability. In conclusion, this work provides a convenient approach to investigate fluctuations in the mechanical behavior of polycrystalline materials induced by grain morphology and crystallographic orientations.« less

Field-scale and wellbore modeling of compaction-induced casing failures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hilbert, L.B. Jr.; Gwinn, R.L.; Moroney, T.A.

1999-06-01

Presented in this paper are the results and verification of field- and wellbore-scale large deformation, elasto-plastic, geomechanical finite element models of reservoir compaction and associated casing damage. The models were developed as part of a multidisciplinary team project to reduce the number of costly well failures in the diatomite reservoir of the South Belridge Field near Bakersfield, California. Reservoir compaction of high porosity diatomite rock induces localized shearing deformations on horizontal weak-rock layers and geologic unconformities. The localized shearing deformations result in casing damage or failure. Two-dimensional, field-scale finite element models were used to develop relationships between field operations, surfacemore » subsidence, and shear-induced casing damage. Pore pressures were computed for eighteen years of simulated production and water injection, using a three-dimensional reservoir simulator. The pore pressures were input to the two-dimensional geomechanical field-scale model. Frictional contact surfaces were used to model localized shear deformations. To capture the complex casing-cement-rock interaction that governs casing damage and failure, three-dimensional models of a wellbore were constructed, including a frictional sliding surface to model localized shear deformation. Calculations were compared to field data for verification of the models.« less

Simulating the Impact Response of Three Full-Scale Crash Tests of Cessna 172 Aircraft

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.; Littell, Justin D.; Annett, Martin S.; Stimson, Chad M.

2017-01-01

During the summer of 2015, a series of three full-scale crash tests were performed at the Landing and Impact Research Facility located at NASA Langley Research Center of Cessna 172 aircraft. The first test (Test 1) represented a flare-to-stall emergency or hard landing onto a rigid surface. The second test (Test 2) represented a controlled-flight- into-terrain (CFIT) with a nose down pitch attitude of the aircraft, which impacted onto soft soil. The third test (Test 3) also represented a CFIT with a nose up pitch attitude of the aircraft, which resulted in a tail strike condition. Test 3 was also conducted onto soft soil. These crash tests were performed for the purpose of evaluating the performance of Emergency Locator Transmitters and to generate impact test data for model calibration. Finite element models were generated and impact analyses were conducted to simulate the three impact conditions using the commercial nonlinear, transient dynamic finite element code, LS-DYNA®. The objective of this paper is to summarize test-analysis results for the three full-scale crash tests.

Numerical analysis of a main crack interactions with micro-defects/inhomogeneities using two-scale generalized/extended finite element method

NASA Astrophysics Data System (ADS)

Malekan, Mohammad; Barros, Felício B.

2017-12-01

Generalized or extended finite element method (G/XFEM) models the crack by enriching functions of partition of unity type with discontinuous functions that represent well the physical behavior of the problem. However, this enrichment functions are not available for all problem types. Thus, one can use numerically-built (global-local) enrichment functions to have a better approximate procedure. This paper investigates the effects of micro-defects/inhomogeneities on a main crack behavior by modeling the micro-defects/inhomogeneities in the local problem using a two-scale G/XFEM. The global-local enrichment functions are influenced by the micro-defects/inhomogeneities from the local problem and thus change the approximate solution of the global problem with the main crack. This approach is presented in detail by solving three different linear elastic fracture mechanics problems for different cases: two plane stress and a Reissner-Mindlin plate problems. The numerical results obtained with the two-scale G/XFEM are compared with the reference solutions from the analytical, numerical solution using standard G/XFEM method and ABAQUS as well, and from the literature.

Direct atomic-scale imaging of hydrogen and oxygen interstitials in pure niobium using atom-probe tomography and aberration-corrected scanning transmission electron microscopy.

PubMed

Kim, Yoon-Jun; Tao, Runzhe; Klie, Robert F; Seidman, David N

2013-01-22

Imaging the three-dimensional atomic-scale structure of complex interfaces has been the goal of many recent studies, due to its importance to technologically relevant areas. Combining atom-probe tomography and aberration-corrected scanning transmission electron microscopy (STEM), we present an atomic-scale study of ultrathin (~5 nm) native oxide layers on niobium (Nb) and the formation of ordered niobium hydride phases near the oxide/Nb interface. Nb, an elemental type-II superconductor with the highest critical temperature (T(c) = 9.2 K), is the preferred material for superconducting radio frequency (SRF) cavities in next-generation particle accelerators. Nb exhibits high solubilities for oxygen and hydrogen, especially within the RF-field penetration depth, which is believed to result in SRF quality factor losses. STEM imaging and electron energy-loss spectroscopy followed by ultraviolet laser-assisted local-electrode atom-probe tomography on the same needle-like sample reveals the NbO(2), Nb(2)O(5), NbO, Nb stacking sequence; annular bright-field imaging is used to visualize directly hydrogen atoms in bulk β-NbH.

Soil settlement analysis in soft soil by using preloading system and prefabricated vertical draining runway of Kualanamu Airport

NASA Astrophysics Data System (ADS)

Roesyanto; Iskandar, R.; Silalahi, S. A.; Fadliansyah

2018-02-01

The method of soil improvement, using the combination of prefabricated vertical drain (PVD) and preloading, was used to accelerate the process of consolidation and the consolidation settlement in the runway of Kualanamu International Airport, which was constructed on the soft soil sediment like silty clay. In this research, the investigated area was the runway of Kualanamu International Airport zone I which had 11 meter-thickness of soft soil. Geotechnic instruments surveyed was settlement plate. Monitoring was done toward the behavior of landfill such as basic soil settlement. The result were compared with the analysis of finite element method of full scale in Mohr-Coulomb model by verifying the vertical drain of asymmetric unit cell and equivalent plane strain unit cell condition. The results of the research showed that there were an interesting behavior between the data in field observation and finite element of Mohr-Coulomb model. It was also found that the result of soil settlement of finite element method of Mohr-Coulomb model was closed to the result of settlement plate monitoring.

Multiscale Failure Analysis of Laminated Composite Panels Subjected to Blast Loading Using FEAMAC/Explicit

NASA Technical Reports Server (NTRS)

Pineda, Evan J.; Waas, Anthony M.; Berdnarcyk, Brett A.; Arnold, Steven M.; Collier, Craig S.

2009-01-01

This preliminary report demonstrates the capabilities of the recently developed software implementation that links the Generalized Method of Cells to explicit finite element analysis by extending a previous development which tied the generalized method of cells to implicit finite elements. The multiscale framework, which uses explicit finite elements at the global-scale and the generalized method of cells at the microscale is detailed. This implementation is suitable for both dynamic mechanics problems and static problems exhibiting drastic and sudden changes in material properties, which often encounter convergence issues with commercial implicit solvers. Progressive failure analysis of stiffened and un-stiffened fiber-reinforced laminates subjected to normal blast pressure loads was performed and is used to demonstrate the capabilities of this framework. The focus of this report is to document the development of the software implementation; thus, no comparison between the results of the models and experimental data is drawn. However, the validity of the results are assessed qualitatively through the observation of failure paths, stress contours, and the distribution of system energies.

A comparison of methods for evaluating structure during ship collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ammerman, D.J.; Daidola, J.C.

1996-10-01

A comparison is provided of the results of various methods for evaluating structure during a ship-to-ship collision. The baseline vessel utilized in the analyses is a 67.4 meter in length displacement hull struck by an identical vessel traveling at speeds ranging from 10 to 30 knots. The structural response of the struck vessel and motion of both the struck and striking vessels are assessed by finite element analysis. These same results are then compared to predictions utilizing the {open_quotes}Tanker Structural Analysis for Minor Collisions{close_quotes} (TSAMC) Method, the Minorsky Method, the Haywood Collision Process, and comparison to full-scale tests. Consideration ismore » given to the nature of structural deformation, absorbed energy, penetration, rigid body motion, and virtual mass affecting the hydrodynamic response. Insights are provided with regard to the calibration of the finite element model which was achievable through utilizing the more empirical analyses and the extent to which the finite element analysis is able to simulate the entire collision event. 7 refs., 8 figs., 4 tabs.« less

Numerical analysis of pressure field on curved self-weighted metallic roofs due to the wind effect by the finite element method

NASA Astrophysics Data System (ADS)

Del Coz Diaz, J. J.; Garcia Nieto, P. J.; Suarez Dominguez, F. J.

2006-07-01

In this paper, an evaluation of distribution of the air pressure is determined throughout the curved and open self-weighted metallic roof due to the wind effect by the finite element method (FEM) [K. Bathe, Finite Element Procedures, Prentice-Hall, Englewood Cliffs, New York, 1996]. Data from experimental tests carried out in a wind tunnel involving a reduced scale model of a roof was used for comparison. The nonlinearity is due to time-averaged Navier-Stokes equations [C.A.J. Fletcher, Computational Techniques for Fluid Dynamics, Springer, Berlin, 1991] that govern the turbulent flow. The calculation has been carried out keeping in mind the possibility of turbulent flow in the vicinities of the walls, and speeds of wind have been analyzed between 30 and 40 m/s. Finally, the forces and moments are determined on the cover, as well as the distribution of pressures on the same one, comparing the results obtained with the Spanish and European Standards rules, giving place to the conclusions that are exposed in the study.

ODPEVP: A program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined Sturm-Liouville problem

NASA Astrophysics Data System (ADS)

Chuluunbaatar, O.; Gusev, A. A.; Vinitsky, S. I.; Abrashkevich, A. G.

2009-08-01

A FORTRAN 77 program is presented for calculating with the given accuracy eigenvalues, eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined Sturm-Liouville problem with the parametric third type boundary conditions on the finite interval. The program calculates also potential matrix elements - integrals of the eigenfunctions multiplied by their first derivatives with respect to the parameter. Eigenvalues and matrix elements computed by the ODPEVP program can be used for solving the bound state and multi-channel scattering problems for a system of the coupled second-order ordinary differential equations with the help of the KANTBP programs [O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Commun. 177 (2007) 649-675; O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich, Comput. Phys. Commun. 179 (2008) 685-693]. As a test desk, the program is applied to the calculation of the potential matrix elements for an integrable 2D-model of three identical particles on a line with pair zero-range potentials, a 3D-model of a hydrogen atom in a homogeneous magnetic field and a hydrogen atom on a three-dimensional sphere. Program summaryProgram title: ODPEVP Catalogue identifier: AEDV_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDV_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3001 No. of bytes in distributed program, including test data, etc.: 24 195 Distribution format: tar.gz Programming language: FORTRAN 77 Computer: Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IV Operating system: OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XP RAM: depends on the number and order of finite elements; the number of points; and the number of eigenfunctions required. Test run requires 4 MB Classification: 2.1, 2.4 External routines: GAULEG [3] Nature of problem: The three-dimensional boundary problem for the elliptic partial differential equation with an axial symmetry similar to the Schrödinger equation with the Coulomb and transverse oscillator potentials is reduced to the two-dimensional one. The latter finds wide applications in modeling of photoionization and recombination of oppositively charged particles (positrons, antiprotons) in the magnet-optical trap [4], optical absorption in quantum wells [5], and channeling of likely charged particles in thin doped films [6,7] or neutral atoms and molecules in artificial waveguides or surfaces [8,9]. In the adiabatic approach [10] known in mathematics as Kantorovich method [11] the solution of the two-dimensional elliptic partial differential equation is expanded over basis functions with respect to the fast variable (for example, angular variable) and depended on the slow variable (for example, radial coordinate ) as a parameter. An averaging of the problem by such a basis leads to a system of the second-order ordinary differential equations which contain potential matrix elements and the first-derivative coupling terms (see, e.g., [12,13,14]). The purpose of this paper is to present the finite element method procedure based on the use of high-order accuracy approximations for calculating eigenvalues, eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined Sturm-Liouville problem with the parametric third type boundary conditions on the finite interval. The program developed calculates potential matrix elements - integrals of the eigenfunctions multiplied by their derivatives with respect to the parameter. These matrix elements can be used for solving the bound state and multi-channel scattering problems for a system of the coupled second-order ordinary differential equations with the help of the KANTBP programs [1,2]. Solution method: The parametric self-adjoined Sturm-Liouville problem with the parametric third type boundary conditions is solved by the finite element method using high-order accuracy approximations [15]. The generalized algebraic eigenvalue problem AF=EBF with respect to a pair of unknown ( E,F) arising after the replacement of the differential problem by the finite-element approximation is solved by the subspace iteration method using the SSPACE program [16]. First derivatives of the eigenfunctions with respect to the parameter which contained in potential matrix elements of the coupled system equations are obtained by solving the inhomogeneous algebraic equations. As a test desk, the program is applied to the calculation of the potential matrix elements for an integrable 2D-model of three identical particles on a line with pair zero-range potentials described in [1,17,18], a 3D-model of a hydrogen atom in a homogeneous magnetic field described in [14,19] and a hydrogen atom on a three-dimensional sphere [20]. Restrictions: The computer memory requirements depend on: the number and order of finite elements; the number of points; and the number of eigenfunctions required. Restrictions due to dimension sizes may be easily alleviated by altering PARAMETER statements (see sections below and listing for details). The user must also supply DOUBLE PRECISION functions POTCCL and POTCC1 for evaluating potential function U(ρ,z) of Eq. (1) and its first derivative with respect to parameter ρ. The user should supply DOUBLE PRECISION functions F1FUNC and F2FUNC that evaluate functions f(z) and f(z) of Eq. (1). The user must also supply subroutine BOUNCF for evaluating the parametric third type boundary conditions. Running time: The running time depends critically upon: the number and order of finite elements; the number of points on interval [z,z]; and the number of eigenfunctions required. The test run which accompanies this paper took 2 s with calculation of matrix potentials on the Intel Pentium IV 2.4 GHz. References:O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Comm. 177 (2007) 649-675 O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich, Comput. Phys. Comm. 179 (2008) 685-693. W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986. O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, V.L. Derbov, L.A. Melnikov, V.V. Serov, Phys. Rev. A 77 (2008) 034702-1-4. E.M. Kazaryan, A.A. Kostanyan, H.A. Sarkisyan, Physica E 28 (2005) 423-430. Yu.N. Demkov, J.D. Meyer, Eur. Phys. J. B 42 (2004) 361-365. P.M. Krassovitskiy, N.Zh. Takibaev, Bull. Russian Acad. Sci. Phys. 70 (2006) 815-818. V.S. Melezhik, J.I. Kim, P. Schmelcher, Phys. Rev. A 76 (2007) 053611-1-15. F.M. Pen'kov, Phys. Rev. A 62 (2000) 044701-1-4. M. Born, X. Huang, Dynamical Theory of Crystal Lattices, The Clarendon Press, Oxford, England, 1954. L.V. Kantorovich, V.I. Krylov, Approximate Methods of Higher Analysis, Wiley, New York, 1964. U. Fano, Colloq. Int. C.N.R.S. 273 (1977) 127;A.F. Starace, G.L. Webster, Phys. Rev. A 19 (1979) 1629-1640. C.V. Clark, K.T. Lu, A.F. Starace, in: H.G. Beyer, H. Kleinpoppen (eds.), Progress in Atomic Spectroscopy, Part C, Plenum, New York, 1984, pp. 247-320. O. Chuluunbaatar, A.A. Gusev, V.L. Derbov, M.S. Kaschiev, L.A. Melnikov, V.V. Serov, S.I. Vinitsky, J. Phys. A 40 (2007) 11485-11524. A.G. Abrashkevich, D.G. Abrashkevich, M.S. Kaschiev, I.V. Puzynin, Comput. Phys. Comm. 85 (1995) 40-64. K.J. Bathe, Finite Element Procedures in Engineering Analysis, Englewood Cliffs, Prentice-Hall, New York, 1982. O. Chuluunbaatar, A.A. Gusev, M.S. Kaschiev, V.A. Kaschieva, A. Amaya-Tapia, S.Y. Larsen, S.I. Vinitsky, J. Phys. B 39 (2006) 243-269. Yu.A. Kuperin, P.B. Kurasov, Yu.B. Melnikov, S.P. Merkuriev, Ann. Phys. 205 (1991) 330-361. O. Chuluunbaatar, A.A. Gusev, V.P. Gerdt, V.A. Rostovtsev, S.I. Vinitsky, A.G. Abrashkevich, M.S. Kaschiev, V.V. Serov, Comput. Phys. Comm. 178 (2008) 301-330. A.G. Abrashkevich, M.S. Kaschiev, S.I. Vinitsky, J. Comp. Phys. 163 (2000) 328-348.

Establishing the 3-D finite element solid model of femurs in partial by volume rendering.

PubMed

Zhang, Yinwang; Zhong, Wuxue; Zhu, Haibo; Chen, Yun; Xu, Lingjun; Zhu, Jianmin

2013-01-01

It remains rare to report three-dimensional (3-D) finite element solid model of femurs in partial by volume rendering method, though several methods of femoral 3-D finite element modeling are already available. We aim to analyze the advantages of the modeling method by establishing the 3-D finite element solid model of femurs in partial by volume rendering. A 3-D finite element model of the normal human femurs, made up of three anatomic structures: cortical bone, cancellous bone and pulp cavity, was constructed followed by pretreatment of the CT original image. Moreover, the finite-element analysis was carried on different material properties, three types of materials given for cortical bone, six assigned for cancellous bone, and single for pulp cavity. The established 3-D finite element of femurs contains three anatomical structures: cortical bone, cancellous bone, and pulp cavity. The compressive stress primarily concentrated in the medial surfaces of femur, especially in the calcar femorale. Compared with whole modeling by volume rendering method, the 3-D finite element solid model created in partial is more real and fit for finite element analysis. Copyright © 2013 Surgical Associates Ltd. Published by Elsevier Ltd. All rights reserved.

Lattice dynamics calculations based on density-functional perturbation theory in real space

NASA Astrophysics Data System (ADS)

Shang, Honghui; Carbogno, Christian; Rinke, Patrick; Scheffler, Matthias

2017-06-01

A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered orbitals as basis functions is demonstrated exemplarily for the all-electron Fritz Haber Institute ab initio molecular simulations (FHI-aims) package. The convergence of the calculations with respect to numerical parameters is carefully investigated and a systematic comparison with finite-difference approaches is performed both for finite (molecules) and extended (periodic) systems. Finally, the scaling tests and scalability tests on massively parallel computer systems demonstrate the computational efficiency.

Modeling Progressive Failure of Bonded Joints Using a Single Joint Finite Element

NASA Technical Reports Server (NTRS)

Stapleton, Scott E.; Waas, Anthony M.; Bednarcyk, Brett A.

2010-01-01

Enhanced finite elements are elements with an embedded analytical solution which can capture detailed local fields, enabling more efficient, mesh-independent finite element analysis. In the present study, an enhanced finite element is applied to generate a general framework capable of modeling an array of joint types. The joint field equations are derived using the principle of minimum potential energy, and the resulting solutions for the displacement fields are used to generate shape functions and a stiffness matrix for a single joint finite element. This single finite element thus captures the detailed stress and strain fields within the bonded joint, but it can function within a broader structural finite element model. The costs associated with a fine mesh of the joint can thus be avoided while still obtaining a detailed solution for the joint. Additionally, the capability to model non-linear adhesive constitutive behavior has been included within the method, and progressive failure of the adhesive can be modeled by using a strain-based failure criteria and re-sizing the joint as the adhesive fails. Results of the model compare favorably with experimental and finite element results.

The Blended Finite Element Method for Multi-fluid Plasma Modeling

DTIC Science & Technology

2016-07-01

Briefing Charts 3. DATES COVERED (From - To) 07 June 2016 - 01 July 2016 4. TITLE AND SUBTITLE The Blended Finite Element Method for Multi-fluid Plasma...BLENDED FINITE ELEMENT METHOD FOR MULTI-FLUID PLASMA MODELING Éder M. Sousa1, Uri Shumlak2 1ERC INC., IN-SPACE PROPULSION BRANCH (RQRS) AIR FORCE RESEARCH...MULTI-FLUID PLASMA MODEL 2 BLENDED FINITE ELEMENT METHOD Blended Finite Element Method Nodal Continuous Galerkin Modal Discontinuous Galerkin Model

Spatial Convergence of Three Dimensional Turbulent Flows

NASA Technical Reports Server (NTRS)

Park, Michael A.; Anderson, W. Kyle

2016-01-01

Finite-volume and finite-element schemes, both implemented within the FUN3D flow solver, are evaluated for several test cases described on the Turbulence-Modeling Resource (TMR) web site. The cases include subsonic flow over a hemisphere cylinder, subsonic flow over a swept bump configuration, and supersonic flow in a square duct. The finite- volume and finite-element schemes are both used to obtain solutions for the first two cases, whereas only the finite-volume scheme is used for the supersonic duct. For the hemisphere cylinder, finite-element solutions obtained on tetrahedral meshes are compared with finite- volume solutions on mixed-element meshes. For the swept bump, finite-volume solutions have been obtained for both hexahedral and tetrahedral meshes and are compared with finite-element solutions obtained on tetrahedral meshes. For the hemisphere cylinder and the swept bump, solutions are obtained on a series of meshes with varying grid density and comparisons are made between drag coefficients, pressure distributions, velocity profiles, and profiles of the turbulence working variable. The square duct shows small variation due to element type or the spatial accuracy of turbulence model convection. It is demonstrated that the finite-element scheme on tetrahedral meshes yields similar accuracy as the finite- volume scheme on mixed-element and hexahedral grids, and demonstrates less sensitivity to the mesh topology (biased tetrahedral grids) than the finite-volume scheme.

Development of an Image-based Multi-Scale Finite Element Approach to Predict Fatigue Damage in Asphalt Mixtures

NASA Astrophysics Data System (ADS)

Arshadi, Amir

Image-based simulation of complex materials is a very important tool for understanding their mechanical behavior and an effective tool for successful design of composite materials. In this thesis an image-based multi-scale finite element approach is developed to predict the mechanical properties of asphalt mixtures. In this approach the "up-scaling" and homogenization of each scale to the next is critically designed to improve accuracy. In addition to this multi-scale efficiency, this study introduces an approach for consideration of particle contacts at each of the scales in which mineral particles exist. One of the most important pavement distresses which seriously affects the pavement performance is fatigue cracking. As this cracking generally takes place in the binder phase of the asphalt mixture, the binder fatigue behavior is assumed to be one of the main factors influencing the overall pavement fatigue performance. It is also known that aggregate gradation, mixture volumetric properties, and filler type and concentration can affect damage initiation and progression in the asphalt mixtures. This study was conducted to develop a tool to characterize the damage properties of the asphalt mixtures at all scales. In the present study the Viscoelastic continuum damage model is implemented into the well-known finite element software ABAQUS via the user material subroutine (UMAT) in order to simulate the state of damage in the binder phase under the repeated uniaxial sinusoidal loading. The inputs are based on the experimentally derived measurements for the binder properties. For the scales of mastic and mortar, the artificially 2-Dimensional images of mastic and mortar scales were generated and used to characterize the properties of those scales. Finally, the 2D scanned images of asphalt mixtures are used to study the asphalt mixture fatigue behavior under loading. In order to validate the proposed model, the experimental test results and the simulation results were compared. Indirect tensile fatigue tests were conducted on asphalt mixture samples. A comparison between experimental results and the results from simulation shows that the model developed in this study is capable of predicting the effect of asphalt binder properties and aggregate micro-structure on mechanical behavior of asphalt concrete under loading.

A blended continuous–discontinuous finite element method for solving the multi-fluid plasma model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sousa, E.M., E-mail: sousae@uw.edu; Shumlak, U., E-mail: shumlak@uw.edu

The multi-fluid plasma model represents electrons, multiple ion species, and multiple neutral species as separate fluids that interact through short-range collisions and long-range electromagnetic fields. The model spans a large range of temporal and spatial scales, which renders the model stiff and presents numerical challenges. To address the large range of timescales, a blended continuous and discontinuous Galerkin method is proposed, where the massive ion and neutral species are modeled using an explicit discontinuous Galerkin method while the electrons and electromagnetic fields are modeled using an implicit continuous Galerkin method. This approach is able to capture large-gradient ion and neutralmore » physics like shock formation, while resolving high-frequency electron dynamics in a computationally efficient manner. The details of the Blended Finite Element Method (BFEM) are presented. The numerical method is benchmarked for accuracy and tested using two-fluid one-dimensional soliton problem and electromagnetic shock problem. The results are compared to conventional finite volume and finite element methods, and demonstrate that the BFEM is particularly effective in resolving physics in stiff problems involving realistic physical parameters, including realistic electron mass and speed of light. The benefit is illustrated by computing a three-fluid plasma application that demonstrates species separation in multi-component plasmas.« less

Nanoarchitectonics for Controlling the Number of Dopant Atoms in Solid Electrolyte Nanodots.

PubMed

Nayak, Alpana; Unayama, Satomi; Tai, Seishiro; Tsuruoka, Tohru; Waser, Rainer; Aono, Masakazu; Valov, Ilia; Hasegawa, Tsuyoshi

2018-02-01

Controlling movements of electrons and holes is the key task in developing today's highly sophisticated information society. As transistors reach their physical limits, the semiconductor industry is seeking the next alternative to sustain its economy and to unfold a new era of human civilization. In this context, a completely new information token, i.e., ions instead of electrons, is promising. The current trend in solid-state nanoionics for applications in energy storage, sensing, and brain-type information processing, requires the ability to control the properties of matter at the ultimate atomic scale. Here, a conceptually novel nanoarchitectonic strategy is proposed for controlling the number of dopant atoms in a solid electrolyte to obtain discrete electrical properties. Using α-Ag 2+ δ S nanodots with a finite number of nonstoichiometry excess dopants as a model system, a theory matched with experiments is presented that reveals the role of physical parameters, namely, the separation between electrochemical energy levels and the cohesive energy, underlying atomic-scale manipulation of dopants in nanodots. This strategy can be applied to different nanoscale materials as their properties strongly depend on the number of doping atoms/ions, and has the potential to create a new paradigm based on controlled single atom/ion transfer. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dental application of novel finite element analysis software for three-dimensional finite element modeling of a dentulous mandible from its computed tomography images.

PubMed

Nakamura, Keiko; Tajima, Kiyoshi; Chen, Ker-Kong; Nagamatsu, Yuki; Kakigawa, Hiroshi; Masumi, Shin-ich

2013-12-01

This study focused on the application of novel finite-element analysis software for constructing a finite-element model from the computed tomography data of a human dentulous mandible. The finite-element model is necessary for evaluating the mechanical response of the alveolar part of the mandible, resulting from occlusal force applied to the teeth during biting. Commercially available patient-specific general computed tomography-based finite-element analysis software was solely applied to the finite-element analysis for the extraction of computed tomography data. The mandibular bone with teeth was extracted from the original images. Both the enamel and the dentin were extracted after image processing, and the periodontal ligament was created from the segmented dentin. The constructed finite-element model was reasonably accurate using a total of 234,644 nodes and 1,268,784 tetrahedral and 40,665 shell elements. The elastic moduli of the heterogeneous mandibular bone were determined from the bone density data of the computed tomography images. The results suggested that the software applied in this study is both useful and powerful for creating a more accurate three-dimensional finite-element model of a dentulous mandible from the computed tomography data without the need for any other software.

Studies of x-ray localization and thickness dependence in atomic-scale elemental mapping by STEM energy-dispersive x-ray spectroscopy using single-frame scanning method

DOE PAGES

Lu, Ping; Moya, Jaime M.; Yuan, Renliang; ...

2018-03-01

The delocalization of x-ray signals limits the spatial resolution in atomic-scale elemental mapping by scanning transmission electron microscopy (STEM) using energy-dispersive x-ray spectroscopy (EDS). In this study, using a SrTiO 3 [001] single crystal, we show that the x-ray localization to atomic columns is strongly dependent on crystal thickness, and a thin crystal is critical for improving the spatial resolution in atomic-scale EDS mapping. A single-frame scanning technique is used in this study instead of the multiple-frame technique to avoid peak broadening due to tracking error. The strong thickness dependence is realized by measuring the full width at half maximamore » (FWHM) as well as the peak-to-valley (P/V) ratio of the EDS profiles for Ti K and Sr K+L, obtained at several crystal thicknesses. A FWHM of about 0.16 nm and a P/V ratio of greater than 7.0 are obtained for Ti K for a crystal thickness of less than 20 nm. In conclusion, with increasing crystal thickness, the FWHM and P/V ratio increases and decreases, respectively, indicating the advantage of using a thin crystal for high-resolution EDS mapping.« less

Studies of x-ray localization and thickness dependence in atomic-scale elemental mapping by STEM energy-dispersive x-ray spectroscopy using single-frame scanning method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Ping; Moya, Jaime M.; Yuan, Renliang

The delocalization of x-ray signals limits the spatial resolution in atomic-scale elemental mapping by scanning transmission electron microscopy (STEM) using energy-dispersive x-ray spectroscopy (EDS). In this study, using a SrTiO 3 [001] single crystal, we show that the x-ray localization to atomic columns is strongly dependent on crystal thickness, and a thin crystal is critical for improving the spatial resolution in atomic-scale EDS mapping. A single-frame scanning technique is used in this study instead of the multiple-frame technique to avoid peak broadening due to tracking error. The strong thickness dependence is realized by measuring the full width at half maximamore » (FWHM) as well as the peak-to-valley (P/V) ratio of the EDS profiles for Ti K and Sr K+L, obtained at several crystal thicknesses. A FWHM of about 0.16 nm and a P/V ratio of greater than 7.0 are obtained for Ti K for a crystal thickness of less than 20 nm. In conclusion, with increasing crystal thickness, the FWHM and P/V ratio increases and decreases, respectively, indicating the advantage of using a thin crystal for high-resolution EDS mapping.« less

Studies of x-ray localization and thickness dependence in atomic-scale elemental mapping by STEM energy-dispersive x-ray spectroscopy using single-frame scanning method.

PubMed

Lu, Ping; Moya, Jaime M; Yuan, Renliang; Zuo, Jian Min

2018-03-01

The delocalization of x-ray signals limits the spatial resolution in atomic-scale elemental mapping by scanning transmission electron microscopy (STEM) using energy-dispersive x-ray spectroscopy (EDS). In this study, using a SrTiO 3 [001] single crystal, we show that the x-ray localization to atomic columns is strongly dependent on crystal thickness, and a thin crystal is critical for improving the spatial resolution in atomic-scale EDS mapping. A single-frame scanning technique is used in this study instead of the multiple-frame technique to avoid peak broadening due to tracking error. The strong thickness dependence is realized by measuring the full width at half maxima (FWHM) as well as the peak-to-valley (P/V) ratio of the EDS profiles for Ti K and Sr K + L, obtained at several crystal thicknesses. A FWHM of about 0.16 nm and a P/V ratio of greater than 7.0 are obtained for Ti K for a crystal thickness of less than 20 nm. With increasing crystal thickness, the FWHM and P/V ratio increases and decreases, respectively, indicating the advantage of using a thin crystal for high-resolution EDS mapping. Published by Elsevier B.V.

X-ray STM: Nanoscale elemental analysis & Observation of atomic track.

PubMed

Saito, Akira; Furudate, Y; Kusui, Y; Saito, T; Akai-Kasaya, M; Tanaka, Y; Tamasaku, K; Kohmura, Y; Ishikawa, T; Kuwahara, Y; Aono, M

2014-11-01

Scanning tunneling microscopy (STM) combined with brilliant X-rays from synchrotron radiation (SR) can provide various possibilities of original and important applications, such as the elemental analysis on solid surfaces at an atomic scale. The principle of the elemental analysis is based on the inner-shell excitation of an element-specific energy level "under STM observation". A key to obtain an atomic locality is to extract the element-specific modulation of the local tunneling current (not emission that can damage the spatial resolution), which is derived from the inner-shell excitation [1]. On this purpose, we developed a special SR-STM system and smart tip. To surmount a tiny core-excitation efficiency by hard X-rays, we focused two-dimensionally an incident beam having the highest photon density at the SPring-8.After successes in the elemental analyses by SR-STM [1,2] on a semiconductor hetero-interface (Ge on Si) and metal-semiconductor interface (Cu on Ge), we succeeded in obtaining the elemental contrast between Co nano-islands and Au substrate. The results on the metallic substrate suggest the generality of the method and give some important implications on the principle of contrast. For all cases of three samples, the spatial resolution of the analysis was estimated to be ∼1 nm or less, and it is worth noting that the measured surface domains had a deposition thickness of less than one atomic layer (Fig. 1, left and center).jmicro;63/suppl_1/i14-a/DFU045F1F1DFU045F1Fig. 1.(left) Topographic image and (center) beam-induced tip current image of Ge(111)-Cu (-2V, 0.2 nA). (right) X-ray- induced atomic motion tracks on Ge(111) that were newly imaged by the Xray-STM. On the other hand, we found that the "X-ray induced atomic motion" can be observed directly with atomic scale using the SR-STM system effectively under the incident photon density of ∼2 x10(15) photon/sec/mm(2) [3]. SR-STM visualized successfully the track of the atomic motion (Fig. 1, right), which enabled the further analysis on the mechanism of the atomic motion. It is worth comparing our results with past conventional thermal STM observations on the same surface [4], where the atomic motion was found to occur in the 2-dimensional domain. However, our results show the atomic track having a local chain distribution [3].The above mentioned results will allow us to investigate the chemical analysis and control of the local reaction with the spatial resolution of STM, giving hope of wide applications. © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Multiresolution molecular mechanics: Surface effects in nanoscale materials

NASA Astrophysics Data System (ADS)

Yang, Qingcheng; To, Albert C.

2017-05-01

Surface effects have been observed to contribute significantly to the mechanical response of nanoscale structures. The newly proposed energy-based coarse-grained atomistic method Multiresolution Molecular Mechanics (MMM) (Yang, To (2015), [57]) is applied to capture surface effect for nanosized structures by designing a surface summation rule SRS within the framework of MMM. Combined with previously proposed bulk summation rule SRB, the MMM summation rule SRMMM is completed. SRS and SRB are consistently formed within SRMMM for general finite element shape functions. Analogous to quadrature rules in finite element method (FEM), the key idea to the good performance of SRMMM lies in that the order or distribution of energy for coarse-grained atomistic model is mathematically derived such that the number, position and weight of quadrature-type (sampling) atoms can be determined. Mathematically, the derived energy distribution of surface area is different from that of bulk region. Physically, the difference is due to the fact that surface atoms lack neighboring bonding. As such, SRS and SRB are employed for surface and bulk domains, respectively. Two- and three-dimensional numerical examples using the respective 4-node bilinear quadrilateral, 8-node quadratic quadrilateral and 8-node hexahedral meshes are employed to verify and validate the proposed approach. It is shown that MMM with SRMMM accurately captures corner, edge and surface effects with less 0.3% degrees of freedom of the original atomistic system, compared against full atomistic simulation. The effectiveness of SRMMM with respect to high order element is also demonstrated by employing the 8-node quadratic quadrilateral to solve a beam bending problem considering surface effect. In addition, the introduced sampling error with SRMMM that is analogous to numerical integration error with quadrature rule in FEM is very small.

Numerical simulation on hydromechanical coupling in porous media adopting three-dimensional pore-scale model.

PubMed

Liu, Jianjun; Song, Rui; Cui, Mengmeng

2014-01-01

A novel approach of simulating hydromechanical coupling in pore-scale models of porous media is presented in this paper. Parameters of the sandstone samples, such as the stress-strain curve, Poisson's ratio, and permeability under different pore pressure and confining pressure, are tested in laboratory scale. The micro-CT scanner is employed to scan the samples for three-dimensional images, as input to construct the model. Accordingly, four physical models possessing the same pore and rock matrix characteristics as the natural sandstones are developed. Based on the micro-CT images, the three-dimensional finite element models of both rock matrix and pore space are established by MIMICS and ICEM software platform. Navier-Stokes equation and elastic constitutive equation are used as the mathematical model for simulation. A hydromechanical coupling analysis in pore-scale finite element model of porous media is simulated by ANSYS and CFX software. Hereby, permeability of sandstone samples under different pore pressure and confining pressure has been predicted. The simulation results agree well with the benchmark data. Through reproducing its stress state underground, the prediction accuracy of the porous rock permeability in pore-scale simulation is promoted. Consequently, the effects of pore pressure and confining pressure on permeability are revealed from the microscopic view.

Numerical Simulation on Hydromechanical Coupling in Porous Media Adopting Three-Dimensional Pore-Scale Model

PubMed Central

Liu, Jianjun; Song, Rui; Cui, Mengmeng

2014-01-01

A novel approach of simulating hydromechanical coupling in pore-scale models of porous media is presented in this paper. Parameters of the sandstone samples, such as the stress-strain curve, Poisson's ratio, and permeability under different pore pressure and confining pressure, are tested in laboratory scale. The micro-CT scanner is employed to scan the samples for three-dimensional images, as input to construct the model. Accordingly, four physical models possessing the same pore and rock matrix characteristics as the natural sandstones are developed. Based on the micro-CT images, the three-dimensional finite element models of both rock matrix and pore space are established by MIMICS and ICEM software platform. Navier-Stokes equation and elastic constitutive equation are used as the mathematical model for simulation. A hydromechanical coupling analysis in pore-scale finite element model of porous media is simulated by ANSYS and CFX software. Hereby, permeability of sandstone samples under different pore pressure and confining pressure has been predicted. The simulation results agree well with the benchmark data. Through reproducing its stress state underground, the prediction accuracy of the porous rock permeability in pore-scale simulation is promoted. Consequently, the effects of pore pressure and confining pressure on permeability are revealed from the microscopic view. PMID:24955384

Design synthesis and optimization of permanent magnet synchronous machines based on computationally-efficient finite element analysis

NASA Astrophysics Data System (ADS)

Sizov, Gennadi Y.

In this dissertation, a model-based multi-objective optimal design of permanent magnet ac machines, supplied by sine-wave current regulated drives, is developed and implemented. The design procedure uses an efficient electromagnetic finite element-based solver to accurately model nonlinear material properties and complex geometric shapes associated with magnetic circuit design. Application of an electromagnetic finite element-based solver allows for accurate computation of intricate performance parameters and characteristics. The first contribution of this dissertation is the development of a rapid computational method that allows accurate and efficient exploration of large multi-dimensional design spaces in search of optimum design(s). The computationally efficient finite element-based approach developed in this work provides a framework of tools that allow rapid analysis of synchronous electric machines operating under steady-state conditions. In the developed modeling approach, major steady-state performance parameters such as, winding flux linkages and voltages, average, cogging and ripple torques, stator core flux densities, core losses, efficiencies and saturated machine winding inductances, are calculated with minimum computational effort. In addition, the method includes means for rapid estimation of distributed stator forces and three-dimensional effects of stator and/or rotor skew on the performance of the machine. The second contribution of this dissertation is the development of the design synthesis and optimization method based on a differential evolution algorithm. The approach relies on the developed finite element-based modeling method for electromagnetic analysis and is able to tackle large-scale multi-objective design problems using modest computational resources. Overall, computational time savings of up to two orders of magnitude are achievable, when compared to current and prevalent state-of-the-art methods. These computational savings allow one to expand the optimization problem to achieve more complex and comprehensive design objectives. The method is used in the design process of several interior permanent magnet industrial motors. The presented case studies demonstrate that the developed finite element-based approach practically eliminates the need for using less accurate analytical and lumped parameter equivalent circuit models for electric machine design optimization. The design process and experimental validation of the case-study machines are detailed in the dissertation.

Multi-scale modelling of elastic moduli of trabecular bone

PubMed Central

Hamed, Elham; Jasiuk, Iwona; Yoo, Andrew; Lee, YikHan; Liszka, Tadeusz

2012-01-01

We model trabecular bone as a nanocomposite material with hierarchical structure and predict its elastic properties at different structural scales. The analysis involves a bottom-up multi-scale approach, starting with nanoscale (mineralized collagen fibril) and moving up the scales to sub-microscale (single lamella), microscale (single trabecula) and mesoscale (trabecular bone) levels. Continuum micromechanics methods, composite materials laminate theory and finite-element methods are used in the analysis. Good agreement is found between theoretical and experimental results. PMID:22279160

Passenger car crippling end-load test and analyses

DOT National Transportation Integrated Search

2017-09-01

The Transportation Technology Center, Inc. (TTCI) performed a series of full-scale tests and a finite element analysis (FEA) in a case study that may become a model for manufacturers seeking to use the waiver process of Tier I crashworthiness and occ...

Simulation-aided constitutive law development - Assessment of low triaxiality void nucleation models via extended finite element method

NASA Astrophysics Data System (ADS)

Zhao, Jifeng; Kontsevoi, Oleg Y.; Xiong, Wei; Smith, Jacob

2017-05-01

In this work, a multi-scale computational framework has been established in order to investigate, refine and validate constitutive behaviors in the context of the Gurson-Tvergaard-Needleman (GTN) void mechanics model. The eXtended Finite Element Method (XFEM) has been implemented in order to (1) develop statistical volume elements (SVE) of a matrix material with subscale inclusions and (2) to simulate the multi-void nucleation process due to interface debonding between the matrix and particle phases. Our analyses strongly suggest that under low stress triaxiality the nucleation rate of the voids f˙ can be well described by a normal distribution function with respect to the matrix equivalent stress (σe), as opposed to that proposed (σbar + 1 / 3σkk) in the original form of the single void GTN model. The modified form of the multi-void nucleation model has been validated based on a series of numerical experiments with different loading conditions, material properties, particle shape/size and spatial distributions. The utilization of XFEM allows for an invariant finite element mesh to represent varying microstructures, which implies suitability for drastically reducing complexity in generating the finite element discretizations for large stochastic arrays of microstructure configurations. The modified form of the multi-void nucleation model is further applied to study high strength steels by incorporating first principles calculations. The necessity of using a phenomenological interface separation law has been fully eliminated and replaced by the physics-based cohesive relationship obtained from Density Functional Theory (DFT) calculations in order to provide an accurate macroscopic material response.

Finite element implementation of Robinson's unified viscoplastic model and its application to some uniaxial and multiaxial problems

NASA Technical Reports Server (NTRS)

Arya, V. K.; Kaufman, A.

1989-01-01

A description of the finite element implementation of Robinson's unified viscoplastic model into the General Purpose Finite Element Program (MARC) is presented. To demonstrate its application, the implementation is applied to some uniaxial and multiaxial problems. A comparison of the results for the multiaxial problem of a thick internally pressurized cylinder, obtained using the finite element implementation and an analytical solution, is also presented. The excellent agreement obtained confirms the correct finite element implementation of Robinson's model.

Finite element implementation of Robinson's unified viscoplastic model and its application to some uniaxial and multiaxial problems

NASA Technical Reports Server (NTRS)

Arya, V. K.; Kaufman, A.

1987-01-01

A description of the finite element implementation of Robinson's unified viscoplastic model into the General Purpose Finite Element Program (MARC) is presented. To demonstrate its application, the implementation is applied to some uniaxial and multiaxial problems. A comparison of the results for the multiaxial problem of a thick internally pressurized cylinder, obtained using the finite element implementation and an analytical solution, is also presented. The excellent agreement obtained confirms the correct finite element implementation of Robinson's model.

Parallelized Three-Dimensional Resistivity Inversion Using Finite Elements And Adjoint State Methods

NASA Astrophysics Data System (ADS)

Schaa, Ralf; Gross, Lutz; Du Plessis, Jaco

2015-04-01

The resistivity method is one of the oldest geophysical exploration methods, which employs one pair of electrodes to inject current into the ground and one or more pairs of electrodes to measure the electrical potential difference. The potential difference is a non-linear function of the subsurface resistivity distribution described by an elliptic partial differential equation (PDE) of the Poisson type. Inversion of measured potentials solves for the subsurface resistivity represented by PDE coefficients. With increasing advances in multichannel resistivity acquisition systems (systems with more than 60 channels and full waveform recording are now emerging), inversion software require efficient storage and solver algorithms. We developed the finite element solver Escript, which provides a user-friendly programming environment in Python to solve large-scale PDE-based problems (see https://launchpad.net/escript-finley). Using finite elements, highly irregular shaped geology and topography can readily be taken into account. For the 3D resistivity problem, we have implemented the secondary potential approach, where the PDE is decomposed into a primary potential caused by the source current and the secondary potential caused by changes in subsurface resistivity. The primary potential is calculated analytically, and the boundary value problem for the secondary potential is solved using nodal finite elements. This approach removes the singularity caused by the source currents and provides more accurate 3D resistivity models. To solve the inversion problem we apply a 'first optimize then discretize' approach using the quasi-Newton scheme in form of the limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) method (see Gross & Kemp 2013). The evaluation of the cost function requires the solution of the secondary potential PDE for each source current and the solution of the corresponding adjoint-state PDE for the cost function gradients with respect to the subsurface resistivity. The Hessian of the regularization term is used as preconditioner which requires an additional PDE solution in each iteration step. As it turns out, the relevant PDEs are naturally formulated in the finite element framework. Using the domain decomposition method provided in Escript, the inversion scheme has been parallelized for distributed memory computers with multi-core shared memory nodes. We show numerical examples from simple layered models to complex 3D models and compare with the results from other methods. The inversion scheme is furthermore tested on a field data example to characterise localised freshwater discharge in a coastal environment.. References: L. Gross and C. Kemp (2013) Large Scale Joint Inversion of Geophysical Data using the Finite Element Method in escript. ASEG Extended Abstracts 2013, http://dx.doi.org/10.1071/ASEG2013ab306

Finite element modelling of woven composite failure modes at the mesoscopic scale: deterministic versus stochastic approaches

NASA Astrophysics Data System (ADS)

Roirand, Q.; Missoum-Benziane, D.; Thionnet, A.; Laiarinandrasana, L.

2017-09-01

Textile composites are composed of 3D complex architecture. To assess the durability of such engineering structures, the failure mechanisms must be highlighted. Examinations of the degradation have been carried out thanks to tomography. The present work addresses a numerical damage model dedicated to the simulation of the crack initiation and propagation at the scale of the warp yarns. For the 3D woven composites under study, loadings in tension and combined tension and bending were considered. Based on an erosion procedure of broken elements, the failure mechanisms have been modelled on 3D periodic cells by finite element calculations. The breakage of one element was determined using a failure criterion at the mesoscopic scale based on the yarn stress at failure. The results were found to be in good agreement with the experimental data for the two kinds of macroscopic loadings. The deterministic approach assumed a homogeneously distributed stress at failure all over the integration points in the meshes of woven composites. A stochastic approach was applied to a simple representative elementary periodic cell. The distribution of the Weibull stress at failure was assigned to the integration points using a Monte Carlo simulation. It was shown that this stochastic approach allowed more realistic failure simulations avoiding the idealised symmetry due to the deterministic modelling. In particular, the stochastic simulations performed have shown several variations of the stress as well as strain at failure and the failure modes of the yarn.

Atomic scale chemical tomography of human bone

NASA Astrophysics Data System (ADS)

Langelier, Brian; Wang, Xiaoyue; Grandfield, Kathryn

2017-01-01

Human bone is a complex hierarchical material. Understanding bone structure and its corresponding composition at the nanometer scale is critical for elucidating mechanisms of biomineralization under healthy and pathological states. However, the three-dimensional structure and chemical nature of bone remains largely unexplored at the nanometer scale due to the challenges associated with characterizing both the structural and chemical integrity of bone simultaneously. Here, we use correlative transmission electron microscopy and atom probe tomography for the first time, to our knowledge, to reveal structures in human bone at the atomic level. This approach provides an overlaying chemical map of the organic and inorganic constituents of bone on its structure. This first use of atom probe tomography on human bone reveals local gradients, trace element detection of Mg, and the co-localization of Na with the inorganic-organic interface of bone mineral and collagen fibrils, suggesting the important role of Na-rich organics in the structural connection between mineral and collagen. Our findings provide the first insights into the hierarchical organization and chemical heterogeneity in human bone in three-dimensions at its smallest length scale - the atomic level. We demonstrate that atom probe tomography shows potential for new insights in biomineralization research on bone.

Stress-intensity factors for small surface and corner cracks in plates

NASA Technical Reports Server (NTRS)

Raju, I. S.; Atluri, S. N.; Newman, J. C., Jr.

1988-01-01

Three-dimensional finite-element and finite-alternating methods were used to obtain the stress-intensity factors for small surface and corner cracked plates subjected to remote tension and bending loads. The crack-depth-to-crack-length ratios (a/c) ranged from 0.2 to 1 and the crack-depth-to-plate-thickness ratios (a/t) ranged from 0.05 to 0.2. The performance of the finite-element alternating method was studied on these crack configurations. A study of the computational effort involved in the finite-element alternating method showed that several crack configurations could be analyzed with a single rectangular mesh idealization, whereas the conventional finite-element method requires a different mesh for each configuration. The stress-intensity factors obtained with the finite-element-alternating method agreed well (within 5 percent) with those calculated from the finite-element method with singularity elements.

Finite Element Method (FEM) Modeling of Freeze-drying: Monitoring Pharmaceutical Product Robustness During Lyophilization.

PubMed

Chen, Xiaodong; Sadineni, Vikram; Maity, Mita; Quan, Yong; Enterline, Matthew; Mantri, Rao V

2015-12-01

Lyophilization is an approach commonly undertaken to formulate drugs that are unstable to be commercialized as ready to use (RTU) solutions. One of the important aspects of commercializing a lyophilized product is to transfer the process parameters that are developed in lab scale lyophilizer to commercial scale without a loss in product quality. This process is often accomplished by costly engineering runs or through an iterative process at the commercial scale. Here, we are highlighting a combination of computational and experimental approach to predict commercial process parameters for the primary drying phase of lyophilization. Heat and mass transfer coefficients are determined experimentally either by manometric temperature measurement (MTM) or sublimation tests and used as inputs for the finite element model (FEM)-based software called PASSAGE, which computes various primary drying parameters such as primary drying time and product temperature. The heat and mass transfer coefficients will vary at different lyophilization scales; hence, we present an approach to use appropriate factors while scaling-up from lab scale to commercial scale. As a result, one can predict commercial scale primary drying time based on these parameters. Additionally, the model-based approach presented in this study provides a process to monitor pharmaceutical product robustness and accidental process deviations during Lyophilization to support commercial supply chain continuity. The approach presented here provides a robust lyophilization scale-up strategy; and because of the simple and minimalistic approach, it will also be less capital intensive path with minimal use of expensive drug substance/active material.

An interactive graphics system to facilitate finite element structural analysis

NASA Technical Reports Server (NTRS)

Burk, R. C.; Held, F. H.

1973-01-01

The characteristics of an interactive graphics systems to facilitate the finite element method of structural analysis are described. The finite element model analysis consists of three phases: (1) preprocessing (model generation), (2) problem solution, and (3) postprocessing (interpretation of results). The advantages of interactive graphics to finite element structural analysis are defined.

Integrated transient thermal-structural finite element analysis

NASA Technical Reports Server (NTRS)

Thornton, E. A.; Dechaumphai, P.; Wieting, A. R.; Tamma, K. K.

1981-01-01

An integrated thermal structural finite element approach for efficient coupling of transient thermal and structural analysis is presented. Integrated thermal structural rod and one dimensional axisymmetric elements considering conduction and convection are developed and used in transient thermal structural applications. The improved accuracy of the integrated approach is illustrated by comparisons with exact transient heat conduction elasticity solutions and conventional finite element thermal finite element structural analyses.

Radiation Heat Transfer Between Diffuse-Gray Surfaces Using Higher Order Finite Elements

NASA Technical Reports Server (NTRS)

Gould, Dana C.

2000-01-01

This paper presents recent work on developing methods for analyzing radiation heat transfer between diffuse-gray surfaces using p-version finite elements. The work was motivated by a thermal analysis of a High Speed Civil Transport (HSCT) wing structure which showed the importance of radiation heat transfer throughout the structure. The analysis also showed that refining the finite element mesh to accurately capture the temperature distribution on the internal structure led to very large meshes with unacceptably long execution times. Traditional methods for calculating surface-to-surface radiation are based on assumptions that are not appropriate for p-version finite elements. Two methods for determining internal radiation heat transfer are developed for one and two-dimensional p-version finite elements. In the first method, higher-order elements are divided into a number of sub-elements. Traditional methods are used to determine radiation heat flux along each sub-element and then mapped back to the parent element. In the second method, the radiation heat transfer equations are numerically integrated over the higher-order element. Comparisons with analytical solutions show that the integration scheme is generally more accurate than the sub-element method. Comparison to results from traditional finite elements shows that significant reduction in the number of elements in the mesh is possible using higher-order (p-version) finite elements.

RACE and Calculations of Three-dimensional Distributed Cavity Phase Shifts

NASA Technical Reports Server (NTRS)

Li, Ruoxin; Gibble, Kurt

2003-01-01

The design for RACE, a Rb-clock flight experiment for the ISS, is described. The cold collision shift and multiple launching (juggling) have important implications for the design and the resulting clock accuracy and stability. We present and discuss the double clock design for RACE. This design reduces the noise contributions of the local oscillator and simplifies and enhances an accuracy evaluation of the clock. As we try to push beyond the current accuracies of clocks, new systematic errors become important. The best fountain clocks are using cylindrical TE(sub 011) microwave cavities. We recently pointed out that many atoms pass through a node of the standing wave microwave field in these cavities. Previous studies have shown potentially large frequency shifts for atoms passing through nodes in a TE(sub 013) cavity. The shift occurs because there is a small traveling wave component due to the absorption of the copper cavity walls. The small traveling wave component leads to position dependent phase shifts. To study these effects, we perform Finite Element calculations. Three-dimensional Finite Element calculations require significant computer resources. Here we show that the cylindrical boundary condition can be Fourier decomposed to a short series of two-dimensional problems. This dramatically reduces the time and memory required and we obtain (3D) phase distributions for a variety of cavities. With these results, we will be able to analyze this frequency shift in fountain and future space clocks.

SEACAS Theory Manuals: Part III. Finite Element Analysis in Nonlinear Solid Mechanics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Laursen, T.A.; Attaway, S.W.; Zadoks, R.I.

1999-03-01

This report outlines the application of finite element methodology to large deformation solid mechanics problems, detailing also some of the key technological issues that effective finite element formulations must address. The presentation is organized into three major portions: first, a discussion of finite element discretization from the global point of view, emphasizing the relationship between a virtual work principle and the associated fully discrete system, second, a discussion of finite element technology, emphasizing the important theoretical and practical features associated with an individual finite element; and third, detailed description of specific elements that enjoy widespread use, providing some examples ofmore » the theoretical ideas already described. Descriptions of problem formulation in nonlinear solid mechanics, nonlinear continuum mechanics, and constitutive modeling are given in three companion reports.« less

Grid sensitivity capability for large scale structures

NASA Technical Reports Server (NTRS)

Nagendra, Gopal K.; Wallerstein, David V.

1989-01-01

The considerations and the resultant approach used to implement design sensitivity capability for grids into a large scale, general purpose finite element system (MSC/NASTRAN) are presented. The design variables are grid perturbations with a rather general linking capability. Moreover, shape and sizing variables may be linked together. The design is general enough to facilitate geometric modeling techniques for generating design variable linking schemes in an easy and straightforward manner. Test cases have been run and validated by comparison with the overall finite difference method. The linking of a design sensitivity capability for shape variables in MSC/NASTRAN with an optimizer would give designers a powerful, automated tool to carry out practical optimization design of real life, complicated structures.

Experiments and Dynamic Finite Element Analysis of a Wire-Rope Rockfall Protective Fence

NASA Astrophysics Data System (ADS)

Tran, Phuc Van; Maegawa, Koji; Fukada, Saiji

2013-09-01

The imperative need to protect structures in mountainous areas against rockfall has led to the development of various protection methods. This study introduces a new type of rockfall protection fence made of posts, wire ropes, wire netting and energy absorbers. The performance of this rock fence was verified in both experiments and dynamic finite element analysis. In collision tests, a reinforced-concrete block rolled down a natural slope and struck the rock fence at the end of the slope. A specialized system of measuring instruments was employed to accurately measure the acceleration of the block without cable connection. In particular, the performance of two energy absorbers, which contribute also to preventing wire ropes from breaking, was investigated to determine the best energy absorber. In numerical simulation, a commercial finite element code having explicit dynamic capabilities was employed to create models of the two full-scale tests. To facilitate simulation, certain simplifying assumptions for mechanical data of each individual component of the rock fence and geometrical data of the model were adopted. Good agreement between numerical simulation and experimental data validated the numerical simulation. Furthermore, the results of numerical simulation helped highlight limitations of the testing method. The results of numerical simulation thus provide a deeper understanding of the structural behavior of individual components of the rock fence during rockfall impact. More importantly, numerical simulations can be used not only as supplements to or substitutes for full-scale tests but also in parametric study and design.

Thermo-optic characteristics and switching power limit of slow-light photonic crystal structures on a silicon-on-insulator platform.

PubMed

Chahal, Manjit; Celler, George K; Jaluria, Yogesh; Jiang, Wei

2012-02-13

Employing a semi-analytic approach, we study the influence of key structural and optical parameters on the thermo-optic characteristics of photonic crystal waveguide (PCW) structures on a silicon-on-insulator (SOI) platform. The power consumption and spatial temperature profile of such structures are given as explicit functions of various structural, thermal and optical parameters, offering physical insight not available in finite-element simulations. Agreement with finite-element simulations and experiments is demonstrated. Thermal enhancement of the air-bridge structure is analyzed. The practical limit of thermo-optic switching power in slow light PCWs is discussed, and the scaling with key parameters is analyzed. Optical switching with sub-milliwatt power is shown viable.

A framework for grand scale parallelization of the combined finite discrete element method in 2d

NASA Astrophysics Data System (ADS)

Lei, Z.; Rougier, E.; Knight, E. E.; Munjiza, A.

2014-09-01

Within the context of rock mechanics, the Combined Finite-Discrete Element Method (FDEM) has been applied to many complex industrial problems such as block caving, deep mining techniques (tunneling, pillar strength, etc.), rock blasting, seismic wave propagation, packing problems, dam stability, rock slope stability, rock mass strength characterization problems, etc. The reality is that most of these were accomplished in a 2D and/or single processor realm. In this work a hardware independent FDEM parallelization framework has been developed using the Virtual Parallel Machine for FDEM, (V-FDEM). With V-FDEM, a parallel FDEM software can be adapted to different parallel architecture systems ranging from just a few to thousands of cores.

Vibration and flutter characteristics of the SR7L large-scale propfan

NASA Technical Reports Server (NTRS)

August, Richard; Kaza, Krishna Rao V.

1988-01-01

An investigation of the vibration characteristics and aeroelastic stability of the SR7L Large-Scale Advanced Propfan was performed using a finite element blade model and an improved aeroelasticity code. Analyses were conducted for different blade pitch angles, blade support conditions, number of blades, rotational speeds, and freestream Mach numbers. A finite element model of the blade was used to determine the blade's vibration behavior and sensitivity to support stiffness. The calculated frequencies and mode shape obtained with this model agreed well with the published experimental data. A computer code recently developed at NASA Lewis Research Center and based on three-dimensional, unsteady, lifting surface aerodynamic theory was used for the aeroelastic analysis to examine the blade's stability at a cruise condition of Mach 0.8 at 1700 rpm. The results showed that the blade is stable for that operating point. However, a flutter condition was predicted if the cruise Mach number was increased to 0.9.

KANTBP 2.0: New version of a program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach

NASA Astrophysics Data System (ADS)

Chuluunbaatar, O.; Gusev, A. A.; Vinitsky, S. I.; Abrashkevich, A. G.

2008-11-01

A FORTRAN 77 program for calculating energy values, reaction matrix and corresponding radial wave functions in a coupled-channel approximation of the hyperspherical adiabatic approach is presented. In this approach, a multi-dimensional Schrödinger equation is reduced to a system of the coupled second-order ordinary differential equations on a finite interval with homogeneous boundary conditions: (i) the Dirichlet, Neumann and third type at the left and right boundary points for continuous spectrum problem, (ii) the Dirichlet and Neumann type conditions at left boundary point and Dirichlet, Neumann and third type at the right boundary point for the discrete spectrum problem. The resulting system of radial equations containing the potential matrix elements and first-derivative coupling terms is solved using high-order accuracy approximations of the finite element method. As a test desk, the program is applied to the calculation of the reaction matrix and radial wave functions for 3D-model of a hydrogen-like atom in a homogeneous magnetic field. This version extends the previous version 1.0 of the KANTBP program [O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Commun. 177 (2007) 649-675]. Program summaryProgram title: KANTBP Catalogue identifier: ADZH_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZH_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 20 403 No. of bytes in distributed program, including test data, etc.: 147 563 Distribution format: tar.gz Programming language: FORTRAN 77 Computer: Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IV Operating system: OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XP RAM: This depends on the number of differential equations; the number and order of finite elements; the number of hyperradial points; and the number of eigensolutions required. The test run requires 2 MB Classification: 2.1, 2.4 External routines: GAULEG and GAUSSJ [2] Nature of problem: In the hyperspherical adiabatic approach [3-5], a multidimensional Schrödinger equation for a two-electron system [6] or a hydrogen atom in magnetic field [7-9] is reduced by separating radial coordinate ρ from the angular variables to a system of the second-order ordinary differential equations containing the potential matrix elements and first-derivative coupling terms. The purpose of this paper is to present the finite element method procedure based on the use of high-order accuracy approximations for calculating approximate eigensolutions of the continuum spectrum for such systems of coupled differential equations on finite intervals of the radial variable ρ∈[ρ,ρ]. This approach can be used in the calculations of effects of electron screening on low-energy fusion cross sections [10-12]. Solution method: The boundary problems for the coupled second-order differential equations are solved by the finite element method using high-order accuracy approximations [13]. The generalized algebraic eigenvalue problem AF=EBF with respect to pair unknowns ( E,F) arising after the replacement of the differential problem by the finite-element approximation is solved by the subspace iteration method using the SSPACE program [14]. The generalized algebraic eigenvalue problem (A-EB)F=λDF with respect to pair unknowns ( λ,F) arising after the corresponding replacement of the scattering boundary problem in open channels at fixed energy value, E, is solved by the LDL factorization of symmetric matrix and back-substitution methods using the DECOMP and REDBAK programs, respectively [14]. As a test desk, the program is applied to the calculation of the reaction matrix and corresponding radial wave functions for 3D-model of a hydrogen-like atom in a homogeneous magnetic field described in [9] on finite intervals of the radial variable ρ∈[ρ,ρ]. For this benchmark model the required analytical expressions for asymptotics of the potential matrix elements and first-derivative coupling terms, and also asymptotics of radial solutions of the boundary problems for coupled differential equations have been produced with help of a MAPLE computer algebra system. Restrictions: The computer memory requirements depend on: the number of differential equations; the number and order of finite elements; the total number of hyperradial points; and the number of eigensolutions required. Restrictions due to dimension sizes may be easily alleviated by altering PARAMETER statements (see Section 3 and [1] for details). The user must also supply subroutine POTCAL for evaluating potential matrix elements. The user should also supply subroutines ASYMEV (when solving the eigenvalue problem) or ASYMS0 and ASYMSC (when solving the scattering problem) which evaluate asymptotics of the radial wave functions at left and right boundary points in case of a boundary condition of the third type for the above problems. Running time: The running time depends critically upon: the number of differential equations; the number and order of finite elements; the total number of hyperradial points on interval [ ρ,ρ]; and the number of eigensolutions required. The test run which accompanies this paper took 2 s without calculation of matrix potentials on the Intel Pentium IV 2.4 GHz. References: [1] O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Commun. 177 (2007) 649-675; http://cpc.cs.qub.ac.uk/summaries/ADZHv10.html. [2] W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986. [3] J. Macek, J. Phys. B 1 (1968) 831-843. [4] U. Fano, Rep. Progr. Phys. 46 (1983) 97-165. [5] C.D. Lin, Adv. Atom. Mol. Phys. 22 (1986) 77-142. [6] A.G. Abrashkevich, D.G. Abrashkevich, M. Shapiro, Comput. Phys. Commun. 90 (1995) 311-339. [7] M.G. Dimova, M.S. Kaschiev, S.I. Vinitsky, J. Phys. B 38 (2005) 2337-2352. [8] O. Chuluunbaatar, A.A. Gusev, V.L. Derbov, M.S. Kaschiev, L.A. Melnikov, V.V. Serov, S.I. Vinitsky, J. Phys. A 40 (2007) 11485-11524. [9] O. Chuluunbaatar, A.A. Gusev, V.P. Gerdt, V.A. Rostovtsev, S.I. Vinitsky, A.G. Abrashkevich, M.S. Kaschiev, V.V. Serov, Comput. Phys. Commun. 178 (2007) 301 330; http://cpc.cs.qub.ac.uk/summaries/AEAAv10.html. [10] H.J. Assenbaum, K. Langanke, C. Rolfs, Z. Phys. A 327 (1987) 461-468. [11] V. Melezhik, Nucl. Phys. A 550 (1992) 223-234. [12] L. Bracci, G. Fiorentini, V.S. Melezhik, G. Mezzorani, P. Pasini, Phys. Lett. A 153 (1991) 456-460. [13] A.G. Abrashkevich, D.G. Abrashkevich, M.S. Kaschiev, I.V. Puzynin, Comput. Phys. Commun. 85 (1995) 40-64. [14] K.J. Bathe, Finite Element Procedures in Engineering Analysis, Englewood Cliffs, Prentice-Hall, New York, 1982.

Multidimensional characterisation of biomechanical structures by combining Atomic Force Microscopy and Focused Ion Beam: A study of the rat whisker.

PubMed

Adineh, Vahid Reza; Liu, Boyin; Rajan, Ramesh; Yan, Wenyi; Fu, Jing

2015-07-01

Understanding the heterogeneity of biological structures, particularly at the micro/nano scale can offer insights valuable for multidisciplinary research in tissue engineering and biomimicry designs. Here we propose to combine nanocharacterisation tools, particularly Focused Ion Beam (FIB) and Atomic Force Microscopy (AFM) for three dimensional mapping of mechanical modulus and chemical signatures. The prototype platform is applied to image and investigate the fundamental mechanics of the rat face whiskers, a high-acuity sensor used to gain detailed information about the world. Grazing angle FIB milling was first applied to expose the interior cross section of the rat whisker sample, followed by a "lift-out" method to retrieve and position the target sample for further analyses. AFM force spectroscopy measurements revealed a non-uniform pattern of elastic modulus across the cross section, with a range from 0.8GPa to 13.5GPa. The highest elastic modulus was found at the outer cuticle region of the whisker, and values gradually decreased towards the interior cortex and medulla regions. Elemental mapping with EDS confirmed that the interior of the rat whisker is dominated by C, O, N, S, Cl and K, with a significant change of elemental distribution close to the exterior cuticle region. Based on these data, a novel comprehensive three dimensional (3D) elastic modulus model was constructed, and stress distributions under realistic conditions were investigated with Finite Element Analysis (FEA). The simulations could well account for the passive whisker deflections, with calculated resonant frequency as well as force-deflection for the whiskers being in good agreement with reported experimental data. Limitations and further applications are discussed for the proposed FIB/AFM approach, which holds good promise as a unique platform to gain insights on various heterogeneous biomaterials and biomechanical systems. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Finite element analysis of structural engineering problems using a viscoplastic model incorporating two back stresses

NASA Technical Reports Server (NTRS)

Arya, Vinod K.; Halford, Gary R.

1993-01-01

The feasibility of a viscoplastic model incorporating two back stresses and a drag strength is investigated for performing nonlinear finite element analyses of structural engineering problems. To demonstrate suitability for nonlinear structural analyses, the model is implemented into a finite element program and analyses for several uniaxial and multiaxial problems are performed. Good agreement is shown between the results obtained using the finite element implementation and those obtained experimentally. The advantages of using advanced viscoplastic models for performing nonlinear finite element analyses of structural components are indicated.

Basic research on design analysis methods for rotorcraft vibrations

NASA Technical Reports Server (NTRS)

Hanagud, S.

1991-01-01

The objective of the present work was to develop a method for identifying physically plausible finite element system models of airframe structures from test data. The assumed models were based on linear elastic behavior with general (nonproportional) damping. Physical plausibility of the identified system matrices was insured by restricting the identification process to designated physical parameters only and not simply to the elements of the system matrices themselves. For example, in a large finite element model the identified parameters might be restricted to the moduli for each of the different materials used in the structure. In the case of damping, a restricted set of damping values might be assigned to finite elements based on the material type and on the fabrication processes used. In this case, different damping values might be associated with riveted, bolted and bonded elements. The method itself is developed first, and several approaches are outlined for computing the identified parameter values. The method is applied first to a simple structure for which the 'measured' response is actually synthesized from an assumed model. Both stiffness and damping parameter values are accurately identified. The true test, however, is the application to a full-scale airframe structure. In this case, a NASTRAN model and actual measured modal parameters formed the basis for the identification of a restricted set of physically plausible stiffness and damping parameters.

Space-Pseudo-Time Method: Application to the One-Dimensional Coulomb Potential and Density Funtional Theory

NASA Astrophysics Data System (ADS)

Weatherford, Charles; Gebremedhin, Daniel

2016-03-01

A new and efficient way of evolving a solution to an ordinary differential equation is presented. A finite element method is used where we expand in a convenient local basis set of functions that enforce both function and first derivative continuity across the boundaries of each element. We also implement an adaptive step size choice for each element that is based on a Taylor series expansion. The method is applied to solve for the eigenpairs of the one-dimensional soft-coulomb potential and the hard-coulomb limit is studied. The method is then used to calculate a numerical solution of the Kohn-Sham differential equation within the local density approximation is presented and is applied to the helium atom. Supported by the National Nuclear Security Agency, the Nuclear Regulatory Commission, and the Defense Threat Reduction Agency.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saha, Sourabh K.

Although geometric imperfections have a detrimental effect on buckling, imperfection sensitivity has not been well studied in the past during design of sinusoidal micro and nano-scale structures via wrinkling of supported thin films. This is likely because one is more interested in predicting the shape/size of the resultant patterns than the buckling bifurcation onset strain during fabrication of such wrinkled structures. Herein, I have demonstrated that even modest geometric imperfections alter the final wrinkled mode shapes via the mode locking phenomenon wherein the imperfection mode grows in exclusion to the natural mode of the system. To study the effect ofmore » imperfections on mode locking, I have (i) developed a finite element mesh perturbation scheme to generate arbitrary geometric imperfections in the system and (ii) performed a parametric study via finite element methods to link the amplitude and period of the sinusoidal imperfections to the observed wrinkle mode shape and size. Based on this, a non-dimensional geometric parameter has been identified that characterizes the effect of imperfection on the mode locking phenomenon – the equivalent imperfection size. An upper limit for this equivalent imperfection size has been identified via a combination of analytical and finite element modeling. During compression of supported thin films, the system gets “locked” into the imperfection mode if its equivalent imperfection size is above this critical limit. For the polydimethylsiloxane/glass bilayer with a wrinkle period of 2 µm, this mode lock-in limit corresponds to an imperfection amplitude of 32 nm for an imperfection period of 5 µm and 8 nm for an imperfection period of 0.8 µm. Interestingly, when the non-dimensional critical imperfection size is scaled by the bifurcation onset strain, the scaled critical size depends solely on the ratio of the imperfection to natural periods. Furthermore, the computational data generated here can be generalized beyond the specific natural periods and bilayer systems studied to enable deterministic design of a variety of wrinkled micro and nano-scale structures.« less

Toward atomic-scale bright-field electron tomography for the study of fullerene-like nanostructures.

PubMed

Bar Sadan, Maya; Houben, Lothar; Wolf, Sharon G; Enyashin, Andrey; Seifert, Gotthard; Tenne, Reshef; Urban, Knut

2008-03-01

We present the advancement of electron tomography for three-dimensional structure reconstruction of fullerene-like particles toward atomic-scale resolution. The three-dimensional reconstruction of nested molybdenum disulfide nanooctahedra is achieved by the combination of low voltage operation of the electron microscope with aberration-corrected phase contrast imaging. The method enables the study of defects and irregularities in the three-dimensional structure of individual fullerene-like particles on the scale of 2-3 A. Control over shape, size, and atomic architecture is a key issue in synthesis and design of functional nanoparticles. Transmission electron microscopy (TEM) is the primary technique to characterize materials down to the atomic level, albeit the images are two-dimensional projections of the studied objects. Recent advancements in aberration-corrected TEM have demonstrated single atom sensitivity for light elements at subångström resolution. Yet, the resolution of tomographic schemes for three-dimensional structure reconstruction has not surpassed 1 nm3, preventing it from becoming a powerful tool for characterization in the physical sciences on the atomic scale. Here we demonstrate that negative spherical aberration imaging at low acceleration voltage enables tomography down to the atomic scale at reduced radiation damage. First experimental data on the three-dimensional reconstruction of nested molybdenum disulfide nanooctahedra is presented. The method is applicable to the analysis of the atomic architecture of a wide range of nanostructures where strong electron channeling is absent, in particular to carbon fullerenes and inorganic fullerenes.

Nonlinear finite-element analysis of nanoindentation of viral capsids

NASA Astrophysics Data System (ADS)

Gibbons, Melissa M.; Klug, William S.

2007-03-01

Recent atomic force microscope (AFM) nanoindentation experiments measuring mechanical response of the protein shells of viruses have provided a quantitative description of their strength and elasticity. To better understand and interpret these measurements, and to elucidate the underlying mechanisms, this paper adopts a course-grained modeling approach within the framework of three-dimensional nonlinear continuum elasticity. Homogeneous, isotropic, elastic, thick-shell models are proposed for two capsids: the spherical cowpea chlorotic mottle virus (CCMV), and the ellipsocylindrical bacteriophage ϕ29 . As analyzed by the finite-element method, these models enable parametric characterization of the effects of AFM tip geometry, capsid dimensions, and capsid constitutive descriptions. The generally nonlinear force response of capsids to indentation is shown to be insensitive to constitutive particulars, and greatly influenced by geometric and kinematic details. Nonlinear stiffening and softening of the force response is dependent on the AFM tip dimensions and shell thickness. Fits of the models capture the roughly linear behavior observed in experimental measurements and result in estimates of Young’s moduli of ≈280-360MPa for CCMV and ≈4.5GPa for ϕ29 .

Mechanics of microtubules: effects of protofilament orientation.

PubMed

Donhauser, Zachary J; Jobs, William B; Binka, Edem C

2010-09-08

Microtubules are hollow cylindrical polymers of the protein tubulin that play a number of important dynamic and structural roles in eukaryotic cells. Both in vivo and in vitro microtubules can exist in several possible configurations, differing in the number of protofilaments, helical rise of tubulin dimers, and protofilament skew angle with respect to the main tube axis. Here, finite element modeling is applied to examine the mechanical response of several known microtubule types when subjected to radial deformation. The data presented here provide an important insight into microtubule stiffness and reveal that protofilament orientation does not affect radial stiffness. Rather, stiffness is primarily dependent on the effective Young's modulus of the polymerized material and the effective radius of the microtubule. These results are also directly correlated to atomic force microscopy nanoindentation measurements to allow a more detailed interpretation of previous experiments. When combined with experimental data that show a significant difference between microtubules stabilized with a slowly hydrolyzable GTP analog and microtubules stabilized with paclitaxel, the finite element data suggest that paclitaxel increases the overall radial flexibility of the microtubule wall. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Mechanics of Microtubules: Effects of Protofilament Orientation

PubMed Central

Donhauser, Zachary J.; Jobs, William B.; Binka, Edem C.

2010-01-01

Microtubules are hollow cylindrical polymers of the protein tubulin that play a number of important dynamic and structural roles in eukaryotic cells. Both in vivo and in vitro microtubules can exist in several possible configurations, differing in the number of protofilaments, helical rise of tubulin dimers, and protofilament skew angle with respect to the main tube axis. Here, finite element modeling is applied to examine the mechanical response of several known microtubule types when subjected to radial deformation. The data presented here provide an important insight into microtubule stiffness and reveal that protofilament orientation does not affect radial stiffness. Rather, stiffness is primarily dependent on the effective Young's modulus of the polymerized material and the effective radius of the microtubule. These results are also directly correlated to atomic force microscopy nanoindentation measurements to allow a more detailed interpretation of previous experiments. When combined with experimental data that show a significant difference between microtubules stabilized with a slowly hydrolyzable GTP analog and microtubules stabilized with paclitaxel, the finite element data suggest that paclitaxel increases the overall radial flexibility of the microtubule wall. PMID:20816081

Traction free finite elements with the assumed stress hybrid model. M.S. Thesis, 1981

NASA Technical Reports Server (NTRS)

Kafie, Kurosh

1991-01-01

An effective approach in the finite element analysis of the stress field at the traction free boundary of a solid continuum was studied. Conventional displacement and assumed stress finite elements were used in the determination of stress concentrations around circular and elliptical holes. Specialized hybrid elements were then developed to improve the satisfaction of prescribed traction boundary conditions. Results of the stress analysis indicated that finite elements which exactly satisfy the free stress boundary conditions are the most accurate and efficient in such problems. A general approach for hybrid finite elements which incorporate traction free boundaries of arbitrary geometry was formulated.

Improving finite element results in modeling heart valve mechanics.

PubMed

Earl, Emily; Mohammadi, Hadi

2018-06-01

Finite element analysis is a well-established computational tool which can be used for the analysis of soft tissue mechanics. Due to the structural complexity of the leaflet tissue of the heart valve, the currently available finite element models do not adequately represent the leaflet tissue. A method of addressing this issue is to implement computationally expensive finite element models, characterized by precise constitutive models including high-order and high-density mesh techniques. In this study, we introduce a novel numerical technique that enhances the results obtained from coarse mesh finite element models to provide accuracy comparable to that of fine mesh finite element models while maintaining a relatively low computational cost. Introduced in this study is a method by which the computational expense required to solve linear and nonlinear constitutive models, commonly used in heart valve mechanics simulations, is reduced while continuing to account for large and infinitesimal deformations. This continuum model is developed based on the least square algorithm procedure coupled with the finite difference method adhering to the assumption that the components of the strain tensor are available at all nodes of the finite element mesh model. The suggested numerical technique is easy to implement, practically efficient, and requires less computational time compared to currently available commercial finite element packages such as ANSYS and/or ABAQUS.

Phase-space finite elements in a least-squares solution of the transport equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Drumm, C.; Fan, W.; Pautz, S.

2013-07-01

The linear Boltzmann transport equation is solved using a least-squares finite element approximation in the space, angular and energy phase-space variables. The method is applied to both neutral particle transport and also to charged particle transport in the presence of an electric field, where the angular and energy derivative terms are handled with the energy/angular finite elements approximation, in a manner analogous to the way the spatial streaming term is handled. For multi-dimensional problems, a novel approach is used for the angular finite elements: mapping the surface of a unit sphere to a two-dimensional planar region and using a meshingmore » tool to generate a mesh. In this manner, much of the spatial finite-elements machinery can be easily adapted to handle the angular variable. The energy variable and the angular variable for one-dimensional problems make use of edge/beam elements, also building upon the spatial finite elements capabilities. The methods described here can make use of either continuous or discontinuous finite elements in space, angle and/or energy, with the use of continuous finite elements resulting in a smaller problem size and the use of discontinuous finite elements resulting in more accurate solutions for certain types of problems. The work described in this paper makes use of continuous finite elements, so that the resulting linear system is symmetric positive definite and can be solved with a highly efficient parallel preconditioned conjugate gradients algorithm. The phase-space finite elements capability has been built into the Sceptre code and applied to several test problems, including a simple one-dimensional problem with an analytic solution available, a two-dimensional problem with an isolated source term, showing how the method essentially eliminates ray effects encountered with discrete ordinates, and a simple one-dimensional charged-particle transport problem in the presence of an electric field. (authors)« less

Quality-assurance study of the special - purpose finite-element program - SPECTROM: I. Thermal, thermoelastic, and viscoelastic problems. [Comparison with MARC-CDC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wagner, R.A.

1980-12-01

This comparison study involves a preliminary verification of finite element calculations. The methodology of the comparison study consists of solving four example problems with both the SPECTROM finite element program and the MARC-CDC general purpose finite element program. The results show close agreement for all example problems.

Finite Element Analysis of Particle Ionization within Carbon Nanotube Ion Micro Thruster

DTIC Science & Technology

2017-12-01

NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS Approved for public release. Distribution is unlimited. FINITE ELEMENT ...AND DATES COVERED Master’s thesis 4. TITLE AND SUBTITLE FINITE ELEMENT ANALYSIS OF PARTICLE IONIZATION WITHIN CARBON NANOTUBE ION MICRO THRUSTER 5...simulation, carbon nanotube simulation, microsatellite, finite element analysis, electric field, particle tracing 15. NUMBER OF PAGES 55 16. PRICE

Multi Length Scale Finite Element Design Framework for Advanced Woven Fabrics

NASA Astrophysics Data System (ADS)

Erol, Galip Ozan

Woven fabrics are integral parts of many engineering applications spanning from personal protective garments to surgical scaffolds. They provide a wide range of opportunities in designing advanced structures because of their high tenacity, flexibility, high strength-to-weight ratios and versatility. These advantages result from their inherent multi scale nature where the filaments are bundled together to create yarns while the yarns are arranged into different weave architectures. Their highly versatile nature opens up potential for a wide range of mechanical properties which can be adjusted based on the application. While woven fabrics are viable options for design of various engineering systems, being able to understand the underlying mechanisms of the deformation and associated highly nonlinear mechanical response is important and necessary. However, the multiscale nature and relationships between these scales make the design process involving woven fabrics a challenging task. The objective of this work is to develop a multiscale numerical design framework using experimentally validated mesoscopic and macroscopic length scale approaches by identifying important deformation mechanisms and recognizing the nonlinear mechanical response of woven fabrics. This framework is exercised by developing mesoscopic length scale constitutive models to investigate plain weave fabric response under a wide range of loading conditions. A hyperelastic transversely isotropic yarn material model with transverse material nonlinearity is developed for woven yarns (commonly used in personal protection garments). The material properties/parameters are determined through an inverse method where unit cell finite element simulations are coupled with experiments. The developed yarn material model is validated by simulating full scale uniaxial tensile, bias extension and indentation experiments, and comparing to experimentally observed mechanical response and deformation mechanisms. Moreover, mesoscopic unit cell finite elements are coupled with a design-of-experiments method to systematically identify the important yarn material properties for the macroscale response of various weave architectures. To demonstrate the macroscopic length scale approach, two new material models for woven fabrics were developed. The Planar Material Model (PMM) utilizes two important deformation mechanisms in woven fabrics: (1) yarn elongation, and (2) relative yarn rotation due to shear loads. The yarns' uniaxial tensile response is modeled with a nonlinear spring using constitutive relations while a nonlinear rotational spring is implemented to define fabric's shear stiffness. The second material model, Sawtooth Material Model (SMM) adopts the sawtooth geometry while recognizing the biaxial nature of woven fabrics by implementing the interactions between the yarns. Material properties/parameters required by both PMM and SMM can be directly determined from standard experiments. Both macroscopic material models are implemented within an explicit finite element code and validated by comparing to the experiments. Then, the developed macroscopic material models are compared under various loading conditions to determine their accuracy. Finally, the numerical models developed in the mesoscopic and macroscopic length scales are linked thus demonstrating the new systematic design framework involving linked mesoscopic and macroscopic length scale modeling approaches. The approach is demonstrated with both Planar and Sawtooth Material Models and the simulation results are verified by comparing the results obtained from meso and macro models.

Slip Continuity in Explicit Crystal Plasticity Simulations Using Nonlocal Continuum and Semi-discrete Approaches

DTIC Science & Technology

2013-01-01

Based Micropolar Single Crystal Plasticity: Comparison of Multi - and Single Criterion Theories. J. Mech. Phys. Solids 2011, 59, 398–422. ALE3D ...element boundaries in a multi -step constitutive evaluation (Becker, 2011). The results showed the desired effects of smoothing the deformation field...Implementation The model was implemented in the large-scale parallel, explicit finite element code ALE3D (2012). The crystal plasticity

Long-wavelength microinstabilities in toroidal plasmas*

NASA Astrophysics Data System (ADS)

Tang, W. M.; Rewoldt, G.

1993-07-01

Realistic kinetic toroidal eigenmode calculations have been carried out to support a proper assessment of the influence of long-wavelength microturbulence on transport in tokamak plasmas. In order to efficiently evaluate large-scale kinetic behavior extending over many rational surfaces, significant improvements have been made to a toroidal finite element code used to analyze the fully two-dimensional (r,θ) mode structures of trapped-ion and toroidal ion temperature gradient (ITG) instabilities. It is found that even at very long wavelengths, these eigenmodes exhibit a strong ballooning character with the associated radial structure relatively insensitive to ion Landau damping at the rational surfaces. In contrast to the long-accepted picture that the radial extent of trapped-ion instabilities is characterized by the ion-gyroradius-scale associated with strong localization between adjacent rational surfaces, present results demonstrate that under realistic conditions, the actual scale is governed by the large-scale variations in the equilibrium gradients. Applications to recent measurements of fluctuation properties in Tokamak Fusion Test Reactor (TFTR) [Plasma Phys. Controlled Nucl. Fusion Res. (International Atomic Energy Agency, Vienna, 1985), Vol. 1, p. 29] L-mode plasmas indicate that the theoretical trends appear consistent with spectral characteristics as well as rough heuristic estimates of the transport level. Benchmarking calculations in support of the development of a three-dimensional toroidal gyrokinetic code indicate reasonable agreement with respect to both the properties of the eigenfunctions and the magnitude of the eigenvalues during the linear phase of the simulations of toroidal ITG instabilities.

Closing in on chemical bonds by opening up relativity theory.

PubMed

Whitney, Cynthia K

2008-03-01

This paper develops a connection between the phenomenology of chemical bonding and the theory of relativity. Empirical correlations between electron numbers in atoms and chemical bond stabilities in molecules are first reviewed and extended. Quantitative chemical bond strengths are then related to ionization potentials in elements. Striking patterns in ionization potentials are revealed when the data are viewed in an element-independent way, where element-specific details are removed via an appropriate scaling law. The scale factor involved is not explained by quantum mechanics; it is revealed only when one goes back further, to the development of Einstein's special relativity theory.

Finite element analysis in fluids; Proceedings of the Seventh International Conference on Finite Element Methods in Flow Problems, University of Alabama, Huntsville, Apr. 3-7, 1989

NASA Technical Reports Server (NTRS)

Chung, T. J. (Editor); Karr, Gerald R. (Editor)

1989-01-01

Recent advances in computational fluid dynamics are examined in reviews and reports, with an emphasis on finite-element methods. Sections are devoted to adaptive meshes, atmospheric dynamics, combustion, compressible flows, control-volume finite elements, crystal growth, domain decomposition, EM-field problems, FDM/FEM, and fluid-structure interactions. Consideration is given to free-boundary problems with heat transfer, free surface flow, geophysical flow problems, heat and mass transfer, high-speed flow, incompressible flow, inverse design methods, MHD problems, the mathematics of finite elements, and mesh generation. Also discussed are mixed finite elements, multigrid methods, non-Newtonian fluids, numerical dissipation, parallel vector processing, reservoir simulation, seepage, shallow-water problems, spectral methods, supercomputer architectures, three-dimensional problems, and turbulent flows.

Efficient partitioning and assignment on programs for multiprocessor execution

NASA Technical Reports Server (NTRS)

Standley, Hilda M.

1993-01-01

The general problem studied is that of segmenting or partitioning programs for distribution across a multiprocessor system. Efficient partitioning and the assignment of program elements are of great importance since the time consumed in this overhead activity may easily dominate the computation, effectively eliminating any gains made by the use of the parallelism. In this study, the partitioning of sequentially structured programs (written in FORTRAN) is evaluated. Heuristics, developed for similar applications are examined. Finally, a model for queueing networks with finite queues is developed which may be used to analyze multiprocessor system architectures with a shared memory approach to the problem of partitioning. The properties of sequentially written programs form obstacles to large scale (at the procedure or subroutine level) parallelization. Data dependencies of even the minutest nature, reflecting the sequential development of the program, severely limit parallelism. The design of heuristic algorithms is tied to the experience gained in the parallel splitting. Parallelism obtained through the physical separation of data has seen some success, especially at the data element level. Data parallelism on a grander scale requires models that accurately reflect the effects of blocking caused by finite queues. A model for the approximation of the performance of finite queueing networks is developed. This model makes use of the decomposition approach combined with the efficiency of product form solutions.

Use of edge-based finite elements for solving three dimensional scattering problems

NASA Technical Reports Server (NTRS)

Chatterjee, A.; Jin, J. M.; Volakis, John L.

1991-01-01

Edge based finite elements are free from drawbacks associated with node based vectorial finite elements and are, therefore, ideal for solving 3-D scattering problems. The finite element discretization using edge elements is checked by solving for the resonant frequencies of a closed inhomogeneously filled metallic cavity. Great improvements in accuracy are observed when compared to the classical node based approach with no penalty in terms of computational time and with the expected absence of spurious modes. A performance comparison between the edge based tetrahedra and rectangular brick elements is carried out and tetrahedral elements are found to be more accurate than rectangular bricks for a given storage intensity. A detailed formulation for the scattering problem with various approaches for terminating the finite element mesh is also presented.

A Finite Element Analysis of a Class of Problems in Elasto-Plasticity with Hidden Variables.

DTIC Science & Technology

1985-09-01

RD-R761 642 A FINITE ELEMENT ANALYSIS OF A CLASS OF PROBLEMS IN 1/2 ELASTO-PLASTICITY MIlT (U) TEXAS INST FOR COMPUTATIONAL MECHANICS AUSTIN J T ODEN...end Subtitle) S. TYPE OF REPORT & PERIOD COVERED A FINITE ELEMENT ANALYSIS OF A CLASS OF PROBLEMS Final Report IN ELASTO-PLASTICITY WITH HIDDEN...aieeoc ede It neceeeary nd Identify by block number) ;"Elastoplasticity, finite deformations; non-convex analysis ; finite element methods, metal forming

Stabilized Finite Elements in FUN3D

NASA Technical Reports Server (NTRS)

Anderson, W. Kyle; Newman, James C.; Karman, Steve L.

2017-01-01

A Streamlined Upwind Petrov-Galerkin (SUPG) stabilized finite-element discretization has been implemented as a library into the FUN3D unstructured-grid flow solver. Motivation for the selection of this methodology is given, details of the implementation are provided, and the discretization for the interior scheme is verified for linear and quadratic elements by using the method of manufactured solutions. A methodology is also described for capturing shocks, and simulation results are compared to the finite-volume formulation that is currently the primary method employed for routine engineering applications. The finite-element methodology is demonstrated to be more accurate than the finite-volume technology, particularly on tetrahedral meshes where the solutions obtained using the finite-volume scheme can suffer from adverse effects caused by bias in the grid. Although no effort has been made to date to optimize computational efficiency, the finite-element scheme is competitive with the finite-volume scheme in terms of computer time to reach convergence.

SUPG Finite Element Simulations of Compressible Flows

NASA Technical Reports Server (NTRS)

Kirk, Brnjamin, S.

2006-01-01

The Streamline-Upwind Petrov-Galerkin (SUPG) finite element simulations of compressible flows is presented. The topics include: 1) Introduction; 2) SUPG Galerkin Finite Element Methods; 3) Applications; and 4) Bibliography.

Stream-sediment samples reanalyzed for major, rare earth, and trace elements from ten 1:250,000-scale quadrangles, south-central Alaska, 2007-08

USGS Publications Warehouse

Bailey, Elizabeth A.; Shew, Nora B.; Labay, Keith A.; Schmidt, Jeanine M.; O'Leary, Richard M.; Detra, David E.

2010-01-01

During the 1960s through the 1980s, the U.S. Geological Survey (USGS) conducted reconnaissance geochemical surveys of the drainage basins throughout most of the Anchorage, Bering Glacier, Big Delta, Gulkana, Healy, McCarthy, Mount Hayes, Nabesna, Talkeetna Mountains, and Valdez 1:250,000-scale quadrangles in Alaska as part of the Alaska Mineral Resource Assessment Program (AMRAP). These geochemical surveys provide data necessary to assess the potential for undiscovered mineral resources on public and other lands, and provide data that may be used to determine regional-scale element baselines. This report provides new data for 366 of the previously collected stream-sediment samples. These samples were selected for reanalysis because recently developed analytical methods can detect additional elements of interest and have lower detection limits than the methods used when these samples were originally analyzed. These samples were all analyzed for arsenic by hydride generation atomic absorption spectrometry (HGAAS), for gold, palladium, and platinum by inductively coupled plasma-mass spectrometry after lead button fire assay separation (FA/ICP-MS), and for a suite of 55 major, rare earth, and trace elements by inductively coupled plasma-atomic emission spectrometry and inductively coupled plasma-mass spectrometry (ICP-AES-MS) after sodium peroxide sinter at 450 degrees Celsius.

High mobility of large mass movements: a study by means of FEM/DEM simulations

NASA Astrophysics Data System (ADS)

Manzella, I.; Lisjak, A.; Grasselli, G.

2013-12-01

Large mass movements, such as rock avalanches and large volcanic debris avalanches are characterized by extremely long propagation, which cannot be modelled using normal sliding friction law. For this reason several studies and theories derived from field observation, physical theories and laboratory experiments, exist to try to explain their high mobility. In order to investigate more into deep some of the processes recalled by these theories, simulations have been run with a new numerical tool called Y-GUI based on the Finite Element-Discrete Element Method FEM/DEM. The FEM/DEM method is a numerical technique developed by Munjiza et al. (1995) where Discrete Element Method (DEM) algorithms are used to model the interaction between different solids, while Finite Element Method (FEM) principles are used to analyze their deformability being also able to explicitly simulate material sudden loss of cohesion (i.e. brittle failure). In particular numerical tests have been run, inspired by the small-scale experiments done by Manzella and Labiouse (2013). They consist of rectangular blocks released on a slope; each block is a rectangular discrete element made of a mesh of finite elements enabled to fragment. These simulations have highlighted the influence on the propagation of block packing, i.e. whether the elements are piled into geometrical ordinate structure before failure or they are chaotically disposed as a loose material, and of the topography, i.e. whether the slope break is smooth and regular or not. In addition the effect of fracturing, i.e. fragmentation, on the total runout have been studied and highlighted.

On the effects of grid ill-conditioning in three dimensional finite element vector potential magnetostatic field computations

NASA Technical Reports Server (NTRS)

Wang, R.; Demerdash, N. A.

1990-01-01

The effects of finite element grid geometries and associated ill-conditioning were studied in single medium and multi-media (air-iron) three dimensional magnetostatic field computation problems. The sensitivities of these 3D field computations to finite element grid geometries were investigated. It was found that in single medium applications the unconstrained magnetic vector potential curl-curl formulation in conjunction with first order finite elements produce global results which are almost totally insensitive to grid geometries. However, it was found that in multi-media (air-iron) applications first order finite element results are sensitive to grid geometries and consequent elemental shape ill-conditioning. These sensitivities were almost totally eliminated by means of the use of second order finite elements in the field computation algorithms. Practical examples are given in this paper to demonstrate these aspects mentioned above.

Plasmonic cloak using graphene at infrared frequencies

NASA Astrophysics Data System (ADS)

Li, Yan Xiu; Kong, Fan Min; Li, Kang; Zhuang, Hua Wei

2015-11-01

A carpet cloak based on graphene is designed and realized by making an approximate hemisphere surface which behaves as a flat surface, and the performances of the cloak are simulated by finite element method. The cloak performs perfectly through tuning conductivity of the graphene. The incident wave can propagate on the curved surface without being disturbed, and an object under the curved surface will be cloaked. It is indicated that graphene can be a platform for "on-atom-thick" cloaks, and the proposed methods can be applied in the practical design.

Scale and Time Effects in Hydraulic Fracturing.

DTIC Science & Technology

1984-07-01

An experimental study was conducted to determine the effects of scale and time on hydraulic fracturing in compacted samples of Teton Dam silt and...occurrence of hydraulic fracturing . Finite element analyses were used to investigate the possible effects of nonlinear soil behavior. Both experimental and...theoretical studies show that hydraulic fracturing can be initiated by seepage-induced forces without the presence of a preexisting flaw in the soil. (Author)

Finite Element Modeling of Scattering from Underwater Proud and Buried Military Munitions

DTIC Science & Technology

2017-02-28

FINAL REPORT Finite Element Modeling of Scattering from Underwater Proud and Buried Military Munitions SERDP Project MR-2408 JULY 2017...solution and the red dash-dot line repre- sents the coupled finite -boundary element solution. . . . . . . . . . . . . . . . . . 11 3 The scattering...dot line represents the coupled finite -boundary element solution. . . . . . . . 11 i 4 The scattering amplitude as a function of the receiver angle for

Modeling Impact-induced Failure of Polysilicon MEMS: A Multi-scale Approach.

PubMed

Mariani, Stefano; Ghisi, Aldo; Corigliano, Alberto; Zerbini, Sarah

2009-01-01

Failure of packaged polysilicon micro-electro-mechanical systems (MEMS) subjected to impacts involves phenomena occurring at several length-scales. In this paper we present a multi-scale finite element approach to properly allow for: (i) the propagation of stress waves inside the package; (ii) the dynamics of the whole MEMS; (iii) the spreading of micro-cracking in the failing part(s) of the sensor. Through Monte Carlo simulations, some effects of polysilicon micro-structure on the failure mode are elucidated.

Finite elements and finite differences for transonic flow calculations

NASA Technical Reports Server (NTRS)

Hafez, M. M.; Murman, E. M.; Wellford, L. C.

1978-01-01

The paper reviews the chief finite difference and finite element techniques used for numerical solution of nonlinear mixed elliptic-hyperbolic equations governing transonic flow. The forms of the governing equations for unsteady two-dimensional transonic flow considered are the Euler equation, the full potential equation in both conservative and nonconservative form, the transonic small-disturbance equation in both conservative and nonconservative form, and the hodograph equations for the small-disturbance case and the full-potential case. Finite difference methods considered include time-dependent methods, relaxation methods, semidirect methods, and hybrid methods. Finite element methods include finite element Lax-Wendroff schemes, implicit Galerkin method, mixed variational principles, dual iterative procedures, optimal control methods and least squares.

Cognitive-graphic method for constructing of hierarchical forms of basic functions of biquadratic finite element

NASA Astrophysics Data System (ADS)

Astionenko, I. O.; Litvinenko, O. I.; Osipova, N. V.; Tuluchenko, G. Ya.; Khomchenko, A. N.

2016-10-01

Recently the interpolation bases of the hierarchical type have been used for the problem solving of the approximation of multiple arguments functions (such as in the finite-element method). In this work the cognitive graphical method of constructing of the hierarchical form bases on the serendipity finite elements is suggested, which allowed to get the alternative bases on a biquadratic finite element from the serendipity family without internal knots' inclusion. The cognitive-graphic method allowed to improve the known interpolation procedure of Taylor and to get the modified elements with irregular arrangement of knots. The proposed procedures are universal and are spread in the area of finite-elements.

Engine dynamic analysis with general nonlinear finite element codes. Part 2: Bearing element implementation overall numerical characteristics and benchmaking

NASA Technical Reports Server (NTRS)

Padovan, J.; Adams, M.; Fertis, J.; Zeid, I.; Lam, P.

1982-01-01

Finite element codes are used in modelling rotor-bearing-stator structure common to the turbine industry. Engine dynamic simulation is used by developing strategies which enable the use of available finite element codes. benchmarking the elements developed are benchmarked by incorporation into a general purpose code (ADINA); the numerical characteristics of finite element type rotor-bearing-stator simulations are evaluated through the use of various types of explicit/implicit numerical integration operators. Improving the overall numerical efficiency of the procedure is improved.

Extension to linear dynamics for hybrid stress finite element formulation based on additional displacements

NASA Astrophysics Data System (ADS)

Sumihara, K.

Based upon legitimate variational principles, one microscopic-macroscopic finite element formulation for linear dynamics is presented by Hybrid Stress Finite Element Method. The microscopic application of Geometric Perturbation introduced by Pian and the introduction of infinitesimal limit core element (Baby Element) have been consistently combined according to the flexible and inherent interpretation of the legitimate variational principles initially originated by Pian and Tong. The conceptual development based upon Hybrid Finite Element Method is extended to linear dynamics with the introduction of physically meaningful higher modes.

Assessing uncertainty in the turbulent upper-ocean mixed layer using an unstructured finite-element solver

NASA Astrophysics Data System (ADS)

Pacheco, Luz; Smith, Katherine; Hamlington, Peter; Niemeyer, Kyle

2017-11-01

Vertical transport flux in the ocean upper mixed layer has recently been attributed to submesoscale currents, which occur at scales on the order of kilometers in the horizontal direction. These phenomena, which include fronts and mixed-layer instabilities, have been of particular interest due to the effect of turbulent mixing on nutrient transport, facilitating phytoplankton blooms. We study these phenomena using a non-hydrostatic, large eddy simulation for submesoscale currents in the ocean, developed using the extensible, open-source finite element platform FEniCs. Our model solves the standard Boussinesq Euler equations in variational form using the finite element method. FEniCs enables the use of parallel computing on modern systems for efficient computing time, and is suitable for unstructured grids where irregular topography can be considered in the future. The solver will be verified against the well-established NCAR-LES model and validated against observational data. For the verification with NCAR-LES, the velocity, pressure, and buoyancy fields are compared through a surface-wind-driven, open-ocean case. We use this model to study the impacts of uncertainties in the model parameters, such as near-surface buoyancy flux and secondary circulation, and discuss implications.

Dynamic analysis of a needle insertion for soft materials: Arbitrary Lagrangian-Eulerian-based three-dimensional finite element analysis.

PubMed

Yamaguchi, Satoshi; Tsutsui, Kihei; Satake, Koji; Morikawa, Shigehiro; Shirai, Yoshiaki; Tanaka, Hiromi T

2014-10-01

Our goal was to develop a three-dimensional finite element model that enables dynamic analysis of needle insertion for soft materials. To demonstrate large deformation and fracture, we used the arbitrary Lagrangian-Eulerian (ALE) method for fluid analysis. We performed ALE-based finite element analysis for 3% agar gel and three types of copper needle with bevel tips. To evaluate simulation results, we compared the needle deflection and insertion force with corresponding experimental results acquired with a uniaxial manipulator. We studied the shear stress distribution of agar gel on various time scales. For 30°, 45°, and 60°, differences in deflections of each needle between both sets of results were 2.424, 2.981, and 3.737mm, respectively. For the insertion force, there was no significant difference for mismatching area error (p<0.05) between simulation and experimental results. Our results have the potential to be a stepping stone to develop pre-operative surgical planning to estimate an optimal needle insertion path for MR image-guided microwave coagulation therapy and for analyzing large deformation and fracture in biological tissues. Copyright © 2014 Elsevier Ltd. All rights reserved.

H-P adaptive methods for finite element analysis of aerothermal loads in high-speed flows

NASA Technical Reports Server (NTRS)

Chang, H. J.; Bass, J. M.; Tworzydlo, W.; Oden, J. T.

1993-01-01

The commitment to develop the National Aerospace Plane and Maneuvering Reentry Vehicles has generated resurgent interest in the technology required to design structures for hypersonic flight. The principal objective of this research and development effort has been to formulate and implement a new class of computational methodologies for accurately predicting fine scale phenomena associated with this class of problems. The initial focus of this effort was to develop optimal h-refinement and p-enrichment adaptive finite element methods which utilize a-posteriori estimates of the local errors to drive the adaptive methodology. Over the past year this work has specifically focused on two issues which are related to overall performance of a flow solver. These issues include the formulation and implementation (in two dimensions) of an implicit/explicit flow solver compatible with the hp-adaptive methodology, and the design and implementation of computational algorithm for automatically selecting optimal directions in which to enrich the mesh. These concepts and algorithms have been implemented in a two-dimensional finite element code and used to solve three hypersonic flow benchmark problems (Holden Mach 14.1, Edney shock on shock interaction Mach 8.03, and the viscous backstep Mach 4.08).

Efficient combination of a 3D Quasi-Newton inversion algorithm and a vector dual-primal finite element tearing and interconnecting method

NASA Astrophysics Data System (ADS)

Voznyuk, I.; Litman, A.; Tortel, H.

2015-08-01

A Quasi-Newton method for reconstructing the constitutive parameters of three-dimensional (3D) penetrable scatterers from scattered field measurements is presented. This method is adapted for handling large-scale electromagnetic problems while keeping the memory requirement and the time flexibility as low as possible. The forward scattering problem is solved by applying the finite-element tearing and interconnecting full-dual-primal (FETI-FDP2) method which shares the same spirit as the domain decomposition methods for finite element methods. The idea is to split the computational domain into smaller non-overlapping sub-domains in order to simultaneously solve local sub-problems. Various strategies are proposed in order to efficiently couple the inversion algorithm with the FETI-FDP2 method: a separation into permanent and non-permanent subdomains is performed, iterative solvers are favorized for resolving the interface problem and a marching-on-in-anything initial guess selection further accelerates the process. The computational burden is also reduced by applying the adjoint state vector methodology. Finally, the inversion algorithm is confronted to measurements extracted from the 3D Fresnel database.

A fast solver for the Helmholtz equation based on the generalized multiscale finite-element method

NASA Astrophysics Data System (ADS)

Fu, Shubin; Gao, Kai

2017-11-01

Conventional finite-element methods for solving the acoustic-wave Helmholtz equation in highly heterogeneous media usually require finely discretized mesh to represent the medium property variations with sufficient accuracy. Computational costs for solving the Helmholtz equation can therefore be considerably expensive for complicated and large geological models. Based on the generalized multiscale finite-element theory, we develop a novel continuous Galerkin method to solve the Helmholtz equation in acoustic media with spatially variable velocity and mass density. Instead of using conventional polynomial basis functions, we use multiscale basis functions to form the approximation space on the coarse mesh. The multiscale basis functions are obtained from multiplying the eigenfunctions of a carefully designed local spectral problem with an appropriate multiscale partition of unity. These multiscale basis functions can effectively incorporate the characteristics of heterogeneous media's fine-scale variations, thus enable us to obtain accurate solution to the Helmholtz equation without directly solving the large discrete system formed on the fine mesh. Numerical results show that our new solver can significantly reduce the dimension of the discrete Helmholtz equation system, and can also obviously reduce the computational time.

Finite Macro-Element Mesh Deformation in a Structured Multi-Block Navier-Stokes Code

NASA Technical Reports Server (NTRS)

Bartels, Robert E.

2005-01-01

A mesh deformation scheme is developed for a structured multi-block Navier-Stokes code consisting of two steps. The first step is a finite element solution of either user defined or automatically generated macro-elements. Macro-elements are hexagonal finite elements created from a subset of points from the full mesh. When assembled, the finite element system spans the complete flow domain. Macro-element moduli vary according to the distance to the nearest surface, resulting in extremely stiff elements near a moving surface and very pliable elements away from boundaries. Solution of the finite element system for the imposed boundary deflections generally produces smoothly varying nodal deflections. The manner in which distance to the nearest surface has been found to critically influence the quality of the element deformation. The second step is a transfinite interpolation which distributes the macro-element nodal deflections to the remaining fluid mesh points. The scheme is demonstrated for several two-dimensional applications.

Thermal properties of composite materials : effective conductivity tensor and edge effects

NASA Astrophysics Data System (ADS)

Matine, A.; Boyard, N.; Cartraud, P.; Legrain, G.; Jarny, Y.

2012-11-01

The homogenization theory is a powerful approach to determine the effective thermal conductivity tensor of heterogeneous materials such as composites, including thermoset matrix and fibres. Once the effective properties are calculated, they can be used to solve a heat conduction problem on the composite structure at the macroscopic scale. This approach leads to good approximations of both the heat flux and temperature in the interior zone of the structure, however edge effects occur in the vicinity of the domain boundaries. In this paper, following the approach proposed in [10] for elasticity, it is shown how these edge effects can be corrected. Thus an additional asymptotic expansion is introduced, which plays the role of a edge effect term. This expansion tends to zero far from the boundary, and is assumed to decrease exponentially. Moreover, the length of the edge effect region can be determined from the solution of an eigenvalue problem. Numerical examples are considered for a standard multilayered material. The homogenized solutions computed with a finite element software, and corrected with the edge effect terms, are compared to a heterogeneous finite element solution at the microscopic scale. The influences of the thermal contrast and scale factor are illustrated for different kind of boundary conditions.

Nonlinear Dynamics of Formation of Drops of Non-Newtonian Liquids from Capillaries: Satellite Formation and Flow Transitions

NASA Astrophysics Data System (ADS)

Yildirim, Ozgur E.; Basaran, Osman A.

1999-11-01

Drop formation from capillaries, and the often undesired phenomenon of satellite generation, play a central role in diverse applications including ink-jet printing, biochip processors, and spray coating, where the working fluid is usually non-Newtonian. Although some work has been done in related areas, the phenomenon of formation of drops of non--Newtonian fluids from capillaries has remained largely unexplored. Here a theoretical approach is adopted to study the dripping of axisymmetric drops of non--Newtonian liquids from capillaries. The constitutive equation used accounts for both shear thinning and strain hardening. First, regular perturbation theory is utilized to reduce the spatial dimension of the governing equations to one. The computations rely on Galerkin/finite element analysis with adaptive finite differencing for time integration. The dynamics are followed beyond the first breakup to investigate conditions for occurrence of satellites. Effect of increasing flow rate is also studied to uncover transitions that occur as one moves from a regime of periodic drop formation to one of jetting.

Ferritic Alloys with Extreme Creep Resistance via Coherent Hierarchical Precipitates

PubMed Central

Song, Gian; Sun, Zhiqian; Li, Lin; Xu, Xiandong; Rawlings, Michael; Liebscher, Christian H.; Clausen, Bjørn; Poplawsky, Jonathan; Leonard, Donovan N.; Huang, Shenyan; Teng, Zhenke; Liu, Chain T.; Asta, Mark D.; Gao, Yanfei; Dunand, David C.; Ghosh, Gautam; Chen, Mingwei; Fine, Morris E.; Liaw, Peter K.

2015-01-01

There have been numerous efforts to develop creep-resistant materials strengthened by incoherent particles at high temperatures and stresses in response to future energy needs for steam turbines in thermal-power plants. However, the microstructural instability of the incoherent-particle-strengthened ferritic steels limits their application to temperatures below 900 K. Here, we report a novel ferritic alloy with the excellent creep resistance enhanced by coherent hierarchical precipitates, using the integrated experimental (transmission-electron microscopy/scanning-transmission-electron microscopy, in-situ neutron diffraction, and atom-probe tomography) and theoretical (crystal-plasticity finite-element modeling) approaches. This alloy is strengthened by nano-scaled L21-Ni2TiAl (Heusler phase)-based precipitates, which themselves contain coherent nano-scaled B2 zones. These coherent hierarchical precipitates are uniformly distributed within the Fe matrix. Our hierarchical structure material exhibits the superior creep resistance at 973 K in terms of the minimal creep rate, which is four orders of magnitude lower than that of conventional ferritic steels. These results provide a new alloy-design strategy using the novel concept of hierarchical precipitates and the fundamental science for developing creep-resistant ferritic alloys. The present research will broaden the applications of ferritic alloys to higher temperatures. PMID:26548303

Ferritic Alloys with Extreme Creep Resistance via Coherent Hierarchical Precipitates

DOE PAGES

Song, Gian; Sun, Zhiqian; Li, Lin; ...

2015-11-09

There have been numerous efforts to develop creep-resistant materials strengthened by incoherent particles at high temperatures and stresses in response to future energy needs for steam turbines in thermal-power plants. However, the microstructural instability of the incoherent-particle-strengthened ferritic steels limits their application to temperatures below 900 K. Here, we report a novel ferritic alloy with the excellent creep resistance enhanced by coherent hierarchical precipitates, using the integrated experimental (transmission-electron microscopy/scanning-transmission-electron microscopy, in-situ neutron diffraction, and atom-probe tomography) and theoretical (crystal-plasticity finite-element modeling) approaches. This alloy is strengthened by nano-scaled L21-Ni2TiAl (Heusler phase)-based precipitates, which themselves contain coherent nano-scaled B2 zones.more » These coherent hierarchical precipitates are uniformly distributed within the Fe matrix. Our hierarchical structure material exhibits the superior creep resistance at 973 K in terms of the minimal creep rate, which is four orders of magnitude lower than that of conventional ferritic steels. These results provide a new alloy-design strategy using the novel concept of hierarchical precipitates and the fundamental science for developing creep-resistant ferritic alloys. Finally, the present research will broaden the applications of ferritic alloys to higher temperatures.« less

Partial depth precast concrete deck panels on curved bridges : finite element analytical model of PCPs.

DOT National Transportation Integrated Search

2017-03-01

A number of full-scale tests have been carried out in the laboratory focused on the shear : performance of simulated precast concrete deck panels (PCP). Shear tests were carried out to : simulate the type of loading that will be applied to the deck p...

Finite element analysis of large transient elastic-plastic deformations of simple structures, with application to the engine rotor fragment containment/deflection problem

NASA Technical Reports Server (NTRS)

Wu, R. W.; Witmer, E. A.

1972-01-01

Assumed-displacement versions of the finite-element method are developed to predict large-deformation elastic-plastic transient deformations of structures. Both the conventional and a new improved finite-element variational formulation are derived. These formulations are then developed in detail for straight-beam and curved-beam elements undergoing (1) Bernoulli-Euler-Kirchhoff or (2) Timoshenko deformation behavior, in one plane. For each of these categories, several types of assumed-displacement finite elements are developed, and transient response predictions are compared with available exact solutions for small-deflection, linear-elastic transient responses. The present finite-element predictions for large-deflection elastic-plastic transient responses are evaluated via several beam and ring examples for which experimental measurements of transient strains and large transient deformations and independent finite-difference predictions are available.

Wave Scattering in Heterogeneous Media using the Finite Element Method

DTIC Science & Technology

2016-10-21

AFRL-AFOSR-JP-TR-2016-0086 Wave Scattering in Heterogeneous Media using the Finite Element Method Chiruvai Vendhan INDIAN INSTITUTE OF TECHNOLOGY...Scattering in Heterogeneous Media using the Finite Element Method 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386-12-1-4026 5c.  PROGRAM ELEMENT NUMBER 61102F 6...14.  ABSTRACT The primary aim of this study is to develop a finite element model for elastic scattering by axisymmetric bodies submerged in a

Improved finite-element methods for rotorcraft structures

NASA Technical Reports Server (NTRS)

Hinnant, Howard E.

1991-01-01

An overview of the research directed at improving finite-element methods for rotorcraft airframes is presented. The development of a modification to the finite element method which eliminates interelement discontinuities is covered. The following subject areas are discussed: geometric entities, interelement continuity, dependent rotational degrees of freedom, and adaptive numerical integration. This new methodology is being implemented as an anisotropic, curvilinear, p-version, beam, shell, and brick finite element program.

Refinement of Out of Circularity and Thickness Measurements of a Cylinder for Finite Element Analysis

DTIC Science & Technology

2016-09-01

UNCLASSIFIED UNCLASSIFIED Refinement of Out of Circularity and Thickness Measurements of a Cylinder for Finite Element Analysis...significant effect on the collapse strength and must be accurately represented in finite element analysis to obtain accurate results. Often it is necessary...to interpolate measurements from a relatively coarse grid to a refined finite element model and methods that have wide general acceptance are

Using Finite Element Method to Estimate the Material Properties of a Bearing Cage

DTIC Science & Technology

2018-02-01

UNCLASSIFIED UNCLASSIFIED AD-E403 988 Technical Report ARMET-TR-17035 USING FINITE ELEMENT METHOD TO ESTIMATE THE MATERIAL...TITLE AND SUBTITLE USING FINITE ELEMENT METHOD TO ESTIMATE THE MATERIAL PROPERTIES OF A BEARING CAGE 5a. CONTRACT NUMBER 5b. GRANT...specifications of non-metallic bearing cages are typically not supplied by the manufacturer. In order to setup a finite element analysis of a

Artificial Boundary Conditions for Finite Element Model Update and Damage Detection

DTIC Science & Technology

2017-03-01

BOUNDARY CONDITIONS FOR FINITE ELEMENT MODEL UPDATE AND DAMAGE DETECTION by Emmanouil Damanakis March 2017 Thesis Advisor: Joshua H. Gordis...REPORT TYPE AND DATES COVERED Master’s thesis 4. TITLE AND SUBTITLE ARTIFICIAL BOUNDARY CONDITIONS FOR FINITE ELEMENT MODEL UPDATE AND DAMAGE DETECTION...release. Distribution is unlimited. 12b. DISTRIBUTION CODE 13. ABSTRACT (maximum 200 words) In structural engineering, a finite element model is often

Angular Random Walk Estimation of a Time-Domain Switching Micromachined Gyroscope

DTIC Science & Technology

2016-10-19

1 2. PARAMETRIC SYSTEM IDENTIFICATION BASED ON TIME-DOMAIN SWITCHING ........ 2 3. FINITE ELEMENT MODELING OF RESONATOR...8 3. FINITE ELEMENT MODELING OF RESONATOR This section details basic finite element modeling of the resonator used with the TDSMG. While it...Based on finite element simulations of the employed resonator, it is found that the effects of thermomechanical noise is on par with 10 ps of timing

Verification of finite element analysis of fixed partial denture with in vitro electronic strain measurement.

PubMed

Wang, Gaoqi; Zhang, Song; Bian, Cuirong; Kong, Hui

2016-01-01

The purpose of the study was to verify the finite element analysis model of three-unite fixed partial denture with in vitro electronic strain analysis and analyze clinical situation with the verified model. First, strain gauges were attached to the critical areas of a three-unit fixed partial denture. Strain values were measured under 300 N load perpendicular to the occlusal plane. Secondly, a three-dimensional finite element model in accordance with the electronic strain analysis experiment was constructed from the scanning data. And the strain values obtained by finite element analysis and in vitro measurements were compared. Finally, the clinical destruction of the fixed partial denture was evaluated with the verified finite element analysis model. There was a mutual agreement and consistency between the finite element analysis results and experimental data. The finite element analysis revealed that failure will occur in the veneer layer on buccal surface of the connector under occlusal force of 570 N. The results indicate that the electronic strain analysis is an appropriate and cost saving method to verify the finite element model. The veneer layer on buccal surface of the connector is the weakest area in the fixed partial denture. Copyright © 2015 Japan Prosthodontic Society. Published by Elsevier Ltd. All rights reserved.

Development of a Meso-Scale Material Model for Ballistic Fabric and Its Use in Flexible-Armor Protection Systems

NASA Astrophysics Data System (ADS)

Grujicic, M.; Bell, W. C.; Arakere, G.; He, T.; Xie, X.; Cheeseman, B. A.

2010-02-01

A meso-scale ballistic material model for a prototypical plain-woven single-ply flexible armor is developed and implemented in a material user subroutine for the use in commercial explicit finite element programs. The main intent of the model is to attain computational efficiency when calculating the mechanical response of the multi-ply fabric-based flexible-armor material during its impact with various projectiles without significantly sacrificing the key physical aspects of the fabric microstructure, architecture, and behavior. To validate the new model, a comparative finite element method analysis is carried out in which: (a) the plain-woven single-ply fabric is modeled using conventional shell elements and weaving is done in an explicit manner by snaking the yarns through the fabric and (b) the fabric is treated as a planar continuum surface composed of conventional shell elements to which the new meso-scale unit-cell based material model is assigned. The results obtained show that the material model provides a reasonably good description for the fabric deformation and fracture behavior under different combinations of fixed and free boundary conditions. Finally, the model is used in an investigation of the ability of a multi-ply soft-body armor vest to protect the wearer from impact by a 9-mm round nose projectile. The effects of inter-ply friction, projectile/yarn friction, and the far-field boundary conditions are revealed and the results explained using simple wave mechanics principles, high-deformation rate material behavior, and the role of various energy-absorbing mechanisms in the fabric-based armor systems.

A model of mesons in finite extra-dimension

NASA Astrophysics Data System (ADS)

Lahkar, Jugal; Choudhury, D. K.; Roy, S.; Bordoloi, N. S.

2018-05-01

Recently,problem of stability of H-atom has been reported in extra-finite dimension,and found out that it is stable in extra-finite dimension of size,$R\\leq\\frac{a_0}{4}$,where,$a_0$ is the Bohr radius.Assuming that,the heavy flavoured mesons have also such stability controlled by the scale of coupling constant,we obtain corresponding QCD Bohr radius and it is found to be well within the present theoretical and experimental limit of higher dimension.We then study its consequences in their masses using effective string inspired potential model in higher dimension pursued by us.Within the uncertainty of masses of known Heavy Flavoured mesons the allowed range of extra dimension is $L\\leq10^{-16}m$,which is well below the present theoretical and experimental limit,and far above the Planck length $\\simeq1.5\\times10^{-35}$ m.

On conforming mixed finite element methods for incompressible viscous flow problems

NASA Technical Reports Server (NTRS)

Gunzburger, M. D; Nicolaides, R. A.; Peterson, J. S.

1982-01-01

The application of conforming mixed finite element methods to obtain approximate solutions of linearized Navier-Stokes equations is examined. Attention is given to the convergence rates of various finite element approximations of the pressure and the velocity field. The optimality of the convergence rates are addressed in terms of comparisons of the approximation convergence to a smooth solution in relation to the best approximation available for the finite element space used. Consideration is also devoted to techniques for efficient use of a Gaussian elimination algorithm to obtain a solution to a system of linear algebraic equations derived by finite element discretizations of linear partial differential equations.

Ablative Thermal Response Analysis Using the Finite Element Method

NASA Technical Reports Server (NTRS)

Dec John A.; Braun, Robert D.

2009-01-01

A review of the classic techniques used to solve ablative thermal response problems is presented. The advantages and disadvantages of both the finite element and finite difference methods are described. As a first step in developing a three dimensional finite element based ablative thermal response capability, a one dimensional computer tool has been developed. The finite element method is used to discretize the governing differential equations and Galerkin's method of weighted residuals is used to derive the element equations. A code to code comparison between the current 1-D tool and the 1-D Fully Implicit Ablation and Thermal Response Program (FIAT) has been performed.

Computational performance of Free Mesh Method applied to continuum mechanics problems

PubMed Central

YAGAWA, Genki

2011-01-01

The free mesh method (FMM) is a kind of the meshless methods intended for particle-like finite element analysis of problems that are difficult to handle using global mesh generation, or a node-based finite element method that employs a local mesh generation technique and a node-by-node algorithm. The aim of the present paper is to review some unique numerical solutions of fluid and solid mechanics by employing FMM as well as the Enriched Free Mesh Method (EFMM), which is a new version of FMM, including compressible flow and sounding mechanism in air-reed instruments as applications to fluid mechanics, and automatic remeshing for slow crack growth, dynamic behavior of solid as well as large-scale Eigen-frequency of engine block as applications to solid mechanics. PMID:21558753

Modal Test/Analysis Correlation of Space Station Structures Using Nonlinear Sensitivity

NASA Technical Reports Server (NTRS)

Gupta, Viney K.; Newell, James F.; Berke, Laszlo; Armand, Sasan

1992-01-01

The modal correlation problem is formulated as a constrained optimization problem for validation of finite element models (FEM's). For large-scale structural applications, a pragmatic procedure for substructuring, model verification, and system integration is described to achieve effective modal correlation. The space station substructure FEM's are reduced using Lanczos vectors and integrated into a system FEM using Craig-Bampton component modal synthesis. The optimization code is interfaced with MSC/NASTRAN to solve the problem of modal test/analysis correlation; that is, the problem of validating FEM's for launch and on-orbit coupled loads analysis against experimentally observed frequencies and mode shapes. An iterative perturbation algorithm is derived and implemented to update nonlinear sensitivity (derivatives of eigenvalues and eigenvectors) during optimizer iterations, which reduced the number of finite element analyses.

Modal test/analysis correlation of Space Station structures using nonlinear sensitivity

NASA Technical Reports Server (NTRS)

Gupta, Viney K.; Newell, James F.; Berke, Laszlo; Armand, Sasan

1992-01-01

The modal correlation problem is formulated as a constrained optimization problem for validation of finite element models (FEM's). For large-scale structural applications, a pragmatic procedure for substructuring, model verification, and system integration is described to achieve effective modal correlations. The space station substructure FEM's are reduced using Lanczos vectors and integrated into a system FEM using Craig-Bampton component modal synthesis. The optimization code is interfaced with MSC/NASTRAN to solve the problem of modal test/analysis correlation; that is, the problem of validating FEM's for launch and on-orbit coupled loads analysis against experimentally observed frequencies and mode shapes. An iterative perturbation algorithm is derived and implemented to update nonlinear sensitivity (derivatives of eigenvalues and eigenvectors) during optimizer iterations, which reduced the number of finite element analyses.

Proceedings of the 14th International Conference on the Numerical Simulation of Plasmas

NASA Astrophysics Data System (ADS)

Partial Contents are as follows: Numerical Simulations of the Vlasov-Maxwell Equations by Coupled Particle-Finite Element Methods on Unstructured Meshes; Electromagnetic PIC Simulations Using Finite Elements on Unstructured Grids; Modelling Travelling Wave Output Structures with the Particle-in-Cell Code CONDOR; SST--A Single-Slice Particle Simulation Code; Graphical Display and Animation of Data Produced by Electromagnetic, Particle-in-Cell Codes; A Post-Processor for the PEST Code; Gray Scale Rendering of Beam Profile Data; A 2D Electromagnetic PIC Code for Distributed Memory Parallel Computers; 3-D Electromagnetic PIC Simulation on the NRL Connection Machine; Plasma PIC Simulations on MIMD Computers; Vlasov-Maxwell Algorithm for Electromagnetic Plasma Simulation on Distributed Architectures; MHD Boundary Layer Calculation Using the Vortex Method; and Eulerian Codes for Plasma Simulations.

Infinite Possibilities for the Finite Element.

ERIC Educational Resources Information Center

Finlayson, Bruce A.

1981-01-01

Describes the uses of finite element methods in solving problems of heat transfer, fluid flow, etc. Suggests that engineers should know the general concepts and be able to apply the principles of finite element methods. (Author/WB)

Static and Dynamic Electron Microscopy Investigations at the Atomic and Ultrafast Scales

NASA Astrophysics Data System (ADS)

Suri, Pranav Kumar

Advancements in the electron microscopy capabilities - aberration-corrected imaging, monochromatic spectroscopy, direct-electron detectors - have enabled routine visualization of atomic-scale processes with millisecond temporal resolutions in this decade. This, combined with progress in the transmission electron microscopy (TEM) specimen holder technology and nanofabrication techniques, allows comprehensive experiments on a wide range of materials in various phases via in situ methods. The development of ultrafast (sub-nanosecond) time-resolved TEM with ultrafast electron microscopy (UEM) has further pushed the envelope of in situ TEM to sub-nanosecond temporal resolution while maintaining sub-nanometer spatial resolution. A plethora of materials phenomena - including electron-phonon coupling, phonon transport, first-order phase transitions, bond rotation, plasmon dynamics, melting, and dopant atoms arrangement - are not yet clearly understood and could be benefitted with the current in situ TEM capabilities having atomic-level and ultrafast precision. Better understanding of these phenomena and intrinsic material dynamics (e.g. how phonons propagate in a material, what time-scales are involved in a first-order phase transition, how fast a material melts, where dopant atoms sit in a crystal) in new-generation and technologically important materials (e.g. two-dimensional layered materials, semiconductor and magnetic devices, rare-earth-element-free permanent magnets, unconventional superconductors) could bring a paradigm shift in their electronic, structural, magnetic, thermal and optical applications. Present research efforts, employing cutting-edge static and dynamic in situ electron microscopy resources at the University of Minnesota, are directed towards understanding the atomic-scale crystallographic structural transition and phonon transport in an iron-pnictide parent compound LaFeAsO, studying the mechanical stability of fast moving hard-drive heads in heat-assisted magnetic recording (HAMR) technology, exploring the possibility of ductile ceramics in magnesium oxide (MgO) nanomaterials, and revealing the atomic-structure of newly discovered rare-earth-element-free iron nitride (FeN) magnetic materials. Via atomic-resolution imaging and electron diffraction coupled with in situ TEM cooling on LaFeAsO, it was found that additional effects not related to the structural transition, namely dynamical scattering and electron channeling, can give signatures reminiscent of those typically associated with the symmetry change. UEM studies on LaFeAsO revealed direct, real-space imaging of the emergence and evolution of acoustic phonons and resolved dispersion behavior during propagation and scattering. Via UEM bright-field imaging, megahertz vibrational frequencies were observed upon laser-illumination in TEM specimens made out of HAMR devices which could be detrimental to their long-term thermal and structural reliability. Compression testing of 100-350 nm single-crystal MgO nanocubes shows size-dependent stresses and engineering strains of 4-13.8 GPa and 0.046-0.221 respectively at the first signs of yield accompanied by an absence of brittle fracture, which is a significant increase in plasticity of a brittle ceramic material. Atomic-scale characterization of FeN phases show that it is possible to detect interstitial locations of low atomic-number nitrogen atoms in iron crystal and hints at a development of novel routes (without involving rare-earth elements) for bulk permanent magnet synthesis.

High Performance Computing Technologies for Modeling the Dynamics and Dispersion of Ice Chunks in the Arctic Ocean

DTIC Science & Technology

2016-08-23

SECURITY CLASSIFICATION OF: Hybrid finite element / finite volume based CaMEL shallow water flow solvers have been successfully extended to study wave...effects on ice floes in a simplified 10 sq-km ocean domain. Our solver combines the merits of both the finite element and finite volume methods and...ES) U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 sea ice dynamics, shallow water, finite element , finite volume

Identification of minute damage in composite bridge structures equipped with fiber optic sensors using the location of neutral axis and finite element analysis

NASA Astrophysics Data System (ADS)

Li, Xi; Glisic, Branko

2016-04-01

By definition, the neutral axis of a loaded composite beam structure is the curve along which the section experiences zero bending strain. When no axial loading is present, the location of the neutral axis passes through the centroid of stiffness of the beam cross-section. In the presence of damage, the centroid of stiffness, as well as the neutral axis, shift from the healthy position. The concept of neutral axis can be widely applied to all beam-like structures. According to literature, a change in location of the neutral axis can be associated with damage in the corresponding cross-section. In this paper, the movement of neutral axis near locations of minute damage in a composite bridge structure was studied using finite element analysis and experimental results. The finite element model was developed based on a physical scale model of a composite simply-supported structure with controlled minute damage in the reinforced concrete deck. The structure was equipped with long-gauge fiber optic strain and temperature sensors at a healthy reference location as well as two locations of damage. A total of 12 strain sensors were installed during construction and used to monitor the structure during various loading events. This paper aims to explain previous experimental results which showed that the observed positions of neutral axis near damage locations were higher than the predicted healthy locations in some loading events. Analysis has shown that finite element analysis has potential to simulate and explain the physical behavior of the test structure.

Combining the Finite Element Method with Structural Connectome-based Analysis for Modeling Neurotrauma: Connectome Neurotrauma Mechanics

PubMed Central

Kraft, Reuben H.; Mckee, Phillip Justin; Dagro, Amy M.; Grafton, Scott T.

2012-01-01

This article presents the integration of brain injury biomechanics and graph theoretical analysis of neuronal connections, or connectomics, to form a neurocomputational model that captures spatiotemporal characteristics of trauma. We relate localized mechanical brain damage predicted from biofidelic finite element simulations of the human head subjected to impact with degradation in the structural connectome for a single individual. The finite element model incorporates various length scales into the full head simulations by including anisotropic constitutive laws informed by diffusion tensor imaging. Coupling between the finite element analysis and network-based tools is established through experimentally-based cellular injury thresholds for white matter regions. Once edges are degraded, graph theoretical measures are computed on the “damaged” network. For a frontal impact, the simulations predict that the temporal and occipital regions undergo the most axonal strain and strain rate at short times (less than 24 hrs), which leads to cellular death initiation, which results in damage that shows dependence on angle of impact and underlying microstructure of brain tissue. The monotonic cellular death relationships predict a spatiotemporal change of structural damage. Interestingly, at 96 hrs post-impact, computations predict no network nodes were completely disconnected from the network, despite significant damage to network edges. At early times () network measures of global and local efficiency were degraded little; however, as time increased to 96 hrs the network properties were significantly reduced. In the future, this computational framework could help inform functional networks from physics-based structural brain biomechanics to obtain not only a biomechanics-based understanding of injury, but also neurophysiological insight. PMID:22915997

A combined registration and finite element analysis method for fast estimation of intraoperative brain shift; phantom and animal model study.

PubMed

Mohammadi, Amrollah; Ahmadian, Alireza; Rabbani, Shahram; Fattahi, Ehsan; Shirani, Shapour

2017-12-01

Finite element models for estimation of intraoperative brain shift suffer from huge computational cost. In these models, image registration and finite element analysis are two time-consuming processes. The proposed method is an improved version of our previously developed Finite Element Drift (FED) registration algorithm. In this work the registration process is combined with the finite element analysis. In the Combined FED (CFED), the deformation of whole brain mesh is iteratively calculated by geometrical extension of a local load vector which is computed by FED. While the processing time of the FED-based method including registration and finite element analysis was about 70 s, the computation time of the CFED was about 3.2 s. The computational cost of CFED is almost 50% less than similar state of the art brain shift estimators based on finite element models. The proposed combination of registration and structural analysis can make the calculation of brain deformation much faster. Copyright © 2016 John Wiley & Sons, Ltd.

Mapping stress in polycrystals with sub-10 nm spatial resolution.

PubMed

Polop, C; Vasco, E; Perrino, A P; Garcia, R

2017-09-28

From aircraft to electronic devices, and even in Formula One cars, stress is the main cause of degraded material performance and mechanical failure in applications incorporating thin films and coatings. Over the last two decades, the scientific community has searched for the mechanisms responsible for stress generation in films, with no consensus in sight. The main difficulty is that most current models of stress generation, while atomistic in nature, are based on macroscopic measurements. Here, we demonstrate a novel method for mapping the stress at the surface of polycrystals with sub-10 nm spatial resolution. This method consists of transforming elastic modulus maps measured by atomic force microscopy techniques into stress maps via the local stress-stiffening effect. The validity of this approach is supported by finite element modeling simulations. Our study reveals a strongly heterogeneous distribution of intrinsic stress in polycrystalline Au films, with gradients as high as 100 MPa nm -1 near the grain boundaries. Consequently, our study discloses the limited capacity of macroscopic stress assessments and standard tests to discriminate among models, and the great potential of nanometer-scale stress mapping.

Global-Local Finite Element Analysis of Bonded Single-Lap Joints

NASA Technical Reports Server (NTRS)

Kilic, Bahattin; Madenci, Erdogan; Ambur, Damodar R.

2004-01-01

Adhesively bonded lap joints involve dissimilar material junctions and sharp changes in geometry, possibly leading to premature failure. Although the finite element method is well suited to model the bonded lap joints, traditional finite elements are incapable of correctly resolving the stress state at junctions of dissimilar materials because of the unbounded nature of the stresses. In order to facilitate the use of bonded lap joints in future structures, this study presents a finite element technique utilizing a global (special) element coupled with traditional elements. The global element includes the singular behavior at the junction of dissimilar materials with or without traction-free surfaces.

The constraint method: A new finite element technique. [applied to static and dynamic loads on plates

NASA Technical Reports Server (NTRS)

Tsai, C.; Szabo, B. A.

1973-01-01

An approch to the finite element method which utilizes families of conforming finite elements based on complete polynomials is presented. Finite element approximations based on this method converge with respect to progressively reduced element sizes as well as with respect to progressively increasing orders of approximation. Numerical results of static and dynamic applications of plates are presented to demonstrate the efficiency of the method. Comparisons are made with plate elements in NASTRAN and the high-precision plate element developed by Cowper and his co-workers. Some considerations are given to implementation of the constraint method into general purpose computer programs such as NASTRAN.

Element-topology-independent preconditioners for parallel finite element computations

NASA Technical Reports Server (NTRS)

Park, K. C.; Alexander, Scott

1992-01-01

A family of preconditioners for the solution of finite element equations are presented, which are element-topology independent and thus can be applicable to element order-free parallel computations. A key feature of the present preconditioners is the repeated use of element connectivity matrices and their left and right inverses. The properties and performance of the present preconditioners are demonstrated via beam and two-dimensional finite element matrices for implicit time integration computations.

Simulation of finite-strain inelastic phenomena governed by creep and plasticity

NASA Astrophysics Data System (ADS)

Li, Zhen; Bloomfield, Max O.; Oberai, Assad A.

2017-11-01

Inelastic mechanical behavior plays an important role in many applications in science and engineering. Phenomenologically, this behavior is often modeled as plasticity or creep. Plasticity is used to represent the rate-independent component of inelastic deformation and creep is used to represent the rate-dependent component. In several applications, especially those at elevated temperatures and stresses, these processes occur simultaneously. In order to model these process, we develop a rate-objective, finite-deformation constitutive model for plasticity and creep. The plastic component of this model is based on rate-independent J_2 plasticity, and the creep component is based on a thermally activated Norton model. We describe the implementation of this model within a finite element formulation, and present a radial return mapping algorithm for it. This approach reduces the additional complexity of modeling plasticity and creep, over thermoelasticity, to just solving one nonlinear scalar equation at each quadrature point. We implement this algorithm within a multiphysics finite element code and evaluate the consistent tangent through automatic differentiation. We verify and validate the implementation, apply it to modeling the evolution of stresses in the flip chip manufacturing process, and test its parallel strong-scaling performance.

A progress report on estuary modeling by the finite-element method

USGS Publications Warehouse

Gray, William G.

1978-01-01

Various schemes are investigated for finite-element modeling of two-dimensional surface-water flows. The first schemes investigated combine finite-element spatial discretization with split-step time stepping schemes that have been found useful in finite-difference computations. Because of the large number of numerical integrations performed in space and the large sparse matrices solved, these finite-element schemes were found to be economically uncompetitive with finite-difference schemes. A very promising leapfrog scheme is proposed which, when combined with a novel very fast spatial integration procedure, eliminates the need to solve any matrices at all. Additional problems attacked included proper propagation of waves and proper specification of the normal flow-boundary condition. This report indicates work in progress and does not come to a definitive conclusion as to the best approach for finite-element modeling of surface-water problems. The results presented represent findings obtained between September 1973 and July 1976. (Woodard-USGS)

Finite Element Models and Properties of a Stiffened Floor-Equipped Composite Cylinder

NASA Technical Reports Server (NTRS)

Grosveld, Ferdinand W.; Schiller, Noah H.; Cabell, Randolph H.

2010-01-01

Finite element models were developed of a floor-equipped, frame and stringer stiffened composite cylinder including a coarse finite element model of the structural components, a coarse finite element model of the acoustic cavities above and below the beam-supported plywood floor, and two dense models consisting of only the structural components. The report summarizes the geometry, the element properties, the material and mechanical properties, the beam cross-section characteristics, the beam element representations and the boundary conditions of the composite cylinder models. The expressions used to calculate the group speeds for the cylinder components are presented.

Analytical study of nano-scale logical operations

NASA Astrophysics Data System (ADS)

Patra, Moumita; Maiti, Santanu K.

2018-07-01

A complete analytical prescription is given to perform three basic (OR, AND, NOT) and two universal (NAND, NOR) logic gates at nano-scale level using simple tailor made geometries. Two different geometries, ring-like and chain-like, are taken into account where in each case the bridging conductor is coupled to a local atomic site through a dangling bond whose site energy can be controlled by means of external gate electrode. The main idea is that when injecting electron energy matches with site energy of local atomic site transmission probability drops exactly to zero, whereas the junction exhibits finite transmission for other energies. Utilizing this prescription we perform logical operations, and, we strongly believe that the proposed results can be verified in laboratory. Finally, we numerically compute two-terminal transmission probability considering general models and the numerical results match exactly well with our analytical findings.

IFEMS, an Interactive Finite Element Modeling System Using a CAD/CAM System

NASA Technical Reports Server (NTRS)

Mckellip, S.; Schuman, T.; Lauer, S.

1980-01-01

A method of coupling a CAD/CAM system with a general purpose finite element mesh generator is described. The three computer programs which make up the interactive finite element graphics system are discussed.

Development of a parallel FE simulator for modeling the whole trans-scale failure process of rock from meso- to engineering-scale

NASA Astrophysics Data System (ADS)

Li, Gen; Tang, Chun-An; Liang, Zheng-Zhao

2017-01-01

Multi-scale high-resolution modeling of rock failure process is a powerful means in modern rock mechanics studies to reveal the complex failure mechanism and to evaluate engineering risks. However, multi-scale continuous modeling of rock, from deformation, damage to failure, has raised high requirements on the design, implementation scheme and computation capacity of the numerical software system. This study is aimed at developing the parallel finite element procedure, a parallel rock failure process analysis (RFPA) simulator that is capable of modeling the whole trans-scale failure process of rock. Based on the statistical meso-damage mechanical method, the RFPA simulator is able to construct heterogeneous rock models with multiple mechanical properties, deal with and represent the trans-scale propagation of cracks, in which the stress and strain fields are solved for the damage evolution analysis of representative volume element by the parallel finite element method (FEM) solver. This paper describes the theoretical basis of the approach and provides the details of the parallel implementation on a Windows - Linux interactive platform. A numerical model is built to test the parallel performance of FEM solver. Numerical simulations are then carried out on a laboratory-scale uniaxial compression test, and field-scale net fracture spacing and engineering-scale rock slope examples, respectively. The simulation results indicate that relatively high speedup and computation efficiency can be achieved by the parallel FEM solver with a reasonable boot process. In laboratory-scale simulation, the well-known physical phenomena, such as the macroscopic fracture pattern and stress-strain responses, can be reproduced. In field-scale simulation, the formation process of net fracture spacing from initiation, propagation to saturation can be revealed completely. In engineering-scale simulation, the whole progressive failure process of the rock slope can be well modeled. It is shown that the parallel FE simulator developed in this study is an efficient tool for modeling the whole trans-scale failure process of rock from meso- to engineering-scale.

Recent Development of Multigrid Algorithms for Mixed and Noncomforming Methods for Second Order Elliptical Problems

NASA Technical Reports Server (NTRS)

Chen, Zhangxin; Ewing, Richard E.

1996-01-01

Multigrid algorithms for nonconforming and mixed finite element methods for second order elliptic problems on triangular and rectangular finite elements are considered. The construction of several coarse-to-fine intergrid transfer operators for nonconforming multigrid algorithms is discussed. The equivalence between the nonconforming and mixed finite element methods with and without projection of the coefficient of the differential problems into finite element spaces is described.

Development of an Anatomically Accurate Finite Element Human Ocular Globe Model for Blast-Related Fluid-Structure Interaction Studies

DTIC Science & Technology

2017-02-01

ARL-TR-7945 ● FEB 2017 US Army Research Laboratory Development of an Anatomically Accurate Finite Element Human Ocular Globe...ARL-TR-7945 ● FEB 2017 US Army Research Laboratory Development of an Anatomically Accurate Finite Element Human Ocular Globe Model... Finite Element Human Ocular Globe Model for Blast-Related Fluid-Structure Interaction Studies 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM

Finite Element Barotropic Model for the Indian and Western Pacific OceanBasin: Tidal Model Data Comparisons and Sensitivities

DTIC Science & Technology

2018-01-11

From - To) 01/11/2018 Final Technical Report June 01 2016 - Dec 30 2017 4. TITLE AND SUBTITLE Sa. CONTRACT NUMBER Finite - Element Barotropic Model...grid finite - element barotropic fully hydrodynamic model in order to understand the shallow-water dynamics of the Indian Ocean and Western Pacific Ocean...dissipative dissipative processes are explored. 15. SUBJECTTERMS finite - element , unstructured grid, barotropic tides, bathymetry, internal tide

MSC products for the simulation of tire behavior

NASA Technical Reports Server (NTRS)

Muskivitch, John C.

1995-01-01

The modeling of tires and the simulation of tire behavior are complex problems. The MacNeal-Schwendler Corporation (MSC) has a number of finite element analysis products that can be used to address the complexities of tire modeling and simulation. While there are many similarities between the products, each product has a number of capabilities that uniquely enable it to be used for a specific aspect of tire behavior. This paper discusses the following programs: (1) MSC/NASTRAN - general purpose finite element program for linear and nonlinear static and dynamic analysis; (2) MSC/ADAQUS - nonlinear statics and dynamics finite element program; (3) MSC/PATRAN AFEA (Advanced Finite Element Analysis) - general purpose finite element program with a subset of linear and nonlinear static and dynamic analysis capabilities with an integrated version of MSC/PATRAN for pre- and post-processing; and (4) MSC/DYTRAN - nonlinear explicit transient dynamics finite element program.

[Research Progress and Prospect of Applications of Finite Element Method in Lumbar Spine Biomechanics].

PubMed

Zhang, Zhenjun; Li, Yang; Liao, Zhenhua; Liu, Weiqiang

2016-12-01

Based on the application of finite element analysis in spine biomechanics,the research progress of finite element method applied in lumbar spine mechanics is reviewed and the prospect is forecasted.The related works,including lumbar ontology modeling,clinical application research,and occupational injury and protection,are summarized.The main research areas of finite element method are as follows:new accurate modeling process,the optimized simulation method,diversified clinical effect evaluation,and the clinical application of artificial lumbar disc.According to the recent research progress,the application prospects of finite element method,such as automation and individuation of modeling process,evaluation and analysis of new operation methods and simulation of mechanical damage and dynamic response,are discussed.The purpose of this paper is to provide the theoretical reference and practical guidance for the clinical lumbar problems by reviewing the application of finite element method in the field of the lumbar spine biomechanics.

Comparison of Gap Elements and Contact Algorithm for 3D Contact Analysis of Spiral Bevel Gears

NASA Technical Reports Server (NTRS)

Bibel, G. D.; Tiku, K.; Kumar, A.; Handschuh, R.

1994-01-01

Three dimensional stress analysis of spiral bevel gears in mesh using the finite element method is presented. A finite element model is generated by solving equations that identify tooth surface coordinates. Contact is simulated by the automatic generation of nonpenetration constraints. This method is compared to a finite element contact analysis conducted with gap elements.

Predicting Atomic Decay Rates Using an Informational-Entropic Approach

NASA Astrophysics Data System (ADS)

Gleiser, Marcelo; Jiang, Nan

2018-06-01

We show that a newly proposed Shannon-like entropic measure of shape complexity applicable to spatially-localized or periodic mathematical functions known as configurational entropy (CE) can be used as a predictor of spontaneous decay rates for one-electron atoms. The CE is constructed from the Fourier transform of the atomic probability density. For the hydrogen atom with degenerate states labeled with the principal quantum number n, we obtain a scaling law relating the n-averaged decay rates to the respective CE. The scaling law allows us to predict the n-averaged decay rate without relying on the traditional computation of dipole matrix elements. We tested the predictive power of our approach up to n = 20, obtaining an accuracy better than 3.7% within our numerical precision, as compared to spontaneous decay tables listed in the literature.

Predicting Atomic Decay Rates Using an Informational-Entropic Approach

NASA Astrophysics Data System (ADS)

Gleiser, Marcelo; Jiang, Nan

2018-02-01

We show that a newly proposed Shannon-like entropic measure of shape complexity applicable to spatially-localized or periodic mathematical functions known as configurational entropy (CE) can be used as a predictor of spontaneous decay rates for one-electron atoms. The CE is constructed from the Fourier transform of the atomic probability density. For the hydrogen atom with degenerate states labeled with the principal quantum number n, we obtain a scaling law relating the n-averaged decay rates to the respective CE. The scaling law allows us to predict the n-averaged decay rate without relying on the traditional computation of dipole matrix elements. We tested the predictive power of our approach up to n = 20, obtaining an accuracy better than 3.7% within our numerical precision, as compared to spontaneous decay tables listed in the literature.

Automatic differentiation for design sensitivity analysis of structural systems using multiple processors

NASA Technical Reports Server (NTRS)

Nguyen, Duc T.; Storaasli, Olaf O.; Qin, Jiangning; Qamar, Ramzi

1994-01-01

An automatic differentiation tool (ADIFOR) is incorporated into a finite element based structural analysis program for shape and non-shape design sensitivity analysis of structural systems. The entire analysis and sensitivity procedures are parallelized and vectorized for high performance computation. Small scale examples to verify the accuracy of the proposed program and a medium scale example to demonstrate the parallel vector performance on multiple CRAY C90 processors are included.

Foam model of planetary formation

NASA Astrophysics Data System (ADS)

Andreev, Y.; Potashko, O.

The Analysis of 2637 terrestrial minerals shows presence of characteristic element and isotope structure for each ore irrespective of its site. The model of processes geo-nuclear syntheses elements is offered due to avalanche merge of nucleus which simply explains these laws. Main assumption: nucleus, atoms, connections, ores and minerals were formed in volume of the modern Earth at an early stage of its evolution from uniform proto-substance. Substantive provisions of the model: 1)The most part of nucleus of atoms of all chemical elements of the Earth's crust were formed on the mechanism of avalanche chain merge practically in one stage (in geological scales) in a course of correlated(in scales of a planet) process with allocation of a plenty of heat. 2) Atoms of chemical elements were generated during cooling a planet with preservation of a relative spatial arrangement of nucleus. 3) Chemical compounds have arisen at cooling a surface of a planet and were accompanied by reorganizations (hashing) macro- and geo-scale. 4) Mineral formations are consequence of correlated behaviour of chemical compounds on microscopic scales during phase transition from gaseous or liquid to a firm condition. 5) Synthesis of chemical elements in deep layers of the Earth occurs till now. "Foaming'' instead of "Big Bang" The physical space is continual gas-fluid environment consist of super fluid foam. The continuity, keeping and uniqueness of proto-substance are postulated. Scenario: primary singularity-> droplets(proto-galaxies) droplets(proto-stars)-> droplets(proto-planets)-> droplets(proto- satellites)-> droplets. Proto-planet substance->proton+electron as 1st generation disintegration result of primary foam. Nuclei or nucleonic crystals are the 2nd generation in result of cascade merge of protons into conglomerates. The theory has applied to the analysis of samples of native copper deposit from Rafalovka's ore deposit in Ukraine. The abundance of elements by use of the roentgen fluorescent microanalysis has been made. Changes of a parity of elements are described by nuclear synthesis reactions: 16O+47Ti, 23Na+40Ca, 24Mg+39K, 31P+32S-> 63Cu; 16O+49Ti, 23Na+42Ca, 26Mg+39K, 31P+34S-> 65Cu Dramatical change of isotope parities of 56Fe and 57Fe in the sites of space carried on 3 millimetres. The content of 57Fe is greater then 56Fe in Cu granule.

Thermo-Oxidative Induced Damage in Polymer Composites: Microstructure Image-Based Multi-Scale Modeling and Experimental Validation

NASA Astrophysics Data System (ADS)

Hussein, Rafid M.; Chandrashekhara, K.

2017-11-01

A multi-scale modeling approach is presented to simulate and validate thermo-oxidation shrinkage and cracking damage of a high temperature polymer composite. The multi-scale approach investigates coupled transient diffusion-reaction and static structural at macro- to micro-scale. The micro-scale shrinkage deformation and cracking damage are simulated and validated using 2D and 3D simulations. Localized shrinkage displacement boundary conditions for the micro-scale simulations are determined from the respective meso- and macro-scale simulations, conducted for a cross-ply laminate. The meso-scale geometrical domain and the micro-scale geometry and mesh are developed using the object oriented finite element (OOF). The macro-scale shrinkage and weight loss are measured using unidirectional coupons and used to build the macro-shrinkage model. The cross-ply coupons are used to validate the macro-shrinkage model by the shrinkage profiles acquired using scanning electron images at the cracked surface. The macro-shrinkage model deformation shows a discrepancy when the micro-scale image-based cracking is computed. The local maximum shrinkage strain is assumed to be 13 times the maximum macro-shrinkage strain of 2.5 × 10-5, upon which the discrepancy is minimized. The microcrack damage of the composite is modeled using a static elastic analysis with extended finite element and cohesive surfaces by considering the modulus spatial evolution. The 3D shrinkage displacements are fed to the model using node-wise boundary/domain conditions of the respective oxidized region. Microcrack simulation results: length, meander, and opening are closely matched to the crack in the area of interest for the scanning electron images.

A new conformal absorbing boundary condition for finite element meshes and parallelization of FEMATS

NASA Technical Reports Server (NTRS)

Chatterjee, A.; Volakis, J. L.; Nguyen, J.; Nurnberger, M.; Ross, D.

1993-01-01

Some of the progress toward the development and parallelization of an improved version of the finite element code FEMATS is described. This is a finite element code for computing the scattering by arbitrarily shaped three dimensional surfaces composite scatterers. The following tasks were worked on during the report period: (1) new absorbing boundary conditions (ABC's) for truncating the finite element mesh; (2) mixed mesh termination schemes; (3) hierarchical elements and multigridding; (4) parallelization; and (5) various modeling enhancements (antenna feeds, anisotropy, and higher order GIBC).

Books and monographs on finite element technology

NASA Technical Reports Server (NTRS)

Noor, A. K.

1985-01-01

The present paper proviees a listing of all of the English books and some of the foreign books on finite element technology, taking into account also a list of the conference proceedings devoted solely to finite elements. The references are divided into categories. Attention is given to fundamentals, mathematical foundations, structural and solid mechanics applications, fluid mechanics applications, other applied science and engineering applications, computer implementation and software systems, computational and modeling aspects, special topics, boundary element methods, proceedings of symmposia and conferences on finite element technology, bibliographies, handbooks, and historical accounts.

Microstructure simulation of rapidly solidified ASP30 high-speed steel particles by gas atomization

NASA Astrophysics Data System (ADS)

Ma, Jie; Wang, Bo; Yang, Zhi-liang; Wu, Guang-xin; Zhang, Jie-yu; Zhao, Shun-li

2016-03-01

In this study, the microstructure evolution of rapidly solidified ASP30 high-speed steel particles was predicted using a simulation method based on the cellular automaton-finite element (CAFE) model. The dendritic growth kinetics, in view of the characteristics of ASP30 steel, were calculated and combined with macro heat transfer calculations by user-defined functions (UDFs) to simulate the microstructure of gas-atomized particles. The relationship among particle diameter, undercooling, and the convection heat transfer coefficient was also investigated to provide cooling conditions for simulations. The simulated results indicated that a columnar grain microstructure was observed in small particles, whereas an equiaxed microstructure was observed in large particles. In addition, the morphologies and microstructures of gas-atomized ASP30 steel particles were also investigated experimentally using scanning electron microscopy (SEM). The experimental results showed that four major types of microstructures were formed: dendritic, equiaxed, mixed, and multi-droplet microstructures. The simulated results and the available experimental data are in good agreement.

Pressure/temperature fluid cell apparatus for the neutron powder diffractometer instrument: probing atomic structure in situ.

PubMed

Wang, Hsiu-Wen; Fanelli, Victor R; Reiche, Helmut M; Larson, Eric; Taylor, Mark A; Xu, Hongwu; Zhu, Jinlong; Siewenie, Joan; Page, Katharine

2014-12-01

This contribution describes a new local structure compatible gas/liquid cell apparatus for probing disordered materials at high pressures and variable temperatures in the Neutron Powder Diffraction instrument at the Lujan Neutron Scattering Center, Los Alamos National Laboratory. The new sample environment offers choices for sample canister thickness and canister material type. Finite element modeling is utilized to establish maximum allowable working pressures of 414 MPa at 15 K and 121 MPa at 600 K. High quality atomic pair distribution function data extraction and modeling have been demonstrated for a calibration standard (Si powder) and for supercritical and subcritical CO2 measurements. The new sample environment was designed to specifically target experimental studies of the local atomic structures involved in geologic CO2 sequestration, but will be equally applicable to a wide variety of energy applications, including sorption of fluids on nano/meso-porous solids, clathrate hydrate formation, catalysis, carbon capture, and H2 and natural gas uptake/storage.

Closing in on Chemical Bonds by Opening up Relativity Theory

PubMed Central

Whitney, Cynthia Kolb

2008-01-01

This paper develops a connection between the phenomenology of chemical bonding and the theory of relativity. Empirical correlations between electron numbers in atoms and chemical bond stabilities in molecules are first reviewed and extended. Quantitative chemical bond strengths are then related to ionization potentials in elements. Striking patterns in ionization potentials are revealed when the data are viewed in an element-independent way, where element-specific details are removed via an appropriate scaling law. The scale factor involved is not explained by quantum mechanics; it is revealed only when one goes back further, to the development of Einstein’s special relativity theory. PMID:19325749

Does Geophysics Need "A new kind of Science"?

NASA Astrophysics Data System (ADS)

Turcotte, D. L.; Rundle, J. B.

2002-12-01

Stephen Wolfram's book "A New Kind of Science" has received a great deal of attention in the last six months, both positive and negative. The theme of the book is that "cellular automata", which arise from spatial and temporal coarse-graining of equations of motion, provide the foundations for a new nonlinear science of "complexity". The old science is the science of partial differential equations. Some of the major contributions of this old science have been in geophysics, i.e. gravity, magnetics, seismic waves, heat flow. The basis of the new science is the use of massive computing and numerical simulations. The new science is motivated by the observations that many physical systems display a vast multiplicity of space and time scales, and have hidden dynamics that in many cases are impossible to directly observe. An example would be molecular dynamics. Statistical physics derives continuum equations from the discrete interactions between atoms and molecules, in the modern world the continuum equations are then discretized using finite differences, finite elements, etc. in order to obtain numerical solutions. Examples of widely used cellular automata models include diffusion limited aggregation and site percolation. Also the class of models that are said to exhibit self-organized criticality, the sand-pile model, the slider-block model, the forest-fire model. Applications of these models include drainage networks, seismicity, distributions of minerals,and the evolution of landforms and coastlines. Simple cellular automata models generate deterministic chaos, i.e. the logistic map.

Elemental and lattice-parameter mapping of binary oxide superlattices of (LaNiO 3 ) 4 /(LaMnO 3 ) 2 at atomic resolution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwon, Ji-Hwan; Lu, Ping; Hoffman, Jason

2016-12-19

We construct the elemental distribution and lattice strain maps from the measured atomic column positions in a (LaNiO3)(4)/(LaMnO3)(2) superlattice over a large field of view. The correlation between the distribution of B-cations and the lattice parameter in the form of Vegard's law is validated using atomic resolution energy dispersive x-ray spectroscopy (EDS). The maps show negligible Mn intermixing in the LaNiO3 layer, while Ni intermixing in the LaMnO3 layer improves away from the substrate interface to 9.5 atomic% from the 8th period onwards, indicating that the superlattice interfacial sharpness is established as the distance from the substrate increases. The mapsmore » allow an observation of the compositional defects of the B-sites, which is not possible by Z-contrast alone. Thus, this study demonstrates a promising approach for atomic scale correlative study of lattice strain and composition, and a method for the calibration of atomic resolution EDS maps.« less