Local order study of YFe 2D x (0⩽ x⩽3.5) compounds by X-ray absorption and Mössbauer spectroscopy

NASA Astrophysics Data System (ADS)

Paul-Boncour, V.; Wiesinger, G.; Reichl, Ch.; Latroche, M.; Percheron-Guégan, A.; Cortes, R.

2001-12-01

The local order in YFe 2D x deuterides has been characterized by EXAFS and 57Fe Mössbauer spectroscopy. For all the deuterides several Fe sites and a large distribution of Fe-Fe distances are observed. The Y-Fe and Y-Y distances are close to those calculated for a cubic C15 type structure, but with significant static disorder. These large distance distributions are related to the influence of hydrogen atoms which induce local distortions of the interstitial sites with a displacement of Y and Fe atoms. However, the bulk and mean local magnetic properties remain sensitive to the long range order structure of the deuterides.

Impact of Intentional Overload on Joint Stability of Internal Implant-Abutment Connection System with Different Diameter.

PubMed

Lee, Ji-Hye; Lee, Won; Huh, Yoon-Hyuk; Park, Chan-Jin; Cho, Lee-Ra

2017-09-05

To evaluate the axial displacement of the implant-abutment assembly of different implant diameter after static and cyclic loading of overload condition. An internal conical connection system with three diameters (Ø 4.0, 4.5, and 5.0) applying identical abutment dimension and the same abutment screw was evaluated. Axial displacement of abutment and reverse torque loss of abutment screw were evaluated under static and cyclic loading conditions. Static loading test groups were subjected to vertical static loading of 250, 400, 500, 600, 700, and 800 N consecutively. Cyclic loading test groups were subjected to 500 N cyclic loading to evaluate the effect of excessive masticatory loading. After abutment screw tightening for 30 Ncm, axial displacement was measured upon 1, 3, 10, and 1,000,000 cyclic loadings of 500 N. Repeated-measure ANOVA and 2-way ANOVA were used for statistical analysis (α = 0.05). The increasing magnitude of vertical load and thinner wall thickness of implant increased axial displacement of abutment and reverse torque loss of abutment screw (p < 0.05). Implants in the Ø 5.0 diameter group demonstrated significantly low axial displacement, and reverse torque loss after static loading than Ø 4.0 and Ø 4.5 diameter groups (p < 0.05). In the cyclic loading test, all diameter groups of implant showed significant axial displacement after 1 cycle of loading of 500 N (p < 0.05). There was no significant axial displacement after 3, 10, or 1,000,000 cycles of loading (p = 0.603). Implants with Ø 5.0 diameter demonstrated significantly low axial displacement and reverse torque loss after the cyclic and static loading of overload condition. © 2017 by the American College of Prosthodontists.

Fundamental considerations in ski binding analysis.

PubMed

Mote, C D; Hull, M L

1976-01-01

1. The static adjustment of a ski binding by hand or by available machines is only an adjustment and is neither a static nor a dynamic evaluation of the binding design. Bindings of different design with identical static adjustments will perform differently in environments in which the forces are static or dynamic. 2. The concept of binding release force is a useful measure of binding adjustment, but it is inappropriate as a criterion for binding evaluation. First, it does not direct attention toward the injury causing mechanism, strain, or displacement in the leg. Second, it is only part of the evaluation in dynamic problems. 3. The binding release decision in present bindings is displacement controlled. The relative displacement of the boot and ski is the system variable. For any specified relative displacement the binding force can be any of an infinite number of possibilities determined by the loading path. 4. The response of the leg-ski system to external impulses applied to the ski is independent of the boot-ski relative motion as long as the boot recenters quickly in the binding. Response is dependent upon the external impulse plus system inertia, damping and stiffness. 5. When tested under half sinusoidal forces applied to a test ski, all bindings will demonstrate static and impulse loading regions. In the static region the force drives the binding to a relative release displacement. In the impulse region the initial velocity of the ski drives the binding to a release displacement. 6. The transition between the static and impulse loading regions is determined by the binding's capacity to store and dissipate energy along the principal loading path. Increased energy capacity necessitates larger external impulses to produce release. 7. In all bindings examined to date, the transmitted leg displacement or strain at release under static loading exceeds leg strain under dynamic or impact loading. Because static loading is responsible for many injuries, a skier should be able to release his bindings in every mode by simply pulling or twisting his foot outward. If that cannot be done without injury, the skier has identified for himself one type of fall that will result in injury. 8. And lastly, a little advice from Ben Franklin--"Carelessness does more harm than a want of knowledge."

Cantilever Beam Static and Dynamic Response Comparison with Mid-Point Bending for Thin MDF composite Panels

Treesearch

John F. Hunt; Houjiang Zhang; Zhiren Guo; Feng Fu

2013-01-01

A new cantilever beam apparatus has been developed to measure static and vibrational properties of small and thin samples of wood or composite panels. The apparatus applies a known displacement to a cantilever beam, measures its static load, then releases it into its natural first mode of transverse vibration. Free vibrational tip displacements as a function of time...

Influence of lattice vibrations on the field driven electronic transport in chains with correlated disorder

NASA Astrophysics Data System (ADS)

da Silva, L. D.; Sales, M. O.; Ranciaro Neto, A.; Lyra, M. L.; de Moura, F. A. B. F.

2016-12-01

We investigate electronic transport in a one-dimensional model with four different types of atoms and long-ranged correlated disorder. The latter was attained by choosing an adequate distribution of on-site energies. The wave-packet dynamics is followed by taking into account effects due to a static electric field and electron-phonon coupling. In the absence of electron-phonon coupling, the competition between correlated disorder and the static electric field promotes the occurrence of wave-packet oscillations in the regime of strong correlations. When the electron-lattice coupling is switched on, phonon scattering degrades the Bloch oscillations. For weak electron-phonon couplings, a coherent oscillatory-like dynamics of the wave-packet centroid persists for short periods of time. For strong couplings the wave-packet acquires a diffusive-like displacement and spreading. A slower sub-diffusive spreading takes place in the regime of weak correlations.

Earthquake source parameters from GPS-measured static displacements with potential for real-time application

NASA Astrophysics Data System (ADS)

O'Toole, Thomas B.; Valentine, Andrew P.; Woodhouse, John H.

2013-01-01

We describe a method for determining an optimal centroid-moment tensor solution of an earthquake from a set of static displacements measured using a network of Global Positioning System receivers. Using static displacements observed after the 4 April 2010, MW 7.2 El Mayor-Cucapah, Mexico, earthquake, we perform an iterative inversion to obtain the source mechanism and location, which minimize the least-squares difference between data and synthetics. The efficiency of our algorithm for forward modeling static displacements in a layered elastic medium allows the inversion to be performed in real-time on a single processor without the need for precomputed libraries of excitation kernels; we present simulated real-time results for the El Mayor-Cucapah earthquake. The only a priori information that our inversion scheme needs is a crustal model and approximate source location, so the method proposed here may represent an improvement on existing early warning approaches that rely on foreknowledge of fault locations and geometries.

The Relationship of Static Tibial Tubercle-Trochlear Groove Measurement and Dynamic Patellar Tracking.

PubMed

Carlson, Victor R; Sheehan, Frances T; Shen, Aricia; Yao, Lawrence; Jackson, Jennifer N; Boden, Barry P

2017-07-01

The tibial tubercle to trochlear groove (TT-TG) distance is used for screening patients with a variety of patellofemoral joint disorders to determine who may benefit from patellar medialization using a tibial tubercle osteotomy. Clinically, the TT-TG distance is predominately based on static imaging with the knee in full extension; however, the predictive ability of this measure for dynamic patellar tracking patterns is unknown. To determine whether the static TT-TG distance can predict dynamic lateral displacement of the patella. Cohort study (Diagnosis); Level of evidence, 2. The static TT-TG distance was measured at full extension for 70 skeletally mature subjects with (n = 32) and without (n = 38) patellofemoral pain. The dynamic patellar tracking patterns were assessed from approximately 45° to 0° of knee flexion by use of dynamic cine-phase contrast magnetic resonance imaging. For each subject, the value of dynamic lateral tracking corresponding to the exact knee angle measured in the static images for that subject was identified. Linear regression analysis determined the predictive ability of static TT-TG distance for dynamic patellar lateral displacement for each cohort. The static TT-TG distance measured with the knee in full extension cannot accurately predict dynamic lateral displacement of the patella. There was weak predictive ability among subjects with patellofemoral pain ( r 2 = 0.18, P = .02) and no predictive capability among controls. Among subjects with patellofemoral pain and static TT-TG distances 15 mm or more, 8 of 13 subjects (62%) demonstrated neutral or medial patellar tracking patterns. The static TT-TG distance cannot accurately predict dynamic lateral displacement of the patella. A large percentage of patients with patellofemoral pain and pathologically large TT-TG distances may have neutral to medial maltracking patterns.

Polar Metals by Geometric Design

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

Kim, T. H.; Puggioni, D.; Yuan, Y.

2016-05-05

Gauss's law dictates that the net electric field inside a conductor in electrostatic equilibrium is zero by effective charge screening; free carriers within a metal eliminate internal dipoles that may arise owing to asymmetric charge distributions(1). Quantum physics supports this view(2), demonstrating that delocalized electrons make a static macroscopic polarization, an ill-defined quantity in metals(3)-it is exceedingly unusual to find a polar metal that exhibits long-range ordered dipoles owing to cooperative atomic displacements aligned from dipolar interactions as in insulating phases(4). Here we describe the quantum mechanical design and experimental realization of room-temperature polar metals in thin-film ANiO(3) perovskite nickelatesmore » using a strategy based on atomic-scale control of inversion-preserving (centric) displacements(5). We predict with ab initio calculations that cooperative polar A cation displacements are geometrically stabilized with a non-equilibrium amplitude and tilt pattern of the corner-connected NiO6 octahedra-the structural signatures of perovskites-owing to geometric constraints imposed by the underlying substrate. Heteroepitaxial thin-films grown on LaAlO3 (111) substrates fulfil the design principles. We achieve both a conducting polar monoclinic oxide that is inaccessible in compositionally identical films grown on (001) substrates, and observe a hidden, previously unreported(6-10), non-equilibrium structure in thin-film geometries. We expect that the geometric stabilization approach will provide novel avenues for realizing new multifunctional materials with unusual coexisting properties.« less

Measurement of O and Ti atom displacements in TiO 2 during flash sintering experiments

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

Yoon, Bola; Yadav, Devinder; Raj, Rishi

In-situ flash experiments on rutile TiO 2 were performed at the synchrotron at the Brookhaven National Laboratory. Pair distribution function analysis of total X-ray scattering measurements yielded mean-square atomic displacements of oxygen and titanium atoms during the progression of the 3 stages of flash. The displacements are measured to be far greater for oxygen atoms than for titanium atoms. Thus, these large displacements may signal an “elastic softening” of the lattice, which, recently, has been predicted as a precursor to the onset of flash.

Measurement of O and Ti atom displacements in TiO 2 during flash sintering experiments

DOE PAGES

Yoon, Bola; Yadav, Devinder; Raj, Rishi; ...

2017-12-29

In-situ flash experiments on rutile TiO 2 were performed at the synchrotron at the Brookhaven National Laboratory. Pair distribution function analysis of total X-ray scattering measurements yielded mean-square atomic displacements of oxygen and titanium atoms during the progression of the 3 stages of flash. The displacements are measured to be far greater for oxygen atoms than for titanium atoms. Thus, these large displacements may signal an “elastic softening” of the lattice, which, recently, has been predicted as a precursor to the onset of flash.

Methodology trends on gamma and electron radiation damage simulation studies in solids under high fluency irradiation environments

NASA Astrophysics Data System (ADS)

Cruz Inclán, Carlos M.; González Lazo, Eduardo; Rodríguez Rodríguez, Arturo; Guzmán Martínez, Fernando; Abreu Alfonso, Yamiel; Piñera Hernández, Ibrahin; Leyva Fabelo, Antonio

2017-09-01

The present work deals with the numerical simulation of gamma and electron radiation damage processes under high brightness and radiation particle fluency on regard to two new radiation induced atom displacement processes, which concern with both, the Monte Carlo Method based numerical simulation of the occurrence of atom displacement process as a result of gamma and electron interactions and transport in a solid matrix and the atom displacement threshold energies calculated by Molecular Dynamic methodologies. The two new radiation damage processes here considered in the framework of high brightness and particle fluency irradiation conditions are: 1) The radiation induced atom displacement processes due to a single primary knockout atom excitation in a defective target crystal matrix increasing its defect concentrations (vacancies, interstitials and Frenkel pairs) as a result of a severe and progressive material radiation damage and 2) The occurrence of atom displacements related to multiple primary knockout atom excitations for the same or different atomic species in an perfect target crystal matrix due to subsequent electron elastic atomic scattering in the same atomic neighborhood during a crystal lattice relaxation time. In the present work a review numeral simulation attempts of these two new radiation damage processes are presented, starting from the former developed algorithms and codes for Monte Carlo simulation of atom displacements induced by electron and gamma in

A STUDY OF DISPLACEMENT-LEVEL DEPENDENCY OF VERTICAL STIFFNESS OF PILE - COMPARISONS BETWEEN STATIC LOADING TEST AND MEASUREMENTS DURING TRAIN PASSING -

NASA Astrophysics Data System (ADS)

Nihei, Tatsuya; Nishioka, Hidetoshi; Kawamura, Chikara; Nishimura, Masahiro; Edamatsu, Masayuki; Koda, Masayuki

In order to introduce the performance based design of pile foundation, vertical stiffness of pile is one of the important design factors. Although it had been es timated the vertical stiffness of pile had the displacement-level dependency, it had been not clarified. We compared the vertical stiffness of pile measured by two loading conditions at pile foundation of the railway viaduct. Firstly, we measured the vertical stiffness at static loading test under construction of the viaduct. Secondly, we measured the vertical stiffness at the time of train passing. So, we recognized that the extrapolation of the displacement level dependency in static loading test could evaluate the vertical stiffness of pile during train passing.

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2.

PubMed

Fugel, Malte; Jayatilaka, Dylan; Hupf, Emanuel; Overgaard, Jacob; Hathwar, Venkatesha R; Macchi, Piero; Turner, Michael J; Howard, Judith A K; Dolomanov, Oleg V; Puschmann, Horst; Iversen, Bo B; Bürgi, Hans-Beat; Grabowsky, Simon

2018-01-01

Hirshfeld atom refinement (HAR) is a novel X-ray structure refinement technique that employs aspherical atomic scattering factors obtained from stockholder partitioning of a theoretically determined tailor-made static electron density. HAR overcomes many of the known limitations of independent atom modelling (IAM), such as too short element-hydrogen distances, r ( X -H), or too large atomic displacement parameters (ADPs). This study probes the accuracy and precision of anisotropic hydrogen and non-hydrogen ADPs and of r ( X -H) values obtained from HAR. These quantities are compared and found to agree with those obtained from (i) accurate neutron diffraction data measured at the same temperatures as the X-ray data and (ii) multipole modelling (MM), an established alternative method for interpreting X-ray diffraction data with the help of aspherical atomic scattering factors. Results are presented for three chemically different systems: the aromatic hydro-carbon rubrene (orthorhombic 5,6,11,12-tetra-phenyl-tetracene), a co-crystal of zwitterionic betaine, imidazolium cations and picrate anions (BIPa), and the salt potassium hydrogen oxalate (KHOx). The non-hydrogen HAR-ADPs are as accurate and precise as the MM-ADPs. Both show excellent agreement with the neutron-based values and are superior to IAM-ADPs. The anisotropic hydrogen HAR-ADPs show a somewhat larger deviation from neutron-based values than the hydrogen SHADE-ADPs used in MM. Element-hydrogen bond lengths from HAR are in excellent agreement with those obtained from neutron diffraction experiments, although they are somewhat less precise. The residual density contour maps after HAR show fewer features than those after MM. Calculating the static electron density with the def2-TZVP basis set instead of the simpler def2-SVP one does not improve the refinement results significantly. All HARs were performed within the recently introduced HARt option implemented in the Olex2 program. They are easily launched inside its graphical user interface following a conventional IAM.

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

PubMed Central

Fugel, Malte; Hathwar, Venkatesha R.; Turner, Michael J.; Howard, Judith A. K.

2018-01-01

Hirshfeld atom refinement (HAR) is a novel X-ray structure refinement technique that employs aspherical atomic scattering factors obtained from stockholder partitioning of a theoretically determined tailor-made static electron density. HAR overcomes many of the known limitations of independent atom modelling (IAM), such as too short element–hydrogen distances, r(X—H), or too large atomic displacement parameters (ADPs). This study probes the accuracy and precision of anisotropic hydrogen and non-hydrogen ADPs and of r(X—H) values obtained from HAR. These quantities are compared and found to agree with those obtained from (i) accurate neutron diffraction data measured at the same temperatures as the X-ray data and (ii) multipole modelling (MM), an established alternative method for interpreting X-ray diffraction data with the help of aspherical atomic scattering factors. Results are presented for three chemically different systems: the aromatic hydro­carbon rubrene (orthorhombic 5,6,11,12-tetra­phenyl­tetracene), a co-crystal of zwitterionic betaine, imidazolium cations and picrate anions (BIPa), and the salt potassium hydrogen oxalate (KHOx). The non-hydrogen HAR-ADPs are as accurate and precise as the MM-ADPs. Both show excellent agreement with the neutron-based values and are superior to IAM-ADPs. The anisotropic hydrogen HAR-ADPs show a somewhat larger deviation from neutron-based values than the hydrogen SHADE-ADPs used in MM. Element–hydrogen bond lengths from HAR are in excellent agreement with those obtained from neutron diffraction experiments, although they are somewhat less precise. The residual density contour maps after HAR show fewer features than those after MM. Calculating the static electron density with the def2-TZVP basis set instead of the simpler def2-SVP one does not improve the refinement results significantly. All HARs were performed within the recently introduced HARt option implemented in the Olex2 program. They are easily launched inside its graphical user interface following a conventional IAM. PMID:29354269

A Novel Laser and Video-Based Displacement Transducer to Monitor Bridge Deflections

PubMed Central

Vicente, Miguel A.; Gonzalez, Dorys C.; Minguez, Jesus; Schumacher, Thomas

2018-01-01

The measurement of static vertical deflections on bridges continues to be a first-level technological challenge. These data are of great interest, especially for the case of long-term bridge monitoring; in fact, they are perhaps more valuable than any other measurable parameter. This is because material degradation processes and changes of the mechanical properties of the structure due to aging (for example creep and shrinkage in concrete bridges) have a direct impact on the exhibited static vertical deflections. This paper introduces and evaluates an approach to monitor displacements and rotations of structures using a novel laser and video-based displacement transducer (LVBDT). The proposed system combines the use of laser beams, LED lights, and a digital video camera, and was especially designed to capture static and slow-varying displacements. Contrary to other video-based approaches, the camera is located on the bridge, hence allowing to capture displacements at one location. Subsequently, the sensing approach and the procedure to estimate displacements and the rotations are described. Additionally, laboratory and in-service field testing carried out to validate the system are presented and discussed. The results demonstrate that the proposed sensing approach is robust, accurate, and reliable, and also inexpensive, which are essential for field implementation. PMID:29587380

A Novel Laser and Video-Based Displacement Transducer to Monitor Bridge Deflections.

PubMed

Vicente, Miguel A; Gonzalez, Dorys C; Minguez, Jesus; Schumacher, Thomas

2018-03-25

The measurement of static vertical deflections on bridges continues to be a first-level technological challenge. These data are of great interest, especially for the case of long-term bridge monitoring; in fact, they are perhaps more valuable than any other measurable parameter. This is because material degradation processes and changes of the mechanical properties of the structure due to aging (for example creep and shrinkage in concrete bridges) have a direct impact on the exhibited static vertical deflections. This paper introduces and evaluates an approach to monitor displacements and rotations of structures using a novel laser and video-based displacement transducer (LVBDT). The proposed system combines the use of laser beams, LED lights, and a digital video camera, and was especially designed to capture static and slow-varying displacements. Contrary to other video-based approaches, the camera is located on the bridge, hence allowing to capture displacements at one location. Subsequently, the sensing approach and the procedure to estimate displacements and the rotations are described. Additionally, laboratory and in-service field testing carried out to validate the system are presented and discussed. The results demonstrate that the proposed sensing approach is robust, accurate, and reliable, and also inexpensive, which are essential for field implementation.

Improving atomic displacement and replacement calculations with physically realistic damage models

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

Nordlund, Kai; Zinkle, Steven J.; Sand, Andrea E.

Atomic collision processes are fundamental to numerous advanced materials technologies such as electron microscopy, semiconductor processing and nuclear power generation. Extensive experimental and computer simulation studies over the past several decades provide the physical basis for understanding the atomic-scale processes occurring during primary displacement events. The current international standard for quantifying this energetic particle damage, the Norgett-Robinson-Torrens displacements per atom (NRT-dpa) model, has nowadays several well-known limitations. In particular, the number of radiation defects produced in energetic cascades in metals is only ~1/3 the NRT-dpa prediction, while the number of atoms involved in atomic mixing is about a factor ofmore » 30 larger than the dpa value. Here we propose two new complementary displacement production estimators (athermal recombination corrected dpa, arc-dpa) and atomic mixing (replacements per atom, rpa) functions that extend the NRT-dpa by providing more physically realistic descriptions of primary defect creation in materials and may become additional standard measures for radiation damage quantification.« less

Improving atomic displacement and replacement calculations with physically realistic damage models

DOE PAGES

Nordlund, Kai; Zinkle, Steven J.; Sand, Andrea E.; ...

2018-03-14

Atomic collision processes are fundamental to numerous advanced materials technologies such as electron microscopy, semiconductor processing and nuclear power generation. Extensive experimental and computer simulation studies over the past several decades provide the physical basis for understanding the atomic-scale processes occurring during primary displacement events. The current international standard for quantifying this energetic particle damage, the Norgett-Robinson-Torrens displacements per atom (NRT-dpa) model, has nowadays several well-known limitations. In particular, the number of radiation defects produced in energetic cascades in metals is only ~1/3 the NRT-dpa prediction, while the number of atoms involved in atomic mixing is about a factor ofmore » 30 larger than the dpa value. Here we propose two new complementary displacement production estimators (athermal recombination corrected dpa, arc-dpa) and atomic mixing (replacements per atom, rpa) functions that extend the NRT-dpa by providing more physically realistic descriptions of primary defect creation in materials and may become additional standard measures for radiation damage quantification.« less

Improving atomic displacement and replacement calculations with physically realistic damage models.

PubMed

Nordlund, Kai; Zinkle, Steven J; Sand, Andrea E; Granberg, Fredric; Averback, Robert S; Stoller, Roger; Suzudo, Tomoaki; Malerba, Lorenzo; Banhart, Florian; Weber, William J; Willaime, Francois; Dudarev, Sergei L; Simeone, David

2018-03-14

Atomic collision processes are fundamental to numerous advanced materials technologies such as electron microscopy, semiconductor processing and nuclear power generation. Extensive experimental and computer simulation studies over the past several decades provide the physical basis for understanding the atomic-scale processes occurring during primary displacement events. The current international standard for quantifying this energetic particle damage, the Norgett-Robinson-Torrens displacements per atom (NRT-dpa) model, has nowadays several well-known limitations. In particular, the number of radiation defects produced in energetic cascades in metals is only ~1/3 the NRT-dpa prediction, while the number of atoms involved in atomic mixing is about a factor of 30 larger than the dpa value. Here we propose two new complementary displacement production estimators (athermal recombination corrected dpa, arc-dpa) and atomic mixing (replacements per atom, rpa) functions that extend the NRT-dpa by providing more physically realistic descriptions of primary defect creation in materials and may become additional standard measures for radiation damage quantification.

Self-interference of split HOLZ line (SIS-HOLZ) for z-dependent atomic displacement measurement: Theoretical discussion.

PubMed

Norouzpour, Mana; Rakhsha, Ramtin; Herring, Rodney

2017-06-01

A characteristic of the majority of semiconductors is the presence of lattice strain varying with the nanometer scale. Strain originates from the lattice mismatch between layers of different composition deposited during epitaxial growth. Strain can increase the mobility of the charge carriers by the band gap reduction. So, measuring atomic displacement inside crystals is an important field of interest in semiconductor industry. Among all available transmission electron microscopy techniques offering nano-scale resolution measurements, convergent beam electron diffraction (CBED) patterns show the highest sensitivity to the atomic displacement. Higher Order Laue Zone (HOLZ) lines split by small non-uniform variations of lattice constant allowing to measure the atomic displacement through the crystal. However, it could only reveal the atomic displacement in two dimensions, i.e., within the x-y plane of the thin film of TEM specimen. The z-axis atomic displacement which is along the path of the electron beam has been missing. This information can be obtained by recovering the phase information across the split HOLZ line using the self-interference of the split HOLZ line (SIS-HOLZ). In this work, we report the analytical approach used to attain the phase profile across the split HOLZ line. The phase profile is studied for three different atomic displacement fields in the Si substrate at 80nm away from its interface with Si/Si 0.8 Ge 0.2 superlattices. Copyright © 2017 Elsevier Ltd. All rights reserved.

Load reduction test method of similarity theory and BP neural networks of large cranes

NASA Astrophysics Data System (ADS)

Yang, Ruigang; Duan, Zhibin; Lu, Yi; Wang, Lei; Xu, Gening

2016-01-01

Static load tests are an important means of supervising and detecting a crane's lift capacity. Due to space restrictions, however, there are difficulties and potential danger when testing large bridge cranes. To solve the loading problems of large-tonnage cranes during testing, an equivalency test is proposed based on the similarity theory and BP neural networks. The maximum stress and displacement of a large bridge crane is tested in small loads, combined with the training neural network of a similar structure crane through stress and displacement data which is collected by a physics simulation progressively loaded to a static load test load within the material scope of work. The maximum stress and displacement of a crane under a static load test load can be predicted through the relationship of stress, displacement, and load. By measuring the stress and displacement of small tonnage weights, the stress and displacement of large loads can be predicted, such as the maximum load capacity, which is 1.25 times the rated capacity. Experimental study shows that the load reduction test method can reflect the lift capacity of large bridge cranes. The load shedding predictive analysis for Sanxia 1200 t bridge crane test data indicates that when the load is 1.25 times the rated lifting capacity, the predicted displacement and actual displacement error is zero. The method solves the problem that lifting capacities are difficult to obtain and testing accidents are easily possible when 1.25 times related weight loads are tested for large tonnage cranes.

Ammoniated alkali fullerides (ND(3))(x)NaA(2)C(60): ammonia specific effects and superconductivity.

PubMed

Margadonna, Serena; Aslanis, Efstathios; Prassides, Kosmas

2002-08-28

The crystal structure of the superconducting (ND(3))(x)()NaA(2)C(60) (0.7 < or = x < or = 1, A= K, Rb) fullerides (T(c)= 6-15 K) has been studied by synchrotron X-ray and neutron powder diffraction. It is face-centered cubic (fcc) to low temperatures with Na(+)-ND(3) pairs residing in the octahedral interstices. These are disordered over the corners of two "interpenetrating" cubes with the Na(+) ions and the N atoms displaced by approximately 2.0 A and approximately 0.5 A from the center of the site and statically disordered over the corners of the inner and outer cube, respectively. Close contacts between the D atoms of the ND(3) molecules and electron rich 6:6 C-C bonds of neighboring C(60) units provide the signature of weak N-D.pi hydrogen-bonding interactions, which control the intermolecular packing in the crystal and may determine the unusual superconducting properties.

75 FR 67233 - Federal Motor Vehicle Safety Standards; Head Restraints

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-02

... backset, backset retention and displacement, height retention, non-use position, definition of rear... backset displacement limits.\\9\\ To address this testing problem, in the May 2007 final rule the agency... ability to be fixated during static testing of head restraint displacement. Expansion of Fixation Option...

The application of 3D Zernike moments for the description of "model-free" molecular structure, functional motion, and structural reliability.

PubMed

Grandison, Scott; Roberts, Carl; Morris, Richard J

2009-03-01

Protein structures are not static entities consisting of equally well-determined atomic coordinates. Proteins undergo continuous motion, and as catalytic machines, these movements can be of high relevance for understanding function. In addition to this strong biological motivation for considering shape changes is the necessity to correctly capture different levels of detail and error in protein structures. Some parts of a structural model are often poorly defined, and the atomic displacement parameters provide an excellent means to characterize the confidence in an atom's spatial coordinates. A mathematical framework for studying these shape changes, and handling positional variance is therefore of high importance. We present an approach for capturing various protein structure properties in a concise mathematical framework that allows us to compare features in a highly efficient manner. We demonstrate how three-dimensional Zernike moments can be employed to describe functions, not only on the surface of a protein but throughout the entire molecule. A number of proof-of-principle examples are given which demonstrate how this approach may be used in practice for the representation of movement and uncertainty.

Perceptual distortion of intrapersonal and near-personal space sensed by proprioception.

PubMed

Naito, Eiichi

2002-04-01

It is known that the illusory displacement of a vibrated limb can be transferred to a nonvibrated contacted limb. The purpose of this study was to quantify and compare the transferred illusory displacements occurring in the intrapersonal and near-personal space. In two tasks, 8 male and 8 female blindfolded subjects estimated (1) the height of the left elbow and (2) the height of an external object located at the same height as the left elbow, by the proprioception of the right arm which was Subject to illusory displacement. If the internal representation of the left elbow in one's body schema could provide precise information of its static position independently of the proprioception of the right arm, the perceived displacement of the right arm might be smaller when influenced by proprioceptive information from the static left arm, than when in contrast instead with an object which is not a body part. There was no difference in the estimation of illusory displacement between male and female subjects and between right and left arms. No significant difference was observed between transferred displacements of the left elbow and the object. This means that the perception of limb position sensed by the proprioception of another limb can be distorted as easily as the perception of location of an external object. This suggests that the internal representation of static limb position is not enough to provide the correct information of current limb position in the absence of vision.

Real-time sub-Ångstrom imaging of reversible and irreversible conformations in rhodium catalysts and graphene

NASA Astrophysics Data System (ADS)

Kisielowski, Christian; Wang, Lin-Wang; Specht, Petra; Calderon, Hector A.; Barton, Bastian; Jiang, Bin; Kang, Joo H.; Cieslinski, Robert

2013-07-01

The dynamic responses of a rhodium catalyst and a graphene sheet are investigated upon random excitation with 80 kV electrons. An extraordinary electron microscope stability and resolution allow studying temporary atom displacements from their equilibrium lattice sites into metastable sites across projected distances as short as 60 pm. In the rhodium catalyst, directed and reversible atom displacements emerge from excitations into metastable interstitial sites and surface states that can be explained by single atom trajectories. Calculated energy barriers of 0.13 eV and 1.05 eV allow capturing single atom trapping events at video rates that are stabilized by the Rh [110] surface corrugation. Molecular dynamics simulations reveal that randomly delivered electrons can also reversibly enhance the sp3 and the sp1 characters of the sp2-bonded carbon atoms in graphene. The underlying collective atom motion can dynamically stabilize characteristic atom displacements that are unpredictable by single atom trajectories. We detect three specific displacements and use two of them to propose a path for the irreversible phase transformation of a graphene nanoribbon into carbene. Collectively stabilized atom displacements greatly exceed the thermal vibration amplitudes described by Debye-Waller factors and their measured dose rate dependence is attributed to tunable phonon contributions to the internal energy of the systems. Our experiments suggest operating electron microscopes with beam currents as small as zepto-amperes/nm2 in a weak-excitation approach to improve on sample integrity and allow for time-resolved studies of conformational object changes that probe for functional behavior of catalytic surfaces or molecules.

Retrieval of the atomic displacements in the crystal from the coherent X-ray diffraction pattern.

PubMed

Minkevich, A A; Köhl, M; Escoubas, S; Thomas, O; Baumbach, T

2014-07-01

The retrieval of spatially resolved atomic displacements is investigated via the phases of the direct(real)-space image reconstructed from the strained crystal's coherent X-ray diffraction pattern. It is demonstrated that limiting the spatial variation of the first- and second-order spatial displacement derivatives improves convergence of the iterative phase-retrieval algorithm for displacements reconstructions to the true solution. This approach is exploited to retrieve the displacement in a periodic array of silicon lines isolated by silicon dioxide filled trenches.

Small Displacement Coupled Analysis of Concrete Gravity Dam Foundations: Static and Dynamic Conditions

NASA Astrophysics Data System (ADS)

Farinha, Maria Luísa Braga; Azevedo, Nuno Monteiro; Candeias, Mariline

2017-02-01

The explicit formulation of a small displacement model for the coupled hydro-mechanical analysis of concrete gravity dam foundations based on joint finite elements is presented. The proposed coupled model requires a thorough pre-processing stage in order to ensure that the interaction between the various blocks which represent both the rock mass foundation and the dam is always edge to edge. The mechanical part of the model, though limited to small displacements, has the advantage of allowing an accurate representation of the stress distribution along the interfaces, such as rock mass joints. The hydraulic part and the mechanical part of the model are fully compatible. The coupled model is validated using a real case of a dam in operation, by comparison of the results with those obtained with a large displacement discrete model. It is shown that it is possible to assess the sliding stability of concrete gravity dams using small displacement models under both static and dynamic conditions.

Defect structures induced by high-energy displacement cascades in γ uranium

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

Miao, Yinbin; Beeler, Benjamin; Deo, Chaitanya

Displacement cascade simulations were conducted for the c uranium system based on molecular dynamics. A recently developed modified embedded atom method (MEAM) potential was employed to replicate the atomic interactions while an embedded atom method (EAM) potential was adopted to help characterize the defect structures induced by the displacement cascades. The atomic displacement process was studied by providing primary knock-on atoms (PKAs) with kinetic energies from 1 keV to 50 keV. The influence of the PKA incident direction was examined. The defect structures were analyzed after the systems were fully relaxed. The states of the self-interstitial atoms (SIAs) were categorizedmore » into various types of dumbbells, the crowdion, and the octahedral interstitial. The voids were determined to have a polyhedral shape with {110} facets. The size distribution of the voids was also obtained. The results of this study not only expand the knowledge of the microstructural evolution in irradiated c uranium, but also provide valuable references for the radiation-induced defects in uranium alloy fuels.« less

Large displacement vertical translational actuator based on piezoelectric thin films.

PubMed

Qiu, Zhen; Pulskamp, Jeffrey S; Lin, Xianke; Rhee, Choong-Ho; Wang, Thomas; Polcawich, Ronald G; Oldham, Kenn

2010-07-01

A novel vertical translational microactuator based on thin-film piezoelectric actuation is presented, using a set of four compound bend-up/bend-down unimorphs to produce translational motion of a moving platform or stage. The actuation material is a chemical-solution deposited lead-zirconate-titanate (PZT) thin film. Prototype designs have shown as much as 120 μ m of static displacement, with 80-90 μ m displacements being typical, using four 920 μ m long by 70 μ m legs. Analytical models are presented that accurately describe nonlinear behavior in both static and dynamic operation of prototype stages when the dependence of piezoelectric coefficients on voltage is known. Resonance of the system is observed at a frequency of 200 Hz. The large displacement and high bandwidth of the actuators at low-voltage and low-power levels should make them useful to a variety of optical applications, including endoscopic microscopy.

Charge Compensation and Electrostatic Transferability in Three Entropy Stabilized Oxides: Results from Density Functional Theory Calculations

DTIC Science & Technology

2016-09-06

displacements from ideal lattice sites, along with reduction of a few Co and Ni cations. Addition of Li to J14 reduces the lattice constant, consistent...associated with the atoms as well as in displacements of atoms from their ideal lattice sites. II. SYNTHESIS OF THE J141Sc COMPOSITION Berardan et al...Plotted in Figure 6 are the average atom displacements for the three large systems as a function of element type. For J14 (open bars), the dis

Characterization of Friction Joints Subjected to High Levels of Random Vibration

NASA Technical Reports Server (NTRS)

deSantos, Omar; MacNeal, Paul

2012-01-01

This paper describes the test program in detail including test sample description, test procedures, and vibration test results of multiple test samples. The material pairs used in the experiment were Aluminum-Aluminum, Aluminum- Dicronite coated Aluminum, and Aluminum-Plasmadize coated Aluminum. Levels of vibration for each set of twelve samples of each material pairing were gradually increased until all samples experienced substantial displacement. Data was collected on 1) acceleration in all three axes, 2) relative static displacement between vibration runs utilizing photogrammetry techniques, and 3) surface galling and contaminant generation. This data was used to estimate the values of static friction during random vibratory motion when "stick-slip" occurs and compare these to static friction coefficients measured before and after vibration testing.

Neutron diffraction study of the zeolite edingtonite

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

Kvick, A.; Smith, J.V.

1983-09-01

A neutron diffraction study at 294 K of a single crystal of edingtonite (Ba/sub 2/Al/sub 4/Si/sub 6/O/sub 20/ x 7H/sub 2/O; a 9.537(3) b 9.651(2) c 6.509(2) A; P2/sub 1/2/sub 1/2) utilized 1876 diffraction intensities from the Brookhaven National Laboratory high-flux beam reactor. The agreement factor R(F/sup 2/) = 0.055 for conventional anisotropic refinement was reduced to 0.045 for a Gram--Charlier expansion up to fourth order for the thermal factors of the water atoms. The Si--O and Al--O distances correlate inversely with the Si--O--Al angle as in scolecite. There is no indication of substitutional disorder. The barium atom is coordinatedmore » to three pairs of framework oxygens (2.89, 2.96, and 3.04 A) and two pairs of water oxygens (2.79 and 2.79 A). Two framework oxygens have weak hydrogen bonds to both water molecules (O(4)--OW(1) 2.87, -OW(2) 2.96; O(5) -OW(1) 3.02, -OW(2) 3.02 A) and the other three framework oxygens are each bonded to a Ba atom. The OW--H xxx O angles (163.5/sup 0/, 165.1/sup 0/, 173.9/sup 0/, and 178.0/sup 0/) are fairly close to 180/sup 0/, the H xxx O distances are long (1.91, 2.02, 2.09, and 2.10 A) and the observed uncorrected OW--H distances range from 0.928(6) to 0.959(4) A. Only seven out of the eight water positions are occupied (W(1) 84% occupancy; W(2) 91%). The average rms displacement of each hydrogen (0.32, 0.29, 0.27, and 0.24 A) correlates approximately with the hydrogen bond length (2.09, 2.10, 2.02, and 1.91 A). Third- and fourth-order tensor components in the displacements of the water molecules may result from anharmonic or curvilinear vibrations; however, the effect of the static displacements of the center-of-motion from interaction with unoccupied water sites may also be important.« less

Investigations of formation of quasi-static vortex-structures in granular bodies using DEM

NASA Astrophysics Data System (ADS)

Kozicki, Jan; Tejchman, Jacek

2017-06-01

The paper presents some two-dimensional simulation results of vortex-structures in cohesionless initially dense sand during quasi-static passive wall translation. The sand behaviour was simulated using the discrete element method (DEM). Sand grains were modelled by spheres with contact moments to approximately capture the irregular grain shape. In order to detect vortex-structures, the Helmholtz-Hodge decomposition of a flow displacement field from DEM calculations was used. This approach enabled us to distinguish both incompressibility and vorticity in the granular displacement field.

Biomedical applications of a commercial capacitance transducer.

DOT National Transportation Integrated Search

1968-03-01

A capacitive displacement transducer with a linear response and constant sensitivity for a frequency range of 0-1,000 Hz is described. Its application to measurement of chest wall motions was verified using static displacements from flat and curved s...

In situ disordering of monoclinic titanium monoxide Ti5O5 studied by transmission electron microscope TEM.

PubMed

Rempel, А А; Van Renterghem, W; Valeeva, А А; Verwerft, M; Van den Berghe, S

2017-09-07

The superlattice and domain structures exhibited by ordered titanium monoxide Ti 5 O 5 are disrupted by low energy electron beam irradiation. The effect is attributed to the disordering of the oxygen and titanium sublattices. This disordering is caused by the displacement of both oxygen and titanium atoms by the incident electrons and results in a phase transformation of the monoclinic phase Ti 5 O 5 into cubic B1 titanium monoxide. In order to determine the energies required for the displacement of titanium or oxygen atoms, i.e. threshold displacement energies, a systematic study of the disappearance of superstructure reflections with increasing electron energy and electron bombardment dose has been performed in situ in a transmission electron microscope (TEM). An incident electron energy threshold between 120 and 140 keV has been observed. This threshold can be ascribed to the displacements of titanium atoms with 4 as well as with 5 oxygen atoms as nearest neighbors. The displacement threshold energy of titanium atoms in Ti 5 O 5 corresponding with the observed incident electron threshold energy lies between 6.0 and 7.5 eV. This surprisingly low value can be explained by the presence of either one or two vacant oxygen lattice sites in the nearest neighbors of all titanium atoms.

Large structural modulations in the relaxor ferroelectric and intermediate state of strontium rich members (x>0.6) of the Sr{sub x}Ba{sub 1−x}Nb{sub 2}O{sub 6} (sbn) solid solution series

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

Graetsch, H.A., E-mail: heribert.graetsch@rub.de

The amplitudes of the positional, occupational and adp modulations of sbn mixed crystals are strongly enhanced for high strontium contents. The increase of structural modulations is accompanied by reduced spontaneous electric polarization largely due to smaller off-center shifts of the niobium atoms. Beyond the room temperature ferroelectric – intermediate transition near x=0.77, anomal large U{sub 33} atomic displacement parameters of the niobium atoms indicate static disorder caused by loss of orientational coupling between residual shifts of Nb atoms in neighboring NbO{sub 6} octahedra. Change of satellite intensities show a reduction from two-dimensional to one-dimensional modulation which is not consistent withmore » tetragonal symmetry. The pseudo-tetragonally twinned crystal structure of sbn82 was refined in the orthorhombic super-space group A2mm(½0γ)000. The apparent tetragonal symmetry of the other investigated sbn samples also seems to be due to pseudo tetragonal twinning with equal twin volumes. The modulations mainly consist of cooperatively tilted NbO{sub 6} octahedra and wave-like ordered incomplete occupation of the largest cation sites (Me2a and b) by Ba{sup 2+} and Sr{sup 2+}. Furthermore, the atomic displacement parameters of the Me2 sites are strongly modulated. - Graphical abstract: Satellite reflections and modulation coefficients in the solid solution series Sr{sub x}Ba{sub 1−x}Nb{sub 2}O{sub 6}. - Highlights: • The modulationed structures are refined for the whole composition range of sbn32–sbn82 in tetragonal and orthorhombic setting. • The amplitudes of positional, occupational and adp modulations increase strongly with the strontium content. • Evidence is presented that the sbn crystals are pseudo tetragonally twinned. • The ferroelectric–intermediate paraelectric transition is not accompanied by a change of symmetry. • Anomal adp of intermediate (non-ferroelectric) sbn82 indicate loss of coupling between off-center shifts of neighboring niobium.« less

Phonon dispersion evolution in uniaxially strained aluminum crystal

NASA Astrophysics Data System (ADS)

Parthasarathy, Ranganathan; Misra, Anil; Aryal, Sitaram; Ouyang, Lizhi

2018-04-01

The influence of loading upon the phonon dispersion of crystalline materials could be highly nonlinear with certain particular trends that depend upon the loading path. In this paper, we have calculated the influence of [100] uniaxial strain on the phonon dispersion and group velocities in fcc aluminum using second moments of position obtained from molecular dynamics (MD) simulation at 300 K. In contrast to nonlinear monotonic variation of both longitudinal and transverse phonon frequencies along the Δ , Λ and Σ lines of the first Brillouin zone under tension, transverse phonon branches along the Λ line show inflection at specific wavevectors when the compressive strain exceeds 5%. Further, the longitudinal group velocities along the high-symmetry Δ line vary non-monotonically with strain, reaching a minimum at 5% compressive strain. Throughout the strain range studied, the equilibrium positions of atoms displace in an affine manner preserving certain static structural symmetry. We attribute the anomalies in the phonon dispersion to the non-affine evolution of second moments of atomic position, and the associated plateauing of force constants under the applied strain path.

On the elastic–plastic decomposition of crystal deformation at the atomic scale

DOE PAGES

Stukowski, Alexander; Arsenlis, A.

2012-03-02

Given two snapshots of an atomistic system, taken at different stages of the deformation process, one can compute the incremental deformation gradient field, F, as defined by continuum mechanics theory, from the displacements of atoms. However, such a kinematic analysis of the total deformation does not reveal the respective contributions of elastic and plastic deformation. We develop a practical technique to perform the multiplicative decomposition of the deformation field, F = F eF p, into elastic and plastic parts for the case of crystalline materials. The described computational analysis method can be used to quantify plastic deformation in a materialmore » due to crystal slip-based mechanisms in molecular dynamics and molecular statics simulations. The knowledge of the plastic deformation field, F p, and its variation with time can provide insight into the number, motion and localization of relevant crystal defects such as dislocations. As a result, the computed elastic field, F e, provides information about inhomogeneous lattice strains and lattice rotations induced by the presence of defects.« less

Postural control and low back pain in elite athletes comparison of static balance in elite athletes with and without low back pain.

PubMed

Oyarzo, Claudio A; Villagrán, Claudio R; Silvestre, Rony E; Carpintero, Pedro; Berral, Francisco J

2014-01-01

Although current research findings suggest that postural control or static balance is impaired in subjects with low back pain, few studies have specifically addressed the effect of low back pain on static balance in elite athletes. Forty-four athletes belonging to Chilean national teams took part in this study; 20 had low back pain and the remaining 24 were healthy controls. Displacement of the centre of pressure was analyzed by computerized platform posturography, using a standardized protocol; subjects were required to stand upright on both feet, with eyes first open then closed. The results showed that, athletes with low back pain used significantly more energy (p< 0.0182) and had a greater displacement of the centre of pressure (p< 0.005) with open eyes to control posture than healthy athletes. It may be concluded that static balance is impaired in elite athletes with low back pain and that analysis of two-footed stance provides a sensitive assessment of static balance in athletes.

Linear complementarity formulation for 3D frictional sliding problems

USGS Publications Warehouse

Kaven, Joern; Hickman, Stephen H.; Davatzes, Nicholas C.; Mutlu, Ovunc

2012-01-01

Frictional sliding on quasi-statically deforming faults and fractures can be modeled efficiently using a linear complementarity formulation. We review the formulation in two dimensions and expand the formulation to three-dimensional problems including problems of orthotropic friction. This formulation accurately reproduces analytical solutions to static Coulomb friction sliding problems. The formulation accounts for opening displacements that can occur near regions of non-planarity even under large confining pressures. Such problems are difficult to solve owing to the coupling of relative displacements and tractions; thus, many geomechanical problems tend to neglect these effects. Simple test cases highlight the importance of including friction and allowing for opening when solving quasi-static fault mechanics models. These results also underscore the importance of considering the effects of non-planarity in modeling processes associated with crustal faulting.

Biomechanics of the incudo-malleolar-joint - Experimental investigations for quasi-static loads.

PubMed

Ihrle, S; Gerig, R; Dobrev, I; Röösli, C; Sim, J H; Huber, A M; Eiber, A

2016-10-01

Under large quasi-static loads, the incudo-malleolar joint (IMJ), connecting the malleus and the incus, is highly mobile. It can be classified as a mechanical filter decoupling large quasi-static motions while transferring small dynamic excitations. This is presumed to be due to the complex geometry of the joint inducing a spatial decoupling between the malleus and incus under large quasi-static loads. Spatial Laser Doppler Vibrometer (LDV) displacement measurements on isolated malleus-incus-complexes (MICs) were performed. With the malleus firmly attached to a probe holder, the incus was excited by applying quasi-static forces at different points. For each force application point the resulting displacement was measured subsequently at different points on the incus. The location of the force application point and the LDV measurement points were calculated in a post-processing step combining the position of the LDV points with geometric data of the MIC. The rigid body motion of the incus was then calculated from the multiple displacement measurements for each force application point. The contact regions of the articular surfaces for different load configurations were calculated by applying the reconstructed motion to the geometry model of the MIC and calculate the minimal distance of the articular surfaces. The reconstructed motion has a complex spatial characteristic and varies for different force application points. The motion changed with increasing load caused by the kinematic guidance of the articular surfaces of the joint. The IMJ permits a relative large rotation around the anterior-posterior axis through the joint when a force is applied at the lenticularis in lateral direction before impeding the motion. This is part of the decoupling of the malleus motion from the incus motion in case of large quasi-static loads. Copyright © 2015 Elsevier B.V. All rights reserved.

Resolution analysis of finite fault source inversion using one- and three-dimensional Green's functions 2. Combining seismic and geodetic data

USGS Publications Warehouse

Wald, D.J.; Graves, R.W.

2001-01-01

Using numerical tests for a prescribed heterogeneous earthquake slip distribution, we examine the importance of accurate Green's functions (GF) for finite fault source inversions which rely on coseismic GPS displacements and leveling line uplift alone and in combination with near-source strong ground motions. The static displacements, while sensitive to the three-dimensional (3-D) structure, are less so than seismic waveforms and thus are an important contribution, particularly when used in conjunction with waveform inversions. For numerical tests of an earthquake source and data distribution modeled after the 1994 Northridge earthquake, a joint geodetic and seismic inversion allows for reasonable recovery of the heterogeneous slip distribution on the fault. In contrast, inaccurate 3-D GFs or multiple 1-D GFs allow only partial recovery of the slip distribution given strong motion data alone. Likewise, using just the GPS and leveling line data requires significant smoothing for inversion stability, and hence, only a blurred vision of the prescribed slip is recovered. Although the half-space approximation for computing the surface static deformation field is no longer justifiable based on the high level of accuracy for current GPS data acquisition and the computed differences between 3-D and half-space surface displacements, a layered 1-D approximation to 3-D Earth structure provides adequate representation of the surface displacement field. However, even with the half-space approximation, geodetic data can provide additional slip resolution in the joint seismic and geodetic inversion provided a priori fault location and geometry are correct. Nevertheless, the sensitivity of the static displacements to the Earth structure begs caution for interpretation of surface displacements, particularly those recorded at monuments located in or near basin environments. Copyright 2001 by the American Geophysical Union.

Statistical Nature of Atomic Disorder in Irradiated Crystals.

PubMed

Boulle, A; Debelle, A

2016-06-17

Atomic disorder in irradiated materials is investigated by means of x-ray diffraction, using cubic SiC single crystals as a model material. It is shown that, besides the determination of depth-resolved strain and damage profiles, x-ray diffraction can be efficiently used to determine the probability density function (PDF) of the atomic displacements within the crystal. This task is achieved by analyzing the diffraction-order dependence of the damage profiles. We thereby demonstrate that atomic displacements undergo Lévy flights, with a displacement PDF exhibiting heavy tails [with a tail index in the γ=0.73-0.37 range, i.e., far from the commonly assumed Gaussian case (γ=2)]. It is further demonstrated that these heavy tails are crucial to account for the amorphization kinetics in SiC. From the retrieved displacement PDFs we introduce a dimensionless parameter f_{D}^{XRD} to quantify the disordering. f_{D}^{XRD} is found to be consistent with both independent measurements using ion channeling and with molecular dynamics calculations.

Statistical Nature of Atomic Disorder in Irradiated Crystals

NASA Astrophysics Data System (ADS)

Boulle, A.; Debelle, A.

2016-06-01

Atomic disorder in irradiated materials is investigated by means of x-ray diffraction, using cubic SiC single crystals as a model material. It is shown that, besides the determination of depth-resolved strain and damage profiles, x-ray diffraction can be efficiently used to determine the probability density function (PDF) of the atomic displacements within the crystal. This task is achieved by analyzing the diffraction-order dependence of the damage profiles. We thereby demonstrate that atomic displacements undergo Lévy flights, with a displacement PDF exhibiting heavy tails [with a tail index in the γ =0.73 - 0.37 range, i.e., far from the commonly assumed Gaussian case (γ =2 )]. It is further demonstrated that these heavy tails are crucial to account for the amorphization kinetics in SiC. From the retrieved displacement PDFs we introduce a dimensionless parameter fDXRD to quantify the disordering. fDXRD is found to be consistent with both independent measurements using ion channeling and with molecular dynamics calculations.

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

Stoller, Roger E; Nordlund, Kai; Melerba, L

The processes that give rise to changes in the microstructure and the physical and mechanical properties of materials exposed to energetic particles are initiated by essentially elastic collisions between atoms in what has been called an atomic displacement cascade. The formation and evolution of this primary radiation damage mechanism are described to provide an overview of how stable defects are formed by displacement cascades, as well as the nature and morphology of the defects themselves. The impact of the primary variables cascade energy and irradiation temperature are discussed, along with a range of secondary factors that can influence damage formation.Radiation-inducedmore » changes in microstructure and mechanical properties in structural materials are the result of a complex set of physical processes initiated by the collision between an energetic particle (neutron or ion) and an atom in the lattice. This primary damage event is called an atomic displacement cascade. The simplest description of a displacement cascade is to view it as a series of many billiard-ball-like elastic collisions among the atoms in the material. This chapter describes the formation and evolution of this primary radiation damage mechanism to provide an overview of how stable defects are formed by displacement cascades, as well as the nature and morphology of the defects themselves. The impact of the relevant variables such as cascade energy and irradiation temperature is discussed, and defect formation in different materials is compared.« less

Displacement Cascade Damage Production in Metals

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

Stoller, Roger E; Malerba, Lorenzo; Nordlund, Kai

Radiation-induced changes in microstructure and mechanical properties in structural materials are the result of a complex set of physical processes initiated by the collision between an energetic particle (neutron or ion) and an atom in the lattice. This primary damage event is called an atomic displacement cascade. The simplest description of a displacement cascade is to view it as a series of many billiard-ball-like elastic collisions among the atoms in the material. This chapter describes the formation and evolution of this primary radiation damage mechanism to provide an overview of how stable defects are formed by displacement cascades, as wellmore » as the nature and morphology of the defects themselves. The impact of the relevant variables such as cascade energy and irradiation temperature is discussed, and defect formation in different materials is compared.« less

Processing and characterization of oval piezoelectric actuators

NASA Astrophysics Data System (ADS)

Jadidian, B.; Allahverdi, M.; Mohammadi, F.; Safari, A.

2002-03-01

The processing and characterization of piezoelectric actuators with oval geometry are presented. The monolithic actuators were fabricated using the fused deposition of ceramic process. The minor diameter of the ovals varied between 2 and 14 mm and their major diameter, wall thickness, and width were 20, 0.85, and 7 mm, respectively. When driven under electric field, the actuators expanded along their minor diameter. The static and dynamic displacements of ˜7 and ˜5.6 μm were observed at 850 V(dc) and 100 V(ac). The static displacement of the ovals varied almost linearly with voltage and did not change under the application of external load in the range of 1-15 N. However, both dynamic displacement and resonant frequency of the ovals varied, with a maximum of 42 μm and 38 Hz, respectively, under 13 N load.

Atomic Oxygen Textured Polymers

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Rutledge, Sharon K.; Hunt, Jason D.; Drobotij, Erin; Cales, Michael R.; Cantrell, Gidget

1995-01-01

Atomic oxygen can be used to microscopically alter the surface morphology of polymeric materials in space or in ground laboratory facilities. For polymeric materials whose sole oxidation products are volatile species, directed atomic oxygen reactions produce surfaces of microscopic cones. However, isotropic atomic oxygen exposure results in polymer surfaces covered with lower aspect ratio sharp-edged craters. Isotropic atomic oxygen plasma exposure of polymers typically causes a significant decrease in water contact angle as well as altered coefficient of static friction. Such surface alterations may be of benefit for industrial and biomedical applications. The results of atomic oxygen plasma exposure of thirty-three (33) different polymers are presented, including typical morphology changes, effects on water contact angle, and coefficient of static friction.

Static electric dipole polarizability of lithium atoms in Debye plasmas

NASA Astrophysics Data System (ADS)

Ning, Li-Na; Qi, Yue-Ying

2012-12-01

The static electric dipole polarizabilities of the ground state and n <= 3 excited states of a lithium atom embedded in a weekly coupled plasma environment are investigated as a function of the plasma screening radium. The plasma screening of the Coulomb interaction is described by the Debye—Hückel potential and the interaction between the valence electron and the atomic core is described by a model potential. The electron energies and wave functions for both the bound and continuum states are calculated by solving the Schrödinger equation numerically using the symplectic integrator. The oscillator strengths, partial-wave, and total static dipole polarizabilities of the ground state and n <= 3 excited states of the lithium atom are calculated. Comparison of present results with those of other authors, when available, is made. The results for the 2s ground state demonstrated that the oscillator strengths and the static dipole polarizabilities from np orbitals do not always increase or decrease with the plasma screening effect increasing, unlike that for hydrogen-like ions, especially for 2s→3p transition there is a zero value for both the oscillator strength and the static dipole polarizability for screening length D = 10.3106a0, which is associated with the Cooper minima.

Detecting the Curvature of de Sitter Universe with Two Entangled Atoms

NASA Astrophysics Data System (ADS)

Tian, Zehua; Wang, Jieci; Jing, Jiliang; Dragan, Andrzej

2016-10-01

Casimir-Polder interaction arises from the vacuum fluctuations of quantum field that depend on spacetime curvature and thus is spacetime-dependent. Here we show how to use the resonance Casimir-Polder interaction (RCPI) between two entangled atoms to detect spacetime curvature. We find that the RCPI of two static entangled atoms in the de Sitter-invariant vacuum depends on the de Sitter spacetime curvature relevant to the temperature felt by the static observer. It is characterized by a 1/L2 power law decay when beyond a characteristic length scale associated to the breakdown of a local inertial description of the two-atom system. However, the RCPI of the same setup embedded in a thermal bath in the Minkowski universe is temperature-independent and is always characterized by a 1/L power law decay. Therefore, although a single static atom in the de Sitter-invariant vacuum responds as if it were bathed in thermal radiation in a Minkowski universe, using the distinct difference between RCPI of two entangled atoms one can in principle distinguish these two universes.

Detecting the Curvature of de Sitter Universe with Two Entangled Atoms.

PubMed

Tian, Zehua; Wang, Jieci; Jing, Jiliang; Dragan, Andrzej

2016-10-12

Casimir-Polder interaction arises from the vacuum fluctuations of quantum field that depend on spacetime curvature and thus is spacetime-dependent. Here we show how to use the resonance Casimir-Polder interaction (RCPI) between two entangled atoms to detect spacetime curvature. We find that the RCPI of two static entangled atoms in the de Sitter-invariant vacuum depends on the de Sitter spacetime curvature relevant to the temperature felt by the static observer. It is characterized by a 1/L 2 power law decay when beyond a characteristic length scale associated to the breakdown of a local inertial description of the two-atom system. However, the RCPI of the same setup embedded in a thermal bath in the Minkowski universe is temperature-independent and is always characterized by a 1/L power law decay. Therefore, although a single static atom in the de Sitter-invariant vacuum responds as if it were bathed in thermal radiation in a Minkowski universe, using the distinct difference between RCPI of two entangled atoms one can in principle distinguish these two universes.

Detecting the Curvature of de Sitter Universe with Two Entangled Atoms

PubMed Central

Tian, Zehua; Wang, Jieci; Jing, Jiliang; Dragan, Andrzej

2016-01-01

Casimir-Polder interaction arises from the vacuum fluctuations of quantum field that depend on spacetime curvature and thus is spacetime-dependent. Here we show how to use the resonance Casimir-Polder interaction (RCPI) between two entangled atoms to detect spacetime curvature. We find that the RCPI of two static entangled atoms in the de Sitter-invariant vacuum depends on the de Sitter spacetime curvature relevant to the temperature felt by the static observer. It is characterized by a 1/L2 power law decay when beyond a characteristic length scale associated to the breakdown of a local inertial description of the two-atom system. However, the RCPI of the same setup embedded in a thermal bath in the Minkowski universe is temperature-independent and is always characterized by a 1/L power law decay. Therefore, although a single static atom in the de Sitter-invariant vacuum responds as if it were bathed in thermal radiation in a Minkowski universe, using the distinct difference between RCPI of two entangled atoms one can in principle distinguish these two universes. PMID:27731419

Spontaneous reorientations of meta-atoms and electromagnetic spatial solitons in a liquid metacrystal.

PubMed

Zharov, Alexander A; Zharov, Alexander A; Zharova, Nina A

2014-08-01

We show that transverse electromagnetic waves propagating along an external static electric field in liquid metacrystal (LMC) can provoke spontaneous rearrangement of elongated meta-atoms that changes the direction of the anisotropy axis of the LMC. This kind of instability may reorient the meta-atoms from the equilibrium state parallel to a static field to the state along a high-frequency field and back at the different threshold intensities of electromagnetic waves in such a way that bistability in the system takes place. Reorientation of meta-atoms causes a change in the effective refraction index of LMC that creates, in turn, the conditions for the formation of bright spatial solitons. Such spatial solitons are the self-consistent domains of redirected meta-atoms with trapped photons. We find that the instability thresholds as well as energy flux captured by the spatial soliton can be easily managed by variation of the static electric field applied to the LMC. We study the effects of soliton excitation and collisions via numerical simulations.

Simulations of threshold displacement in beryllium

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

Jackson, Matthew L.; Culham Centre for Fusion Energy, Culham Science Centre, Abingdon, Oxfordshire OX14 3DB; Fossati, Paul C. M.

Atomic scale molecular dynamics simulations of radiation damage have been performed on beryllium. Direct threshold displacement simulations along a geodesic projection of directions were used to investigate the directional dependence with a high spatial resolution. It was found that the directionally averaged probability of displacement increases from 0 at 35 eV, with the energy at which there is a 50% chance of a displacement occurring is 70 eV and asymptotically approaching 1 for higher energies. This is, however, strongly directionally dependent with a 50% probability of displacement varying from 35 to 120 eV, with low energy directions corresponding to the nearest neighbour directions.more » A new kinetic energy dependent expression for the average maximum displacement of an atom as a function of energy is derived which closely matches the simulated data.« less

An approach to optimization of low-power Stirling cryocoolers

NASA Technical Reports Server (NTRS)

Sullivan, D. B.; Radebaugh, R.; Daney, D. E.; Zimmerman, J. E.

1983-01-01

A method for optimizing the design (shape of the displacer) of low power Stirling cryocoolers relative to the power required to operate the systems is described. A variational calculation which includes static conduction, shuttle and radiation losses, as well as regenerator inefficiency, was completed for coolers operating in the 300 K to 10 K range. While the calculations apply to tapered displacer machines, comparison of the results with stepped displacer cryocoolers indicates reasonable agreement.

Approach to optimization of low-power Stirling cryocoolers

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

Sullivan, D.B.; Radebaugh, R.; Daney, D.E.

1983-12-01

A method for optimizing the design (shape of the displacer) of low power Stirling cryocoolers relative to the power required to operate the systems is described. A variational calculation which includes static conduction, shuttle and radiation losses, as well as regenerator inefficiency, was completed for coolers operating in the 300 K to 10 K range. While the calculations apply to tapered displacer machines, comparison of the results with stepped displacer cryocoolers indicates reasonable agreement.

Atomization, drop size, and penetration for cross-stream water injection at high-altitude reentry conditions with application to the RAM C-1 and C-3 flights

NASA Technical Reports Server (NTRS)

Gooderum, P. B.; Bushnell, D. M.

1972-01-01

Atomization, drop size, and penetration data are presented for cross stream water injection at conditions simulating high altitude reentry (low Weber number, high static temperature, high Knudsen number, and low static pressure). These results are applied to the RAM C-1 and C-3 flights. Two primary breakup modes are considered, vapor pressure or flashing and aerodynamic atomization. Results are given for breakup boundaries and mean drop size for each of these atomization mechanisms. Both standard and flight orifice geometries are investigated. The data were obtained in both a static environment and in conventional aerodynamic facilities at Mach numbers of 4.5 and 8. The high temperature aspects of reentry were simulated in a Mach 5.5 cyanogen-oxygen tunnel with total temperature of 4500 K.

Flight-test data on the static fore-and-aft stability of various German airplanes

NASA Technical Reports Server (NTRS)

Hubner, Walter

1933-01-01

The static longitudinal stability of an airplane with locked elevator is usually determined by analysis and model tests. The present report proposes to supply the results of such measurements. The method consisted of recording the dynamic pressure versus elevator displacement at different center-of-gravity positions in unaccelerated flight.

Development and Application of Benchmark Examples for Mixed-Mode I/II Quasi-Static Delamination Propagation Predictions

NASA Technical Reports Server (NTRS)

Krueger, Ronald

2012-01-01

The development of benchmark examples for quasi-static delamination propagation prediction is presented. The example is based on a finite element model of the Mixed-Mode Bending (MMB) specimen for 50% mode II. The benchmarking is demonstrated for Abaqus/Standard, however, the example is independent of the analysis software used and allows the assessment of the automated delamination propagation prediction capability in commercial finite element codes based on the virtual crack closure technique (VCCT). First, a quasi-static benchmark example was created for the specimen. Second, starting from an initially straight front, the delamination was allowed to propagate under quasi-static loading. Third, the load-displacement as well as delamination length versus applied load/displacement relationships from a propagation analysis and the benchmark results were compared, and good agreement could be achieved by selecting the appropriate input parameters. The benchmarking procedure proved valuable by highlighting the issues associated with choosing the input parameters of the particular implementation. Overall, the results are encouraging, but further assessment for mixed-mode delamination fatigue onset and growth is required.

Considerable knock-on displacement of metal atoms under a low energy electron beam.

PubMed

Gu, Hengfei; Li, Geping; Liu, Chengze; Yuan, Fusen; Han, Fuzhou; Zhang, Lifeng; Wu, Songquan

2017-03-15

Under electron beam irradiation, knock-on atomic displacement is commonly thought to occur only when the incident electron energy is above the incident-energy threshold of the material in question. However, we report that when exposed to intense electrons at room temperature at a low incident energy of 30 keV, which is far below the theoretically predicted incident-energy threshold of zirconium, Zircaloy-4 (Zr-1.50Sn-0.25Fe-0.15Cr (wt.%)) surfaces can undergo considerable displacement damage. We demonstrate that electron beam irradiation of the bulk Zircaloy-4 surface resulted in a striking radiation effect that nanoscale precipitates within the surface layer gradually emerged and became clearly visible with increasing the irradiation time. Our transmission electron microscope (TEM) observations further reveal that electron beam irradiation of the thin-film Zircaly-4 surface caused the sputtering of surface α-Zr atoms, the nanoscale atomic restructuring in the α-Zr matrix, and the amorphization of precipitates. These results are the first direct evidences suggesting that displacement of metal atoms can be induced by a low incident electron energy below threshold. The presented way to irradiate may be extended to other materials aiming at producing appealing properties for applications in fields of nanotechnology, surface technology, and others.

The interaction between atomic displacement cascades and tilt symmetrical grain boundaries in α-zirconium

NASA Astrophysics Data System (ADS)

Kapustin, P.; Svetukhin, V.; Tikhonchev, M.

2017-06-01

The atomic displacement cascade simulations near symmetric tilt grain boundaries (GBs) in hexagonal close packed-Zirconium were considered in this paper. Further defect structure analysis was conducted. Four symmetrical tilt GBs -∑14?, ∑14? with the axis of rotation [0 0 0 1] and ∑32?, ∑32? with the axis of rotation ? - were considered. The molecular dynamics method was used for atomic displacement cascades' simulation. A tendency of the point defects produced in the cascade to accumulate near the GB plane, which was an obstacle to the spread of the cascade, was discovered. The results of the point defects' clustering produced in the cascade were obtained. The clusters of both types were represented mainly by single point defects. At the same time, vacancies formed clusters of a large size (more than 20 vacancies per cluster), while self-interstitial atom clusters were small-sized.

Quantification of surface displacements and electromechanical phenomena via dynamic atomic force microscopy

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

Balke, Nina; Jesse, Stephen; Yu, Pu

Detection of dynamic surface displacements associated with local changes in material strain provides access to a number of phenomena and material properties. Contact resonance-enhanced methods of atomic force microscopy (AFM) have been shown capable of detecting ~1–3 pm-level surface displacements, an approach used in techniques such as piezoresponse force microscopy, atomic force acoustic microscopy, and ultrasonic force microscopy. Here, based on an analytical model of AFM cantilever vibrations, we demonstrate a guideline to quantify surface displacements with high accuracy by taking into account the cantilever shape at the first resonant contact mode, depending on the tip–sample contact stiffness. The approachmore » has been experimentally verified and further developed for piezoresponse force microscopy (PFM) using well-defined ferroelectric materials. These results open up a way to accurate and precise measurements of surface displacement as well as piezoelectric constants at the pm-scale with nanometer spatial resolution and will allow avoiding erroneous data interpretations and measurement artifacts. Furthermore, this analysis is directly applicable to all cantilever-resonance-based scanning probe microscopy (SPM) techniques.« less

Quantification of surface displacements and electromechanical phenomena via dynamic atomic force microscopy

DOE PAGES

Balke, Nina; Jesse, Stephen; Yu, Pu; ...

2016-09-15

Detection of dynamic surface displacements associated with local changes in material strain provides access to a number of phenomena and material properties. Contact resonance-enhanced methods of atomic force microscopy (AFM) have been shown capable of detecting ~1–3 pm-level surface displacements, an approach used in techniques such as piezoresponse force microscopy, atomic force acoustic microscopy, and ultrasonic force microscopy. Here, based on an analytical model of AFM cantilever vibrations, we demonstrate a guideline to quantify surface displacements with high accuracy by taking into account the cantilever shape at the first resonant contact mode, depending on the tip–sample contact stiffness. The approachmore » has been experimentally verified and further developed for piezoresponse force microscopy (PFM) using well-defined ferroelectric materials. These results open up a way to accurate and precise measurements of surface displacement as well as piezoelectric constants at the pm-scale with nanometer spatial resolution and will allow avoiding erroneous data interpretations and measurement artifacts. Furthermore, this analysis is directly applicable to all cantilever-resonance-based scanning probe microscopy (SPM) techniques.« less

Oxidation-state sensitive imaging of cerium dioxide by atomic-resolution low-angle annular dark field scanning transmission electron microscopy.

PubMed

Johnston-Peck, Aaron C; Winterstein, Jonathan P; Roberts, Alan D; DuChene, Joseph S; Qian, Kun; Sweeny, Brendan C; Wei, Wei David; Sharma, Renu; Stach, Eric A; Herzing, Andrew A

2016-03-01

Low-angle annular dark field (LAADF) scanning transmission electron microscopy (STEM) imaging is presented as a method that is sensitive to the oxidation state of cerium ions in CeO2 nanoparticles. This relationship was validated through electron energy loss spectroscopy (EELS), in situ measurements, as well as multislice image simulations. Static displacements caused by the increased ionic radius of Ce(3+) influence the electron channeling process and increase electron scattering to low angles while reducing scatter to high angles. This process manifests itself by reducing the high-angle annular dark field (HAADF) signal intensity while increasing the LAADF signal intensity in close proximity to Ce(3+) ions. This technique can supplement STEM-EELS and in so doing, relax the experimental challenges associated with acquiring oxidation state information at high spatial resolutions. Published by Elsevier B.V.

Rapid kinematic finite source inversion for Tsunamic Early Warning using high rate GNSS data

NASA Astrophysics Data System (ADS)

Chen, K.; Liu, Z.; Song, Y. T.

2017-12-01

Recently, Global Navigation Satellite System (GNSS) has been used for rapid earthquake source inversion towards tsunami early warning. In practice, two approaches, i.e., static finite source inversion based on permanent co-seismic offsets and kinematic finite source inversion using high-rate (>= 1 Hz) co-seismic displacement waveforms, are often employed to fulfill the task. The static inversion is relatively easy to be implemented and does not require additional constraints on rupture velocity, duration, and temporal variation. However, since most GNSS receivers are deployed onshore locating on one side of the subduction fault, there is very limited resolution on near-trench fault slip using GNSS in static finite source inversion. On the other hand, the high-rate GNSS displacement waveforms, which contain the timing information of earthquake rupture explicitly and static offsets implicitly, have the potential to improve near-trench resolution by reconciling with the depth-dependent megathrust rupture behaviors. In this contribution, we assess the performance of rapid kinematic finite source inversion using high-rate GNSS by three selected historical tsunamigenic cases: the 2010 Mentawai, 2011 Tohoku and 2015 Illapel events. With respect to the 2010 Mentawai case, it is a typical tsunami earthquake with most slip concentrating near the trench. The static inversion has little resolution there and incorrectly puts slip at greater depth (>10km). In contrast, the recorded GNSS displacement waveforms are deficit in high-frequency energy, the kinematic source inversion recovers a shallow slip patch (depth less than 6 km) and tsunami runups are predicted quite reasonably. For the other two events, slip from kinematic and static inversion show similar characteristics and comparable tsunami scenarios, which may be related to dense GNSS network and behavior of the rupture. Acknowledging the complexity of kinematic source inversion in real-time, we adopt the back-projection approach to provide constraint on rupture velocity.

Approach to optimization of low-power Stirling cryocoolers. Final report

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

Sullivan, D.B.; Radebaugh, R.; Daney, D.E.

1983-01-01

The authors describe a method for optimizing the design (shape of the displacer) of low-power Stirling cryocoolers relative to the power required to operate the systems. A variational calculation which includes static conduction, shuttle, and radiation losses, as well as regenerator inefficiency, has been completed for coolers operating in the 300 K to 10 K range. While the calculations apply to tapered displacer machines, comparison of the results with stepped-displacer cryocoolers indicates reasonable agreement.

A Simple Sensor Model for THUNDER Actuators

NASA Technical Reports Server (NTRS)

Campbell, Joel F.; Bryant, Robert G.

2009-01-01

A quasi-static (low frequency) model is developed for THUNDER actuators configured as displacement sensors based on a simple Raleigh-Ritz technique. This model is used to calculate charge as a function of displacement. Using this and the calculated capacitance, voltage vs. displacement and voltage vs. electrical load curves are generated and compared with measurements. It is shown this model gives acceptable results and is useful for determining rough estimates of sensor output for various loads, laminate configurations and thicknesses.

In-Situ Ultra Low Frequency Poroelastic Response of a Natural Macro-Fracture

NASA Astrophysics Data System (ADS)

Guglielmi, Y.; Cappa, F.; Rutqvist, J.; Tsang, C.; Gaffet, S.

2008-12-01

The seismic visibility of macro-fractures filled with fluids is a central problem in the exploration of thermo- hydro-mechanical and chemical processes that occur in Earth' s subsurface. Most studies have been concerned (1) with cracks of a small size relative to the seismic wavelength (2) with "core-sized" samples of single macro-fractures. In comparison, in-situ studies of macro-fractures are very rare and no real estimate is made of the relevance of this convenient "core-sized" data to in-situ reservoirs in general. In this study, we present a new experimental approach to in-situ characterize mechanical and hydraulic properties of fractures using the innovative HPPP protocol. This protocol allows simultaneous high-frequency (120.2 Hz) sampling of normal displacement and fluid pressure in a borehole intersecting the fracture. We show preliminary results conducted in a single fracture vertically embedded in a carbonate reservoir that contains 3 sets of macro-fractures with an average 2m spacing. Two HPPP probes were set, spaced one meter vertically in the fracture. Two types of ULF seismic sources are applied: a fluid pressure pulse injected in the fracture and a hammer hit at a point located 5m far from the fracture plane. There is a highly non-linear variation of fracture normal displacement-versus- fluid pressure as a function of frequency, the higher the frequency, the lower the displacement spectral amplitude is. The pressure pulse and the hammer hit allow exploring the fracture poroelastic response in the [0 - 3Hz] frequency range. The fracture plays the role of a "low-pass" filter for fluid pressure waves; only a quasi-static pressure signal being registered at the receiver. The displacement wave propagation is more complex resulting in uncoupled quasi-static-pressure-2Hz-deformation signals at the receiver. For low magnitude seismic sources (low amplitude pulse and seismic wave), the fracture natural resonance is amplified resulting in separate signals power spectral peaks. When fluid pressure is enough increased, hydraulic diffusion takes place at frequencies lower than 1.2 Hz. Poroelastic effects related to static hydraulic diffusion and to wave propagation were described separately using a linear elastic model where the fracture was treated as a displacement discontinuity across which stresses are continuous but displacement are discontinuous. It appears that the dynamic fracture normal stiffness at 2 to 3 Hz is a factor of 2.8 higher than the static stiffness although the fracture displays a high hydraulic aperture of 10-4 m. This surprising result is related to a high heterogeneity of the fracture channel network with a large porosity/permeability contrast that does not allow fluid displacement under dynamic loading. The HPPP approach appears as a possibility to in-situ characterize such fractures static to seismic poroelastic heterogeneous properties.

Molecular dynamics studies of displacement cascades in Fe-Y{sub 2}TiO{sub 5} system

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

Dholakia, Manan, E-mail: manan@igcar.gov.in; Chandra, Sharat; Jaya, S. Mathi

The effect of displacement cascade on Fe-Y{sub 2}TiO{sub 5} bilayer is studied using classical molecular dynamics simulations. Different PKA species – Fe, Y, Ti and O – with the same PKA energy of 8 keV are used to produce displacement cascades that encompass the interface. It is shown that Ti atom has the highest movement in the ballistic regime of cascades which can lead to Ti atoms moving out of the oxide clusters into the Fe matrix in ODS alloys.

The Indeterminate Case of Classical Static Friction When Coupled with Tension

NASA Astrophysics Data System (ADS)

Hahn, Kenneth D.; Russell, Jacob M.

2018-02-01

It has been noted that the static friction force poses challenges for students and, at times, even their instructors. Unlike the gravitational force, which has a precise and unambiguous magnitude (FG = mg), the magnitude and direction of the static friction force depend on other forces at play. Friction can be understood rather well in terms of complicated atomic-scale interactions between surfaces. Ringlein and Robbins survey aspects of the atomic origins of friction, and Folkerts explores factors that affect the value of static friction. However, what students typically encounter in an introductory course ignores the atomic origins of friction (beyond perhaps a brief overview of the atomic model). The rules of dry friction (i.e., non-lubricated surfaces in contact) taught in introductory physics were originally published in 1699 by Guillaume Amontons. Amontons's first law states that the force of friction is directly proportional to the applied load, i.e., f = μFN, where FN is the normal force and μ is the coefficient of friction. His second law states that the force of friction is independent of the macroscopic area of contact. These laws were verified by Coulomb in 1781.

DFT study of the polarization behaviors of various distorted barium titanate crystals: The role of atomic displacements

NASA Astrophysics Data System (ADS)

Mirseraji, Mojtaba; Shahraki, Mehran Gholipour

2018-06-01

A Local Density Approximation (LDA) was employed to investigate the influence of applied strains on valence charge distributions, atomic displacements, Tisbnd O (3) bond distances and the total polarizations in barium titanate (BaTiO3). Four types of various strains were imposed on perfect tetragonal BaTiO3 along the a, c, ab and abc axial directions. Electromechanical properties of BaTiO3 were evaluated in LDA framework and a good agreement with previous results was achieved. The results show that, in the cases of a, ab strains, the values of polarization are almost constant in negative strains and increased by gradual increasing of the positive strains after a sudden enhancement at about +0.1% strain. In the case of c-strain, axial oxygen and Ti atoms underwent the highest displacements and the polarization linearly increased by applied strain. The case of abc-strain, represent the both types of features. In negative abc-strain show a similar polarization behavior like c-strain case and in positive region, polarization behavior is the same as a- and ab-strain cases. In the abc-strains of -0.3% and +0.1%, an abrupt jump in total polarization curve and a small change, are observed due to abnormal atomic displacements. In the most cases a direct relation between polarization and Tisbnd O (3) bond distance was also beheld. Finally, the effects of valence charge distributions on the atomic displacements and total polarizations are studied. It is found that there is a direct relation between polarization and Valence Charge Asymmetry of 3d -orbitals.

Three-dimensional fracture instability of a displacement-weakening planar interface under locally peaked nonuniform loading

NASA Astrophysics Data System (ADS)

Uenishi, Koji

2018-06-01

We consider stability of fracture on a three-dimensional planar interface subjected to a loading stress that is locally peaked spatially, the level of which increases quasi-statically in time. Similar to the earlier study on the two-dimensional case (Uenishi and Rice, 2003; Rice and Uenishi, 2010), as the loading stress increases, a crack, or a region of displacement discontinuity (opening gap in tension or slip for shear fracture), develops on the interface where the stress is presumed to decrease according to a displacement-weakening constitutive relation. Upon reaching the instability point at which no further quasi-static solution for the extension of the crack on the interface exists, dynamic fracture follows. For the investigation of this instability point, we employ a dimensional analysis as well as an energy approach that gives a Rayleigh-Ritz approximation for the dependence of crack size and maximum displacement discontinuity on the level and quadratic shape of the loading stress distribution. We show that, if the linear displacement-weakening law is applied and the crack may be assumed of an elliptical form, the critical crack size at instability is independent of the curvature of the loading stress distribution and it is of the same order for all two- and three-dimensional cases.

A Comparison of Laser and Video Techniques for Determining Displacement and Velocity during Running

ERIC Educational Resources Information Center

Harrison, Andrew J.; Jensen, Randall L.; Donoghue, Orna

2005-01-01

The reliability of a laser system was compared with the reliability of a video-based kinematic analysis in measuring displacement and velocity during running. Validity and reliability of the laser on static measures was also assessed at distances between 10 m and 70 m by evaluating the coefficient of variation and intraclass correlation…

Effects of helium concentration and radiation temperature on interaction of helium atoms with displacement cascades in bcc iron

NASA Astrophysics Data System (ADS)

Gao, Chan; Tian, Dongfeng; Li, Maosheng; Qian, Dazhi

2018-03-01

In fusion applications, helium, implanted or created by transmutation, plays an important role in the response of reduced-activation ferritic/martensitic steels to neutron radiation damage. The effects of helium concentration and radiation temperature on interaction of interstitial helium atoms with displacement cascades have been studied in Fe-He system using molecular dynamics with recently developed Fe-He potential. Results indicate that interstitial helium atoms produce no additional defects at peak time and promote recombination of Frenkel pairs at lower helium concentrations, but suppress recombination of Frenkel pairs at larger helium concentrations. Moreover, large helium concentrations promote the production of defects at the end of cascades. The number of substitutional helium atoms increases with helium concentration at peak time and the end of cascades, but the number of substitutional helium atoms at peak time is smaller than that at the end of displacement cascades. High radiation temperatures promote the production at peak time and the recombination of defects at the end of cascades. The number of substitutional helium atoms increases with radiation temperature, but that at peak time is smaller than that at the end of cascades.

Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case.

PubMed

Guillot, Benoît; Jelsch, Christian; Podjarny, Alberto; Lecomte, Claude

2008-05-01

The valence electron density of the protein human aldose reductase was analyzed at 0.66 angstroms resolution. The methodological developments in the software MoPro to adapt standard charge-density techniques from small molecules to macromolecular structures are described. The deformation electron density visible in initial residual Fourier difference maps was significantly enhanced after high-order refinement. The protein structure was refined after transfer of the experimental library multipolar atom model (ELMAM). The effects on the crystallographic statistics, on the atomic thermal displacement parameters and on the structure stereochemistry are analyzed. Constrained refinements of the transferred valence populations Pval and multipoles Plm were performed against the X-ray diffraction data on a selected substructure of the protein with low thermal motion. The resulting charge densities are of good quality, especially for chemical groups with many copies present in the polypeptide chain. To check the effect of the starting point on the result of the constrained multipolar refinement, the same charge-density refinement strategy was applied but using an initial neutral spherical atom model, i.e. without transfer from the ELMAM library. The best starting point for a protein multipolar refinement is the structure with the electron density transferred from the database. This can be assessed by the crystallographic statistical indices, including Rfree, and the quality of the static deformation electron-density maps, notably on the oxygen electron lone pairs. The analysis of the main-chain bond lengths suggests that stereochemical dictionaries would benefit from a revision based on recently determined unrestrained atomic resolution protein structures.

Note: Seesaw actuation of atomic force microscope probes for improved imaging bandwidth and displacement range

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

Torun, H.; Torello, D.; Degertekin, F. L.

2011-08-15

The authors describe a method of actuation for atomic force microscope (AFM) probes to improve imaging speed and displacement range simultaneously. Unlike conventional piezoelectric tube actuation, the proposed method involves a lever and fulcrum ''seesaw'' like actuation mechanism that uses a small, fast piezoelectric transducer. The lever arm of the seesaw mechanism increases the apparent displacement range by an adjustable gain factor, overcoming the standard tradeoff between imaging speed and displacement range. Experimental characterization of a cantilever holder implementing the method is provided together with comparative line scans obtained with contact mode imaging. An imaging bandwidth of 30 kHz inmore » air with the current setup was demonstrated.« less

Perceived spatial displacement of motion-defined contours in peripheral vision.

PubMed

Fan, Zhao; Harris, John

2008-12-01

The perceived displacement of motion-defined contours in peripheral vision was examined in four experiments. In Experiment 1, in line with Ramachandran and Anstis' finding [Ramachandran, V. S., & Anstis, S. M. (1990). Illusory displacement of equiluminous kinetic edges. Perception, 19, 611-616], the border between a field of drifting dots and a static dot pattern was apparently displaced in the same direction as the movement of the dots. When a uniform dark area was substituted for the static dots, a similar displacement was found, but this was smaller and statistically insignificant. In Experiment 2, the border between two fields of dots moving in opposite directions was displaced in the direction of motion of the dots in the more eccentric field, so that the location of a boundary defined by a diverging pattern is perceived as more eccentric, and that defined by a converging as less eccentric. Two explanations for this effect (that the displacement reflects a greater weight given to the more eccentric motion, or that the region containing stronger centripetal motion components expands perceptually into that containing centrifugal motion) were tested in Experiment 3, by varying the velocity of the more eccentric region. The results favoured the explanation based on the expansion of an area in centripetal motion. Experiment 4 showed that the difference in perceived location was unlikely to be due to differences in the discriminability of contours in diverging and converging patterns, and confirmed that this effect is due to a difference between centripetal and centrifugal motion rather than motion components in other directions. Our result provides new evidence for a bias towards centripetal motion in human vision, and suggests that the direction of motion-induced displacement of edges is not always in the direction of an adjacent moving pattern.

Analysis of progressive damage in thin circular laminates due to static-equivalent impact loads

NASA Technical Reports Server (NTRS)

Shivakumar, K. N.; Elber, W.; Illg, W.

1983-01-01

Clamped circular graphite/epoxy plates (25.4, 38.1, and 50.8 mm radii) with an 8-ply quasi-isotropic layup were analyzed for static-equivalent impact loads using the minimum-total-potential-energy method and the von Karman strain-displacement equations. A step-by-step incremental transverse displacement procedure was used to calculate plate load and ply stresses. The ply failure region was calculated using the Tsai-Wu criterion. The corresponding failure modes (splitting and fiber failure) were determined using the maximum stress criteria. The first-failure mode was splitting and initiated first in the bottom ply. The splitting-failure thresholds were relatively low and tended to be lower for larger plates than for small plates. The splitting-damage region in each ply was elongated in its fiber direction; the bottom ply had the largest damage region. The calculated damage region for the 25.4-mm-radius plate agreed with limited static test results from the literature.

Optical coherence elastography in ophthalmology

NASA Astrophysics Data System (ADS)

Kirby, Mitchell A.; Pelivanov, Ivan; Song, Shaozhen; Ambrozinski, Łukasz; Yoon, Soon Joon; Gao, Liang; Li, David; Shen, Tueng T.; Wang, Ruikang K.; O'Donnell, Matthew

2017-12-01

Optical coherence elastography (OCE) can provide clinically valuable information based on local measurements of tissue stiffness. Improved light sources and scanning methods in optical coherence tomography (OCT) have led to rapid growth in systems for high-resolution, quantitative elastography using imaged displacements and strains within soft tissue to infer local mechanical properties. We describe in some detail the physical processes underlying tissue mechanical response based on static and dynamic displacement methods. Namely, the assumptions commonly used to interpret displacement and strain measurements in terms of tissue elasticity for static OCE and propagating wave modes in dynamic OCE are discussed with the ultimate focus on OCT system design for ophthalmic applications. Practical OCT motion-tracking methods used to map tissue elasticity are also presented to fully describe technical developments in OCE, particularly noting those focused on the anterior segment of the eye. Clinical issues and future directions are discussed in the hope that OCE techniques will rapidly move forward to translational studies and clinical applications.

The analysis of non-linear dynamic behavior (including snap-through) of postbuckled plates by simple analytical solution

NASA Technical Reports Server (NTRS)

Ng, C. F.

1988-01-01

Static postbuckling and nonlinear dynamic analysis of plates are usually accomplished by multimode analyses, although the methods are complicated and do not give straightforward understanding of the nonlinear behavior. Assuming single-mode transverse displacement, a simple formula is derived for the transverse load displacement relationship of a plate under in-plane compression. The formula is used to derive a simple analytical expression for the static postbuckling displacement and nonlinear dynamic responses of postbuckled plates under sinusoidal or random excitation. Regions with softening and hardening spring behavior are identified. Also, the highly nonlinear motion of snap-through and its effects on the overall dynamic response can be easily interpreted using the single-mode formula. Theoretical results are compared with experimental results obtained using a buckled aluminum panel, using discrete frequency and broadband point excitation. Some important effects of the snap-through motion on the dynamic response of the postbuckled plates are found.

Carbon Displacement-Induced Single Carbon Atomic Chain Formation and its Effects on Sliding of SiC Fibers in SiC/graphene/SiC Composite

DOE PAGES

Wallace, Joseph B.; Chen, Di; Shao, Lin

2015-11-03

Understanding radiation effects on the mechanical properties of SiC composites is important to their application in advanced reactor designs. By means of molecular dynamics simulations, we found that due to strong interface bonding between the graphene layers and SiC, the sliding friction of SiC fibers is largely determined by the frictional behavior between graphene layers. Upon sliding, carbon displacements between graphene layers can act as seed atoms to induce the formation of single carbon atomic chains (SCACs) by pulling carbon atoms from the neighboring graphene planes. The formation, growth, and breaking of SCACs determine the frictional response to irradiation.

The displacement effect of a fluorine atom in CaF2 on the band structure

NASA Astrophysics Data System (ADS)

Mir, A.; Zaoui, A.; Bensaid, D.

2018-05-01

We obtained the results for each configuration [100], [110] and [111] and each configuration contains two atoms of calcium and four fluorine atoms with lattice type B. This study was made by a code that is based on the DFT called wien2k. The results obtained are in good agreement with the experiment. For CaF2, an important variation of the fluoride ions concentration in CaF2 after displacement has been observed on the map of e-Density. The interpretation of the results is based on the existence of an important number of defects which are created by changing the atomic positions inside of sub lattice.

Geometric phase for a static two-level atom in cosmic string spacetime

NASA Astrophysics Data System (ADS)

Cai, Huabing; Ren, Zhongzhou

2018-05-01

We investigate the geometric phase of a static two-level atom immersed in a bath of fluctuating vacuum electromagnetic field in the background of a cosmic string. Our results indicate that due to the existence of the string, the geometric phase depends crucially on the position and the polarizability of the atom relative to the string. This can be ascribed to the fact that the presence of the string profoundly modify the distribution of electric field in Minkowski spacetime. So in principle, we can detect the cosmic string by experiments involving geometric phase.

Estimation of elastic moduli of graphene monolayer in lattice statics approach at nonzero temperature

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

Zubko, I. Yu., E-mail: zoubko@list.ru; Kochurov, V. I.

2015-10-27

For the aim of the crystal temperature control the computational-statistical approach to studying thermo-mechanical properties for finite sized crystals is presented. The approach is based on the combination of the high-performance computational techniques and statistical analysis of the crystal response on external thermo-mechanical actions for specimens with the statistically small amount of atoms (for instance, nanoparticles). The heat motion of atoms is imitated in the statics approach by including the independent degrees of freedom for atoms connected with their oscillations. We obtained that under heating, graphene material response is nonsymmetric.

Atomistic simulation of cubic and tetragonal phases of U-Mo alloy: Structure and thermodynamic properties

NASA Astrophysics Data System (ADS)

Starikov, S. V.; Kolotova, L. N.; Kuksin, A. Yu.; Smirnova, D. E.; Tseplyaev, V. I.

2018-02-01

We studied structure and thermodynamic properties of cubic and tetragonal phases of pure uranium and U-Mo alloys using atomistic simulations: molecular dynamics and density functional theory. The main attention was paid to the metastable γ0 -phase that is formed in U-Mo alloys at low temperature. Structure of γ0 -phase is similar to body-centered tetragonal (bct) lattice with displacement of a central atom in the basic cell along [ 001 ] direction. Such displacements have opposite orientations for part of the neighbouring basic cells. In this case, such ordering of the displacements can be designated as antiferro-displacement. Formation of such complex structure may be interpreted through forming of short U-U bonds. At heating, the tetragonal structure transforms into cubic γs -phase, still showing ordering of central atom displacements. With rise in temperature, γs -phase transforms to γ-phase with a quasi body-centered cubic (q-bcc) lattice. The local positions of uranium atoms in γ-phase correspond to γs -phase, however, orientations of the central atom displacements become disordered. Transition from γ0 to γ can be considered as antiferro-to paraelastic transition of order-disorder type. This approach to the structure description of uranium alloy allows to explain a number of unusual features found in the experiments: anisotropy of lattice at low temperature; remarkably high self-diffusion mobility in γ-phase; decreasing of electrical resistivity at heating for some alloys. In addition, important part of this work is the development of new interatomic potential for U-Mo system made with taking into account details of studied structures.

Displacement measurement with nanoscale resolution using a coded micro-mark and digital image correlation

NASA Astrophysics Data System (ADS)

Huang, Wei; Ma, Chengfu; Chen, Yuhang

2014-12-01

A method for simple and reliable displacement measurement with nanoscale resolution is proposed. The measurement is realized by combining a common optical microscopy imaging of a specially coded nonperiodic microstructure, namely two-dimensional zero-reference mark (2-D ZRM), and subsequent correlation analysis of the obtained image sequence. The autocorrelation peak contrast of the ZRM code is maximized with well-developed artificial intelligence algorithms, which enables robust and accurate displacement determination. To improve the resolution, subpixel image correlation analysis is employed. Finally, we experimentally demonstrate the quasi-static and dynamic displacement characterization ability of a micro 2-D ZRM.

Thermal vibrations and polymorphic β → γ transition in cerium

NASA Astrophysics Data System (ADS)

Agafonov, S. S.; Blanter, M. S.; Glazkov, V. P.; Somenkov, V. A.; Shushunov, M. N.

2010-10-01

Method of neutron diffraction was used to determine the temperature dependence of the Debye-Waller factor and the related thermal atomic displacements for two polymorphic modifications of cerium, namely, for β-Ce with a double hexagonal closed-packed (dhcp) structure and for γ-Ce with a face-centered cubic (fcc) structure. It has been shown that the phase transition does not lead to substantial changes in the root-mean-square thermal atomic displacements and that the Debye temperatures of the two modifications are close: 131 K for β-Ce and 127 K for γ-Ce. However, the relative (with respect to the lattice parameters) displacements along the axes change considerably. The transition from the anisotropic hexagonal to the isotropic cubic modification leads, because of a redistribution of thermal atomic displacements along the crystallographic axes, to a decrease in the maximum values of these quantities and to a weakening of their temperature dependence. It has also been shown that a change in the thermal atomic vibrations and in the vibrational contribution to the entropy of the polymorphic transformations is connected with the sign of the volume effect of the transformation (stronger upon a positive effect and weaker, upon a negative one). The reasons for this behavior are discussed.

Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries

USGS Publications Warehouse

Hughes, J.M.; Bloodaxe, E.S.; Hanchar, J.M.; Foord, E.E.

1997-01-01

The atomic arrangement of a natural rare-earth-rich titanite and two synthetic rare-earth-doped titanites have been refined in space group A2/a, and the atomic arrangement of an undoped P21/a synthetic titanite was also refined for comparison. Previous work has shown that titanite possesses a domain structure, with domains formed of like-displaced Ti atoms in the [100] octahedral chains. P21/a titanite results when the crystal is formed of a single domain, but as Ti-reversal sites occur in the octahedral chain the apparent A2/a structure results from the average of antiphase domains. Antiphase boundaries occur at O1, which is alternately overbonded or underbonded at the boundaries, depending on the displacement of the neighboring Ti atoms. Type 2 antiphase boundaries exist where two Ti atoms are displaced away from the intervening O1 atom and are energetically unfavorable because of underbonding of that O1 atom. However, substitution of a trivalent rare earth element in the adjacent Ca2+ site relieves that underbonding, favoring the creation of type 2 antiphase boundaries and stabilization of the A2/a dimorph. The results of high-precision crystal structure analyses demonstrate that rare earth substituents for Ca stabilize the A2/a dimorph at lower substitution levels than required for octahedral substitutions.

Quantitation of Fine Displacement in Echography

NASA Astrophysics Data System (ADS)

Masuda, Kohji; Ishihara, Ken; Yoshii, Ken; Furukawa, Toshiyuki; Kumagai, Sadatoshi; Maeda, Hajime; Kodama, Shinzo

1993-05-01

A High-speed Digital Subtraction Echography was developed to visualize the fine displacement of human internal organs. This method indicates differences in position through time series images of high-frame-rate echography. Fine displacement less than ultrasonic wavelength can be observed. This method, however, lacks the ability to quantitatively measure displacement length. The subtraction between two successive images was affected by displacement direction in spite of the displacement length being the same. To solve this problem, convolution of an echogram with Gaussian distribution was used. To express displacement length as brightness quantitatively, normalization using a brightness gradient was applied. The quantitation algorithm was applied to successive B-mode images. Compared to the simply subtracted images, quantitated images express more precisely the motion of organs. Expansion of the carotid artery and fine motion of ventricular walls can be visualized more easily. Displacement length can be quantitated with wavelength. Under more static conditions, this system quantitates displacement length that is much less than wavelength.

Static/dynamic trade-off performance of PZT thick film micro-actuators

NASA Astrophysics Data System (ADS)

Bienaimé, Alex; Chalvet, Vincent; Clévy, Cédric; Gauthier-Manuel, Ludovic; Baron, Thomas; Rakotondrabe, Micky

2015-07-01

Piezoelectric actuators are widespread in the design of micro/nanorobotic tools and microsystems. Studies toward the integration of such actuators in complex micromechatronic systems require the size reduction of these actuators while retaining a wide range of performance. Two main fabrication processes are currently used for the fabrication of piezoelectric actuators, providing very different behaviors: (i) the use of a bulk lead zirconate titanate (PZT) layer and (ii) the use of thin film growth. In this paper, we propose a trade-off between these two extreme processes and technologies in order to explore the performance of new actuators. This resulted in the design and fabrication of thick film PZT unimorph cantilevers. They allowed a high level of performance, both in the static (displacement) and dynamic (first resonance frequency) regimes, in addition to being small in size. Such cantilever sizes are obtained through the wafer scale bonding and thinning of a PZT plate onto a silicon on insulator wafer. The piezoelectric cantilevers have a 26 μm thick PZT layer with a 5 μm thick silicon layer, over a length of 4 mm and a width of 150 μm. Experimental characterization has shown that the static displacements obtained are in excess of 4.8 μm V-1 and the resonance frequencies are up to 1103 Hz, which are useful for large displacements and low voltage actuators.

Monitoring of Volcanic Activity by Sub-mm Geodetic Analyses

NASA Astrophysics Data System (ADS)

Miura, S.; Mare, Y.; Ichiki, M.; Demachi, T.; Tachibana, K.; Nishimura, T.

2017-12-01

Volcanic earthquakes have been occurring beneath Zao volcano in northern Honshu, Japan since 2013, following the increase of deep low frequency earthquakes from 2012. On account of a burst of seismicity initiated in April 2015, the JMA announced a warning of eruption, however, the seismicity gradually decreased for the next two months and the warning was canceled in June. In the same time period, minor expansive deformation was observed by GNSS. Small earthquakes are still occurring, and low-freq. earthquakes (LPE) occur sometimes accompanied by static tilt changes. In this study, we try to extract the sub-mm displacements from the LPE waveforms observed by broadband seismometers (BBS) and utilize them for geodetic inversion to monitor volcanic activities. Thun et al. (2015, 2016) devised an efficient method using a running median filter (RMF) to remove LP noises, which contaminate displacement waveforms. They demonstrated the reproducibility of the waveforms corresponding to the experimentally given sub-mm displacements in the laboratory. They also apply the method to the field LPE data obtained from several volcanoes to show static displacements. The procedure is outlined as follows: (1) Unfiltered removal of the instrument response, (2) LP noise estimate by LPF with a corner frequency of 5/M, where M (seconds) is the time window of the RMF and should be at least three times the length of the rise time. (3) Subtract the noise estimated from step (2). (4) Integrate to obtain displacement waveforms. We apply the method to the BBS waveform at a distance of about 1.5 km ESE from the summit crater of Zao Volcano associated with a LPE on April 1, 2017. Assuming the time window M as 300 seconds, we successfully obtained the displacement history: taking the rise time of about 2 minutes, the site was gradually uplifted with the amount of about 50-60 µm and then subsided with HF displacements in the next 2 minutes resulting about 20-30 µm static upheaval. Comparing the waveforms obtained by the RMF and the conventional methods, the onset of the upheaval is delayed a little in the former one, while the latter one is consistent with the inclination change observed by the tiltmeter installed at the same site. It may be caused by the characteristics of the RMF and attention should be paid to detailed discussions of the source time histories.

From deep TLS validation to ensembles of atomic models built from elemental motions. II. Analysis of TLS refinement results by explicit interpretation

DOE PAGES

Afonine, Pavel V.; Adams, Paul D.; Urzhumtsev, Alexandre

2018-06-08

TLS modelling was developed by Schomaker and Trueblood to describe atomic displacement parameters through concerted (rigid-body) harmonic motions of an atomic group [Schomaker & Trueblood (1968), Acta Cryst. B 24 , 63–76]. The results of a TLS refinement are T , L and S matrices that provide individual anisotropic atomic displacement parameters (ADPs) for all atoms belonging to the group. These ADPs can be calculated analytically using a formula that relates the elements of the TLS matrices to atomic parameters. Alternatively, ADPs can be obtained numerically from the parameters of concerted atomic motions corresponding to the TLS matrices. Both proceduresmore » are expected to produce the same ADP values and therefore can be used to assess the results of TLS refinement. Here, the implementation of this approach in PHENIX is described and several illustrations, including the use of all models from the PDB that have been subjected to TLS refinement, are provided.« less

Quantification of evaporation induced error in atom probe tomography using molecular dynamics simulation.

PubMed

Chen, Shu Jian; Yao, Xupei; Zheng, Changxi; Duan, Wen Hui

2017-11-01

Non-equilibrium molecular dynamics was used to simulate the dynamics of atoms at the atom probe surface and five objective functions were used to quantify errors. The results suggested that before ionization, thermal vibration and collision caused the atoms to displace up to 1Å and 25Å respectively. The average atom displacements were found to vary between 0.2 and 0.5Å. About 9 to 17% of the atoms were affected by collision. Due to the effects of collision and ion-ion repulsion, the back-calculated positions were on average 0.3-0.5Å different from the pre-ionized positions of the atoms when the number of ions generated per pulse was minimal. This difference could increase up to 8-10Å when 1.5ion/nm 2 were evaporated per pulse. On the basis of the results, surface ion density was considered an important factor that needed to be controlled to minimize error in the evaporation process. Copyright © 2017. Published by Elsevier B.V.

Simulation of Rutherford backscattering spectrometry from arbitrary atom structures.

PubMed

Zhang, S; Nordlund, K; Djurabekova, F; Zhang, Y; Velisa, G; Wang, T S

2016-10-01

Rutherford backscattering spectrometry in a channeling direction (RBS/C) is a powerful tool for analysis of the fraction of atoms displaced from their lattice positions. However, it is in many cases not straightforward to analyze what is the actual defect structure underlying the RBS/C signal. To reveal insights of RBS/C signals from arbitrarily complex defective atomic structures, we develop here a method for simulating the RBS/C spectrum from a set of arbitrary read-in atom coordinates (obtained, e.g., from molecular dynamics simulations). We apply the developed method to simulate the RBS/C signals from Ni crystal structures containing randomly displaced atoms, Frenkel point defects, and extended defects, respectively. The RBS/C simulations show that, even for the same number of atoms in defects, the RBS/C signal is much stronger for the extended defects. Comparison with experimental results shows that the disorder profile obtained from RBS/C signals in ion-irradiated Ni is due to a small fraction of extended defects rather than a large number of individual random atoms.

From deep TLS validation to ensembles of atomic models built from elemental motions. II. Analysis of TLS refinement results by explicit interpretation

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

Afonine, Pavel V.; Adams, Paul D.; Urzhumtsev, Alexandre

TLS modelling was developed by Schomaker and Trueblood to describe atomic displacement parameters through concerted (rigid-body) harmonic motions of an atomic group [Schomaker & Trueblood (1968), Acta Cryst. B 24 , 63–76]. The results of a TLS refinement are T , L and S matrices that provide individual anisotropic atomic displacement parameters (ADPs) for all atoms belonging to the group. These ADPs can be calculated analytically using a formula that relates the elements of the TLS matrices to atomic parameters. Alternatively, ADPs can be obtained numerically from the parameters of concerted atomic motions corresponding to the TLS matrices. Both proceduresmore » are expected to produce the same ADP values and therefore can be used to assess the results of TLS refinement. Here, the implementation of this approach in PHENIX is described and several illustrations, including the use of all models from the PDB that have been subjected to TLS refinement, are provided.« less

Simulation of Rutherford backscattering spectrometry from arbitrary atom structures

NASA Astrophysics Data System (ADS)

Zhang, S.; Nordlund, K.; Djurabekova, F.; Zhang, Y.; Velisa, G.; Wang, T. S.

2016-10-01

Rutherford backscattering spectrometry in a channeling direction (RBS/C) is a powerful tool for analysis of the fraction of atoms displaced from their lattice positions. However, it is in many cases not straightforward to analyze what is the actual defect structure underlying the RBS/C signal. To reveal insights of RBS/C signals from arbitrarily complex defective atomic structures, we develop here a method for simulating the RBS/C spectrum from a set of arbitrary read-in atom coordinates (obtained, e.g., from molecular dynamics simulations). We apply the developed method to simulate the RBS/C signals from Ni crystal structures containing randomly displaced atoms, Frenkel point defects, and extended defects, respectively. The RBS/C simulations show that, even for the same number of atoms in defects, the RBS/C signal is much stronger for the extended defects. Comparison with experimental results shows that the disorder profile obtained from RBS/C signals in ion-irradiated Ni is due to a small fraction of extended defects rather than a large number of individual random atoms.

Effect of geometry on deformation of anterior implant-supported zirconia frameworks: An in vitro study using digital image correlation.

PubMed

Calha, Nuno; Messias, Ana; Guerra, Fernando; Martinho, Beatriz; Neto, Maria Augusta; Nicolau, Pedro

2017-04-01

To evaluate the effect of geometry on the displacement and the strain distribution of anterior implant-supported zirconia frameworks under static load using the 3D digital image correlation method. Two groups (n=5) of 4-unit zirconia frameworks were produced by CAD/CAM for the implant-abutment assembly. Group 1 comprised five straight configuration frameworks and group 2 consisted of five curved configuration frameworks. Specimens were cemented and submitted to static load up to 200N. Displacements were captured with two high-speed photographic cameras and analyzed with video correlation system in three spacial axes U, V, W. Statistical analysis was made using the nonparametric Mann-Whitney test. Up to 150N loads, the vertical displacements (V axis) were statistically higher for curved frameworks (-267.83±23.76μm), when compared to the straight frameworks (-120.73±36.17μm) (p=0.008), as well as anterior displacements in the W transformed axis (589.55±64.51μm vs 224.29±50.38μm for the curved and straight frameworks), respectively (p=0.008). The mean von Mises strains over the surface frameworks were statistically higher for the curved frameworks under any load. Within the limitations of this in vitro study, it is possible to conclude that the geometric configuration influences the deformation of 4-unit anterior frameworks under static load. The higher strain distribution and micro-movements of the curved frameworks reflect less rigidity and increased risk of fractures associated to FPDs. Copyright © 2016 Japan Prosthodontic Society. Published by Elsevier Ltd. All rights reserved.

In-vivo evaluation of the kinematic behavior of an artificial medial meniscus implant: A pilot study using open-MRI.

PubMed

De Coninck, Tineke; Elsner, Jonathan J; Linder-Ganz, Eran; Cromheecke, Michiel; Shemesh, Maoz; Huysse, Wouter; Verdonk, René; Verstraete, Koenraad; Verdonk, Peter

2014-09-01

In this pilot study we wanted to evaluate the kinematics of a knee implanted with an artificial polycarbonate-urethane meniscus device, designed for medial meniscus replacement. The static kinematic behavior of the implant was compared to the natural medial meniscus of the non-operated knee. A second goal was to evaluate the motion pattern, the radial displacement and the deformation of the meniscal implant. Three patients with a polycarbonate-urethane implant were included in this prospective study. An open-MRI was used to track the location of the implant during static weight-bearing conditions, within a range of motion of 0° to 120° knee flexion. Knee kinematics were evaluated by measuring the tibiofemoral contact points and femoral roll-back. Meniscus measurements (both natural and artificial) included anterior-posterior meniscal movement, radial displacement, and meniscal height. No difference (P>0.05) was demonstrated in femoral roll-back and tibiofemoral contact points during knee flexion between the implanted and the non-operated knees. Meniscal measurements showed no significant difference in radial displacement and meniscal height (P>0.05) at all flexion angles, in both the implanted and non-operated knees. A significant difference (P ≤ 0.05) in anterior-posterior movement during flexion was observed between the two groups. In this pilot study, the artificial polycarbonate-urethane implant, indicated for medial meniscus replacement, had no influence on femoral roll-back and tibiofemoral contact points, thus suggesting that the joint maintains its static kinematic properties after implantation. Radial displacement and meniscal height were not different, but anterior-posterior movement was slightly different between the implant and the normal meniscus. Copyright © 2014 Elsevier Ltd. All rights reserved.

Numerical and Experimental Dynamic Characteristics of Thin-Film Membranes

NASA Technical Reports Server (NTRS)

Young, Leyland G.; Ramanathan, Suresh; Hu, Jia-Zhu; Pai, P. Frank

2004-01-01

Presented is a total-Lagrangian displacement-based non-linear finite-element model of thin-film membranes for static and dynamic large-displacement analyses. The membrane theory fully accounts for geometric non-linearities. Fully non-linear static analysis followed by linear modal analysis is performed for an inflated circular cylindrical Kapton membrane tube under different pressures, and for a rectangular membrane under different tension loads at four comers. Finite element results show that shell modes dominate the dynamics of the inflated tube when the inflation pressure is low, and that vibration modes localized along four edges dominate the dynamics of the rectangular membrane. Numerical dynamic characteristics of the two membrane structures were experimentally verified using a Polytec PI PSV-200 scanning laser vibrometer and an EAGLE-500 8-camera motion analysis system.

[Three-dimensional finite element stress distribution and displacement analysis of alveolar ridge retained by conical telescope].

PubMed

Lin, Ying-he; Man, Yi; Liang, Xing; Qu, Yi-li; Lu, Xuan

2004-11-01

To study the stress distribution and displacement of edentulous alveolar ridge of removable partial denture which is retained by using conical telescope. An ideal three dimensional finite element model was constructed by using SCT image reconstruction technique, self-programming and ANSYS software. The static load was applied. The stress and displacement characteristics of these different types of materials which form the metal part of the conical telescope were compared and analyzed. Generally, the four materials produced almost the same stress and displacement at the site of the edentulous alveolar ridge. From the viewpoint of dynamics, the application of different materials in making the metal part of conical telescope is feasible.

Flexible 2D Crystals of Polycyclic Aromatics Stabilized by Static Distortion Waves.

PubMed

Meissner, Matthias; Sojka, Falko; Matthes, Lars; Bechstedt, Friedhelm; Feng, Xinliang; Müllen, Klaus; Mannsfeld, Stefan C B; Forker, Roman; Fritz, Torsten

2016-07-26

The epitaxy of many organic films on inorganic substrates can be classified within the framework of rigid lattices which helps to understand the origin of energy gain driving the epitaxy of the films. Yet, there are adsorbate-substrate combinations with distinct mutual orientations for which this classification fails and epitaxy cannot be explained within a rigid lattice concept. It has been proposed that tiny shifts in atomic positions away from ideal lattice points, so-called static distortion waves (SDWs), are responsible for the observed orientational epitaxy in such cases. Using low-energy electron diffraction and scanning tunneling microscopy, we provide direct experimental evidence for SDWs in organic adsorbate films, namely hexa-peri-hexabenzocoronene on graphite. They manifest as wave-like sub-Ångström molecular displacements away from an ideal adsorbate lattice which is incommensurate with graphite. By means of a density-functional-theory based model, we show that, due to the flexibility in the adsorbate layer, molecule-substrate energy is gained by straining the intermolecular bonds and that the resulting total energy is minimal for the observed domain orientation, constituting the orientational epitaxy. While structural relaxation at an interface is a common assumption, the combination of the precise determination of the incommensurate epitaxial relation, the direct observation of SDWs in real space, and their identification as the sole source of epitaxial energy gain constitutes a comprehensive proof of this effect.

Flexible 2D Crystals of Polycyclic Aromatics Stabilized by Static Distortion Waves

PubMed Central

2016-01-01

The epitaxy of many organic films on inorganic substrates can be classified within the framework of rigid lattices which helps to understand the origin of energy gain driving the epitaxy of the films. Yet, there are adsorbate–substrate combinations with distinct mutual orientations for which this classification fails and epitaxy cannot be explained within a rigid lattice concept. It has been proposed that tiny shifts in atomic positions away from ideal lattice points, so-called static distortion waves (SDWs), are responsible for the observed orientational epitaxy in such cases. Using low-energy electron diffraction and scanning tunneling microscopy, we provide direct experimental evidence for SDWs in organic adsorbate films, namely hexa-peri-hexabenzocoronene on graphite. They manifest as wave-like sub-Ångström molecular displacements away from an ideal adsorbate lattice which is incommensurate with graphite. By means of a density-functional-theory based model, we show that, due to the flexibility in the adsorbate layer, molecule–substrate energy is gained by straining the intermolecular bonds and that the resulting total energy is minimal for the observed domain orientation, constituting the orientational epitaxy. While structural relaxation at an interface is a common assumption, the combination of the precise determination of the incommensurate epitaxial relation, the direct observation of SDWs in real space, and their identification as the sole source of epitaxial energy gain constitutes a comprehensive proof of this effect. PMID:27014920

Features of structural response of mechanically loaded crystallites to irradiation

NASA Astrophysics Data System (ADS)

Korchuganov, Aleksandr V.

2015-10-01

A molecular dynamics method is employed to investigate the origin and evolution of plastic deformation in elastically deformed iron and vanadium crystallites due to atomic displacement cascades. Elastic stress states of crystallites result from different degrees of specimen deformation. Crystallites are deformed under constant-volume conditions. Atomic displacement cascades with the primary knock-on atom energy up to 50 keV are generated in loaded specimens. It is shown that irradiation may cause not only the Frenkel pair formation but also large-scale structural rearrangements outside the irradiated area, which prove to be similar to rearrangements proceeding by the twinning mechanism in mechanically loaded specimens.

Impact of thermal atomic displacements on the Curie temperature of 3 d transition metals

NASA Astrophysics Data System (ADS)

Ruban, A. V.; Peil, O. E.

2018-05-01

It is demonstrated that thermally induced atomic displacements from ideal lattice positions can produce considerable effect on magnetic exchange interactions and, consequently, on the Curie temperature of Fe. Thermal lattice distortion should, therefore, be accounted for in quantitatively accurate theoretical modeling of the magnetic phase transition. At the same time, this effect seems to be not very important for magnetic exchange interactions and the Curie temperature of Co and Ni.

Simulation of Phonon Spectra in Three-Component Two-Dimensional Crystals of Refractory-Metal Dichalcogenides

NASA Astrophysics Data System (ADS)

Alexeev, A. Yu.; Krivosheeva, A. V.; Shaposhnikov, V. L.; Borisenko, V. E.

2017-09-01

A model for ab initio calculation of the phonon properties of three-component solid solutions of refractory-metal dichalcogenides was developed based on the assumption that displacements of the same type of chalcogen atoms and decoupled displacements of the metal atoms were identical. The calculated phonon frequencies at the Γ-point for monomolecular layers of MoS2-xSex and MoS2-xTex agreed with existing experimental Raman spectra.

Effect of initial strain and material nonlinearity on the nonlinear static and dynamic response of graphene sheets

NASA Astrophysics Data System (ADS)

Singh, Sandeep; Patel, B. P.

2018-06-01

Computationally efficient multiscale modelling based on Cauchy-Born rule in conjunction with finite element method is employed to study static and dynamic characteristics of graphene sheets, with/without considering initial strain, involving Green-Lagrange geometric and material nonlinearities. The strain energy density function at continuum level is established by coupling the deformation at continuum level to that at atomic level through Cauchy-Born rule. The atomic interactions between carbon atoms are modelled through Tersoff-Brenner potential. The governing equation of motion obtained using Hamilton's principle is solved through standard Newton-Raphson method for nonlinear static response and Newmark's time integration technique to obtain nonlinear transient response characteristics. Effect of initial strain on the linear free vibration frequencies, nonlinear static and dynamic response characteristics is investigated in detail. The present multiscale modelling based results are found to be in good agreement with those obtained through molecular mechanics simulation. Two different types of boundary constraints generally used in MM simulation are explored in detail and few interesting findings are brought out. The effect of initial strain is found to be greater in linear response when compared to that in nonlinear response.

Stability of nonuniform rotor blades in hover using a mixed formulation

NASA Technical Reports Server (NTRS)

Stephens, W. B.; Hodges, D. H.; Avila, J. H.; Kung, R. M.

1980-01-01

A mixed formulation for calculating static equilibrium and stability eigenvalues of nonuniform rotor blades in hover is presented. The static equilibrium equations are nonlinear and are solved by an accurate and efficient collocation method. The linearized perturbation equations are solved by a one step, second order integration scheme. The numerical results correlate very well with published results from a nearly identical stability analysis based on a displacement formulation. Slight differences in the results are traced to terms in the equations that relate moments to derivatives of rotations. With the present ordering scheme, in which terms of the order of squares of rotations are neglected with respect to unity, it is not possible to achieve completely equivalent models based on mixed and displacement formulations. The one step methods reveal that a second order Taylor expansion is necessary to achieve good convergence for nonuniform rotating blades. Numerical results for a hypothetical nonuniform blade, including the nonlinear static equilibrium solution, were obtained with no more effort or computer time than that required for a uniform blade.

Static non-reciprocity in mechanical metamaterials.

PubMed

Coulais, Corentin; Sounas, Dimitrios; Alù, Andrea

2017-02-23

Reciprocity is a general, fundamental principle governing various physical systems, which ensures that the transfer function-the transmission of a physical quantity, say light intensity-between any two points in space is identical, regardless of geometrical or material asymmetries. Breaking this transmission symmetry offers enhanced control over signal transport, isolation and source protection. So far, devices that break reciprocity (and therefore show non-reciprocity) have been mostly considered in dynamic systems involving electromagnetic, acoustic and mechanical wave propagation associated with fields varying in space and time. Here we show that it is possible to break reciprocity in static systems, realizing mechanical metamaterials that exhibit vastly different output displacements under excitation from different sides, as well as one-way displacement amplification. This is achieved by combining large nonlinearities with suitable geometrical asymmetries and/or topological features. In addition to extending non-reciprocity and isolation to statics, our work sheds light on energy propagation in nonlinear materials with asymmetric crystalline structures and topological properties. We anticipate that breaking reciprocity will open avenues for energy absorption, conversion and harvesting, soft robotics, prosthetics and optomechanics.

A new method for testing pile by single-impact energy and P-S curve

NASA Astrophysics Data System (ADS)

Xu, Zhao-Yong; Duan, Yong-Kang; Wang, Bin; Hu, Yi-Li; Yang, Run-Hai; Xu, Jun; Zhao, Jin-Ming

2004-11-01

By studying the pile-formula and stress-wave methods ( e.g., CASE method), the authors propose a new method for testing piles using the single-impact energy and P-S curves. The vibration and wave figures are recorded, and the dynamic and static displacements are measured by different transducers near the top of piles when the pile is impacted by a heavy hammer or micro-rocket. By observing the transformation coefficient of driving energy (total energy), the consumed energy of wave motion and vibration and so on, the vertical bearing capacity for single pile is measured and calculated. Then, using the vibration wave diagram, the dynamic relation curves between the force ( P) and the displacement ( S) is calculated and the yield points are determined. Using the static-loading test, the dynamic results are checked and the relative constants of dynamic-static P-S curves are determined. Then the subsidence quantity corresponding to the bearing capacity is determined. Moreover, the shaped quality of the pile body can be judged from the formation of P-S curves.

A Comparative Study of the Effects of Pilates and Latin Dance on Static and Dynamic Balance in Older Adults.

PubMed

Sofianidis, George; Dimitriou, Anna-Maria; Hatzitaki, Vassilia

2017-07-01

The present study was designed to compare the effectiveness of exercise programs with Pilates and Latin dance on older adults' static and dynamic balance. Thirty-two older adults were divided into three groups: Pilates group, Dance group, and Control group. Static and dynamic balance was assessed with following tasks: (a) tandem stance, (b) one-leg stance, and (c) periodic sway with and without metronome guidance. Analysis revealed a significant reduction of the trunk sway amplitude during the tandem stance with eyes closed, reduction in the center of pressure (CoP) displacement during one-leg stance, and increase in the amplitude of trunk oscillation during the sway task for both intervention groups, and reduction in the standard deviation of the CoP displacement during the metronome paced task only for the dance group. The differences in specific balance indices between the two programs suggest some specific adaptations that may provide useful knowledge for the selection of exercises that are better tailored to the needs of the old adult.

A new method of testing pile using dynamic P-S-curve made by amplitude of wave train

NASA Astrophysics Data System (ADS)

Hu, Yi-Li; Xu, Jun; Duan, Yong-Kong; Xu, Zhao-Yong; Yang, Run-Hai; Zhao, Jin-Ming

2004-11-01

A new method of detecting the vertical bearing capacity for single-pile with high strain is discussed in this paper. A heavy hammer or a small type of rocket is used to strike the pile top and the detectors are used to record vibration graphs. An expression of higher degree of strain (deformation force) is introduced. It is testified theoretically that the displacement, velocity and acceleration cannot be obtained by simple integral acceleration and differential velocity when long displacement and high strain exist, namely when the pile phase generates a whole slip relative to the soil body. That is to say that there are non-linear relations between them. It is educed accordingly that the force P and displacement S are calculated from the amplitude of wave train and (dynamic) P-S curve is drew so as to determine the yield points. Further, a method of determining the vertical bearing capacity for single-pile is discussed. A static load test is utilized to check the result of dynamic test and determine the correlative constants of dynamic-static P( Q)- S curve.

Graphic kinematics, visual virtual work and elastographics

PubMed Central

Konstantatou, Marina; Athanasopoulos, Georgios; Hannigan, Laura

2017-01-01

In this paper, recent progress in graphic statics is combined with Williot displacement diagrams to create a graphical description of both statics and kinematics for two- and three-dimensional pin-jointed trusses. We begin with reciprocal form and force diagrams. The force diagram is dissected into its component cells which are then translated relative to each other. This defines a displacement diagram which is topologically equivalent to the form diagram (the structure). The various contributions to the overall Virtual Work appear as parallelograms (for two-dimensional trusses) or parallelopipeds (for three-dimensional trusses) that separate the force and the displacement pieces. Structural mechanisms can be identified by translating the force cells such that their shared faces slide across each other without separating. Elastic solutions can be obtained by choosing parallelograms or parallelopipeds of the appropriate aspect ratio. Finally, a new type of ‘elastographic’ diagram—termed a deformed Maxwell–Williot diagram (two-dimensional) or a deformed Rankine–Williot diagram (three-dimensional)—is presented which combines the deflected structure with the forces carried by its members. PMID:28573030

A translation micromirror with large quasi-static displacement and high surface quality

NASA Astrophysics Data System (ADS)

Xue, Yuan; He, Siyuan

2017-01-01

A large displacement with high surface quality translation micromirror is presented. The micromirror consists of a magnetic actuator and a mirror plate. The actuator and the mirror plate are fabricated separately using two processes and then bonded together. The actuator consists of a moving film which is a 20 µm thick nickel film fabricated by MetalMUMPs and a solenoid located underneath the moving film. The moving film is designed to curve up through the residual stress gradient in the nickel film and a curve-up mechanism which includes four trapezoidal plates and anchoring springs. The mirror plate is simply diced from a polished silicon wafer and coated with a metal thin film. The mirror plate is bonded onto the central ring of the moving film. A solenoid attracts the moving film along with the mirror plate downwards to realize translation. A quasi-static displacement of 123 µm is achieved at a driving current of 400 mA. A high mirror surface quality is realized, e.g. 15.6 m of curvature radius and 2 nm surface roughness.

Measuring relative-story displacement and local inclination angle using multiple position-sensitive detectors.

PubMed

Matsuya, Iwao; Katamura, Ryuta; Sato, Maya; Iba, Miroku; Kondo, Hideaki; Kanekawa, Kiyoshi; Takahashi, Motoichi; Hatada, Tomohiko; Nitta, Yoshihiro; Tanii, Takashi; Shoji, Shuichi; Nishitani, Akira; Ohdomari, Iwao

2010-01-01

We propose a novel sensor system for monitoring the structural health of a building. The system optically measures the relative-story displacement during earthquakes for detecting any deformations of building elements. The sensor unit is composed of three position sensitive detectors (PSDs) and lenses capable of measuring the relative-story displacement precisely, even if the PSD unit was inclined in response to the seismic vibration. For verification, laboratory tests were carried out using an Xθ-stage and a shaking table. The static experiment verified that the sensor could measure the local inclination angle as well as the lateral displacement. The dynamic experiment revealed that the accuracy of the sensor was 150 μm in the relative-displacement measurement and 100 μrad in the inclination angle measurement. These results indicate that the proposed sensor system has sufficient accuracy for the measurement of relative-story displacement in response to the seismic vibration.

Eddy current gauge for monitoring displacement using printed circuit coil

DOEpatents

Visioli, Jr., Armando J.

1977-01-01

A proximity detection system for non-contact displacement and proximity measurement of static or dynamic metallic or conductive surfaces is provided wherein the measurement is obtained by monitoring the change in impedance of a flat, generally spiral-wound, printed circuit coil which is excited by a constant current, constant frequency source. The change in impedance, which is detected as a corresponding change in voltage across the coil, is related to the eddy current losses in the distant conductive material target. The arrangement provides for considerable linear displacement range with increased accuracies, stability, and sensitivity over the entire range.

Comparative transduction mechanisms of hair cells in the bullfrog uticulus. 2: Sensitivity and response dynamics to hair bundle displacement

NASA Technical Reports Server (NTRS)

Baird, Richard A.

1994-01-01

The present study was motivated by an interest in seeing whether hair cell types in the bullfrog utriculus might differ in their voltage responses to hair bundle displacement. Particular interest was in assessing the contributions of two factors to the responses of utricular hair cells. First, interest in examining the effect of hair bundle morphology on the sensitivity of hair cells to natural stimulation was motivated by the observation that vestibular hair cells, unlike many auditory hair cells, are not free-standing but rather linked to an accessory cupular or otolithic membrane via the tip of their kinocilium. Interest also laid in examining the contribution, if any, of adaptation to the response properties of utricular hair cells. Hair cells in auditory and vibratory inner ear endorgans adapt to maintained displacements of their hair bundles, sharply limiting their low frequency sensitivity. This adaptation is mediated by a shift in the displacement-response curve (DRC) of the hair cell along the displacement axis. Observations suggest that the adaptation process occurs within the hair bundle and precedes mechanoelectric transduction. Recent observations of time-dependent changes in hair bundle stiffness are consistent with this conclusion. Adaptation would be expected to be most useful in inner ear endorgans in which hair cells are subject to large static displacements that could potentially saturate their instantaneous response and compromise their sensitivity to high frequency stimulation. The adaptation process also permits hair cells to maintain their sensory hair bundle in the most sensitive portion of their DRC. In vestibular otolith organs in which static sensitivity is desirable, any adaptation process in the hair cells may be undesirable. The rate and extent of the decline of the voltage responses was measured of utricular hair cells to step and sinusoidal hair bundle displacements. Then for similar resting potentials and response amplitudes, the voltage responses of individual hair cells were compared to both hair bundle displacement and intracellular current.

Ground effect for V/STOL aircraft configurations and its simulation in the wind tunnel. Part 1: Introduction and theoretical studies

NASA Technical Reports Server (NTRS)

Hackett, J. E.; Praytor, E. B.

1972-01-01

Theoretical studies are made of three dimensional turbulent boundary layer behavior on fixed grounds and on moving grounds of the type used in wind tunnel tests. It is shown that, for several widely-varying STOL configurations, the ground static pressure distributions possess a remarkable degree of fore-aft symmetry about the center of lift. At low Renolds number, corresponding to small-tunnel testing, the boundary layer displacement surface reflects to a large degree the symmetry of the pressure distribution. For this reason, induced incidence at the model is small for unseparated ground flow. At high Reynolds number, the displacement thickness decrease aft of the static pressure maximum is noticeably more rapid than the corresponding rise. This is attributed to trailing-vortex-induced spanwise pumping within the boundary layer.

Dynamic Structure of a Molecular Liquid S0.5Cl0.5: Ab initio Molecular-Dynamics Simulations

NASA Astrophysics Data System (ADS)

Ohmura, Satoshi; Shimakura, Hironori; Kawakita, Yukinobu; Shimojo, Fuyuki; Yao, Makoto

2013-07-01

The static and dynamic structures of a molecular liquid S0.5Cl0.5 consisting of Cl--S--S--Cl (S2Cl2) type molecules are studied by means of ab initio molecular dynamics simulations. Both the calculated static and dynamic structure factors are in good agreement with experimental results. The dynamic structures are discussed based on van-Hove distinct correlation functions, molecular translational mean-square displacements (TMSD) and rotational mean-square displacements (RMSD). In the TMSD and RMSD, there are ballistic and diffusive regimes in the sub-picosecond and picosecond time regions, respectively. These time scales are consistent with the decay time observed experimentally. The interaction between molecules in the liquid is also discussed in comparison with that in another liquid chalcogen--halogen system Se0.5Cl0.5.

Effect of cantilever geometry on the optical lever sensitivities and thermal noise method of the atomic force microscope.

PubMed

Sader, John E; Lu, Jianing; Mulvaney, Paul

2014-11-01

Calibration of the optical lever sensitivities of atomic force microscope (AFM) cantilevers is especially important for determining the force in AFM measurements. These sensitivities depend critically on the cantilever mode used and are known to differ for static and dynamic measurements. Here, we calculate the ratio of the dynamic and static sensitivities for several common AFM cantilevers, whose shapes vary considerably, and experimentally verify these results. The dynamic-to-static optical lever sensitivity ratio is found to range from 1.09 to 1.41 for the cantilevers studied - in stark contrast to the constant value of 1.09 used widely in current calibration studies. This analysis shows that accuracy of the thermal noise method for the static spring constant is strongly dependent on cantilever geometry - neglect of these dynamic-to-static factors can induce errors exceeding 100%. We also discuss a simple experimental approach to non-invasively and simultaneously determine the dynamic and static spring constants and optical lever sensitivities of cantilevers of arbitrary shape, which is applicable to all AFM platforms that have the thermal noise method for spring constant calibration.

Analysis and Test of Deep Flaws in Thin Sheets of Aluminum and Titanium. Volume 2: Crack Opening Displacement and Stress-Strain Data

NASA Technical Reports Server (NTRS)

Finger, R. W.

1978-01-01

Static fracture tests were performed on surface flawed specimens of aluminum and titanium alloys. A simulated proof overload cycle was applied prior to all of the cyclic tests. Variables included in each test series were flaw shapes and thickness. Additionally, test temperature was a variable for the aluminum test series. The crack opening displacement and stress-strain data obtained are presented.

Cryogenic cooler apparatus

DOEpatents

Wheatley, J.C.; Paulson, D.N.; Allen, P.C.

1983-01-04

A Malone-type final stage for utilization in a Stirling cycle cryogenic cooler apparatus includes a displacer slidable within a vessel. [sup 4]He, [sup 3]He, or a mixture thereof is made to flow in a pulsating unidirectional manner through a regenerator in the displacer by utilization of check valves in separate fluid channels. Stacked copper screen members extend through the channels and through a second static thermodynamic medium within the displacer to provide efficient lateral heat exchange and enable cooling to temperatures in the range of 3--4 K. Another embodiment utilizes sintered copper particles in the regenerator. Also described is a final stage that has a non-thermally conducting displacer having passages with check valves for directing fluid past a regenerator formed in the surrounding vessel. 10 figs.

Cryogenic cooler apparatus

DOEpatents

Wheatley, John C.; Paulson, Douglas N.; Allen, Paul C.

1983-01-01

A Malone-type final stage for utilization in a Stirling cycle cryogenic cooler apparatus includes a displacer slidable within a vessel. .sup.4 He, .sup.3 He, or a mixture thereof is made to flow in a pulsating unidirectional manner through a regenerator in the displacer by utilization of check valves in separate fluid channels. Stacked copper screen members extend through the channels and through a second static thermodynamic medium within the displacer to provide efficient lateral heat exchange and enable cooling to temperatures in the range of 3-4 K. Another embodiment utilizes sintered copper particles in the regenerator. Also described is a final stage that has a non-thermally conducting displacer having passages with check valves for directing fluid past a regenerator formed in the surrounding vessel.

Simulation of Rutherford backscattering spectrometry from arbitrary atom structures

DOE PAGES

Zhang, S.; Univ. of Helsinki; Nordlund, Kai; ...

2016-10-25

Rutherford backscattering spectrometry in a channeling direction (RBS/C) is a powerful tool for analysis of the fraction of atoms displaced from their lattice positions. However, it is in many cases not straightforward to analyze what is the actual defect structure underlying the RBS/C signal. To reveal insights of RBS/C signals from arbitrarily complex defective atomic structures, we develop in this paper a method for simulating the RBS/C spectrum from a set of arbitrary read-in atom coordinates (obtained, e.g., from molecular dynamics simulations). We apply the developed method to simulate the RBS/C signals from Ni crystal structures containing randomly displaced atoms,more » Frenkel point defects, and extended defects, respectively. The RBS/C simulations show that, even for the same number of atoms in defects, the RBS/C signal is much stronger for the extended defects. Finally, comparison with experimental results shows that the disorder profile obtained from RBS/C signals in ion-irradiated Ni is due to a small fraction of extended defects rather than a large number of individual random atoms.« less

Quasi-static displacement calibration system for a “Violin-Mode” shadow-sensor intended for Gravitational Wave detector suspensions

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

Lockerbie, N. A.; Tokmakov, K. V.

This paper describes the design of, and results from, a calibration system for optical linear displacement (shadow) sensors. The shadow sensors were designed to detect “Violin-Mode” (VM) resonances in the 0.4 mm diameter silica fibre suspensions of the test masses/mirrors of Advanced Laser Interferometer Gravitational Wave Observatory gravitational wave interferometers. Each sensor illuminated the fibre under test, so as to cast its narrow shadow onto a “synthesized split photodiode” detector, the shadow falling over adjacent edges of the paired photodiodes. The apparatus described here translated a vertically orientated silica test fibre horizontally through a collimated Near InfraRed illuminating beam, whilstmore » simultaneously capturing the separate DC “shadow notch” outputs from each of the paired split photodiode detectors. As the ratio of AC to DC photocurrent sensitivities to displacement was known, a calibration of the DC response to quasi-static shadow displacement allowed the required AC sensitivity to vibrational displacement to be found. Special techniques are described for generating the required constant scan rate for the test fibre using a DC motor-driven stage, for removing “jitter” at such low translation rates from a linear magnetic encoder, and so for capturing the two shadow-notch signals at each micrometre of the test fibre's travel. Calibration, across the four detectors of this work, gave a vibrational responsivity in voltage terms of (9.45 ± 1.20) MV (rms)/m, yielding a VM displacement sensitivity of (69 ± 13) pm (rms)/√Hz, at 500 Hz, over the required measuring span of ±0.1 mm.« less

Resonance interatomic energy in a Schwarzschild spacetime

NASA Astrophysics Data System (ADS)

Zhou, Wenting; Yu, Hongwei

2017-08-01

We study, in the Schwarzschild spacetime, the resonance interatomic energy (RIE) of two static identical atoms with an interatomic separation L along the radial direction and correlated by a symmetric/antisymmetric entangled state. The atoms are assumed to be coupled to massless scalar fields in the Boulware, Unruh, and Hartle-Hawking vacua, and approximate analytical results are obtained both at infinity and near the horizon. Our results show that at infinity, the RIE approaches that in a flat spacetime, while, near the horizon, they can deviate dramatically from each other. Besides, different from other atomic radiative properties such as the Lamb shift of a single atom or the interatomic energy between two uncorrelated atoms, which can be obviously affected by the thermal character of quantum fields, the RIE of two atoms in a symmetric/antisymmetric entangled state in the Boulware, Unruh, and Hartle-Hawking vacua are exactly the same as a result of the fact that the RIE of two such atoms depends only on the atomic self-reaction, i.e., it does not feel the vacuum fluctuations. This suggests that the RIE of two static atoms in a symmetric/antisymmetric entangled state outside a black hole is oblivious to the Hawking radiation, in contrast to those uncorrelated atoms.

Crystal water dynamics of guanosine dihydrate: analysis of atomic displacement parameters, time profile of hydrogen-bonding probability, and translocation of water by MD simulation.

PubMed

Yoneda, Shigetaka; Sugawara, Yoko; Urabe, Hisako

2005-01-27

The dynamics of crystal water molecules of guanosine dihydrate are investigated in detail by molecular dynamics (MD) simulation. A 2 ns simulation is performed using a periodic boundary box composed of 4 x 5 x 8 crystallographic unit cells and using the particle-mesh Ewald method for calculation of electrostatic energy. The simulated average atomic positions and atomic displacement parameters are remarkably coincident with the experimental values determined by X-ray analysis, confirming the high accuracy of this simulation. The dynamics of crystal water are analyzed in terms of atomic displacement parameters, orientation vectors, order parameters, self-correlation functions of the orientation vectors, time profiles of hydrogen-bonding probability, and translocations. The simulation clarifies that the average structure is composed of various stable and transient structures of the molecules. The simulated guanosine crystal forms a layered structure, with four water sites per asymmetric unit, classified as either interlayer water or intralayer water. From a detailed analysis of the translocations of water molecules in the simulation, columns of intralayer water molecules along the c axis appear to represent a pathway for hydration and dehydration by a kind of molecular valve mechanism.

Diffraction peak profiles of surface relaxed spherical nanocrystals

NASA Astrophysics Data System (ADS)

Perez-Demydenko, C.; Scardi, P.

2017-09-01

A model is proposed for surface relaxation of spherical nanocrystals. Besides reproducing the primary effect of changing the average unit cell parameter, the model accounts for the inhomogeneous atomic displacement caused by surface relaxation and its effect on the diffraction line profiles. Based on three parameters with clear physical meanings - extension of the sub-coordination effect, maximum radial displacement due to sub-coordination, and effective hydrostatic pressure - the model also considers elastic anisotropy and provides parametric expressions of the diffraction line profiles directly applicable in data analysis. The model was tested on spherical nanocrystals of several fcc metals, matching atomic positions with those provided by Molecular Dynamics (MD) simulations based on embedded atom potentials. Agreement was also verified between powder diffraction patterns generated by the Debye scattering equation, using atomic positions from MD and the proposed model.

Atomic transport during solid-phase epitaxial recrystallization of amorphous germanium

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

Radek, M.; Bracht, H., E-mail: bracht@uni-muenster.de; Johnson, B. C.

2015-08-24

The atomic mixing of matrix atoms during solid-phase epitaxy (SPE) is studied by means of isotopically enriched germanium (Ge) multilayer structures that were amorphized by Ge ion implantation up to a depth of 1.5 μm. Recrystallization of the amorphous structure is performed at temperatures between 350 °C and 450 °C. Secondary-ion-mass-spectrometry is used to determine the concentration-depth profiles of the Ge isotope before and after SPE. An upper limit of 0.5 nm is deduced for the displacement length of the Ge matrix atoms by the SPE process. This small displacement length is consistent with theoretical models and atomistic simulations of SPE, indicating that themore » SPE mechanism consists of bond-switching with nearest-neighbours across the amorphous-crystalline (a/c) interface.« less

A theoretical study of the omega-phase transformation in metals

NASA Astrophysics Data System (ADS)

Sanati, Mahdi

I have studied the formation of o-phase from electronic and mesoscopic (domain wall) points of view. To study the formation of domain walls, I have extended the Landau model of Cook for the o-phase transition by including a spatial gradient (Ginzburg) term of the scalar order parameter. In general, the Landau free energy is an asymmetric double-well potential. From the variational derivative of the total free energy I obtained a static equilibrium condition. By solving this equation for different physical parameters and boundary conditions, I obtained different quasi-one-dimensional soliton-like solutions. These solutions correspond to three different types of domain walls between the o-phase and the beta-matrix. These results are used to model the formation of the o-phase in bcc Ti. Canonical band model and first principles calculations confirmed the instability of the bcc-phase of group III and IV transition metals with respect to the o-phase transformation. I showed that the d-electron density is the controlling parameter for this type of the transformation. Also the possibility of formation of the o-phase for rare earth metals is discussed. First-principles full-potential linear muffin-tin orbital method (FPLMTO) calculations are performed for o-type displacement of the atoms to study the formation of the o-phase in TiAl and Ti 3Al2Nb alloys. The results of my calculations showed an instability in ordered B2 TiAl structure with respect to the o-phase when one third of the Al atoms are replaced by Nb atoms. These phenomena are explained, first by symmetry arguments; then a pair potential model is used to illustrate this instability based on interactions between different pair of atoms derived from the electronic structure. In addition, importance of the atomic arrangements on the structural stability of the Ti3Al2 Nb system is discussed.

Assessing the Utility of Strong Motion Data to Determine Static Ground Displacements During Great Megathrust Earthquakes: Tohoku and Iquique

NASA Astrophysics Data System (ADS)

Herman, M. W.; Furlong, K. P.; Hayes, G. P.; Benz, H.

2014-12-01

Strong motion accelerometers can record large amplitude shaking on-scale in the near-field of large earthquake ruptures; however, numerical integration of such records to determine displacement is typically unstable due to baseline changes (i.e., distortions in the zero value) that occur during strong shaking. We use datasets from the 2011 Mw 9.0 Tohoku earthquake to assess whether a relatively simple empirical correction scheme (Boore et al., 2002) can return accurate displacement waveforms useful for constraining details of the fault slip. The coseismic deformation resulting from the Tohoku earthquake was recorded by the Kiban Kyoshin network (KiK-net) of strong motion instruments as well as by a dense network of high-rate (1 Hz) GPS instruments. After baseline correcting the KiK-net records and integrating to displacement, over 85% of the KiK-net borehole instrument waveforms and over 75% of the KiK-net surface instrument waveforms match collocated 1 Hz GPS displacement time series. Most of the records that do not match the GPS-derived displacements following the baseline correction have large, systematic drifts that can be automatically identified by examining the slopes in the first 5-10 seconds of the velocity time series. We apply the same scheme to strong motion records from the 2014 Mw 8.2 Iquique earthquake. Close correspondence in both direction and amplitude between coseismic static offsets derived from the integrated strong motion time series and those predicted from a teleseismically-derived finite fault model, as well as displacement amplitudes consistent with InSAR-derived results, suggest that the correction scheme works successfully for the Iquique event. In the absence of GPS displacements, these strong motion-derived offsets provide constraints on the overall distribution of slip on the fault. In addition, the coseismic strong motion-derived displacement time series (50-100 s long) contain a near-field record of the temporal evolution of the rupture, supplementing teleseismic data and improving resolution of the location and timing of moment in finite fault models.

Atomistically determined phase-field modeling of dislocation dissociation, stacking fault formation, dislocation slip, and reactions in fcc systems

NASA Astrophysics Data System (ADS)

Rezaei Mianroodi, Jaber; Svendsen, Bob

2015-04-01

The purpose of the current work is the development of a phase field model for dislocation dissociation, slip and stacking fault formation in single crystals amenable to determination via atomistic or ab initio methods in the spirit of computational material design. The current approach is based in particular on periodic microelasticity (Wang and Jin, 2001; Bulatov and Cai, 2006; Wang and Li, 2010) to model the strongly non-local elastic interaction of dislocation lines via their (residual) strain fields. These strain fields depend in turn on phase fields which are used to parameterize the energy stored in dislocation lines and stacking faults. This energy storage is modeled here with the help of the "interface" energy concept and model of Cahn and Hilliard (1958) (see also Allen and Cahn, 1979; Wang and Li, 2010). In particular, the "homogeneous" part of this energy is related to the "rigid" (i.e., purely translational) part of the displacement of atoms across the slip plane, while the "gradient" part accounts for energy storage in those regions near the slip plane where atomic displacements deviate from being rigid, e.g., in the dislocation core. Via the attendant global energy scaling, the interface energy model facilitates an atomistic determination of the entire phase field energy as an optimal approximation of the (exact) atomistic energy; no adjustable parameters remain. For simplicity, an interatomic potential and molecular statics are employed for this purpose here; alternatively, ab initio (i.e., DFT-based) methods can be used. To illustrate the current approach, it is applied to determine the phase field free energy for fcc aluminum and copper. The identified models are then applied to modeling of dislocation dissociation, stacking fault formation, glide and dislocation reactions in these materials. As well, the tensile loading of a dislocation loop is considered. In the process, the current thermodynamic picture is compared with the classical mechanical one as based on the Peach-Köhler force.

Minimum constitutive relation error based static identification of beams using force method

NASA Astrophysics Data System (ADS)

Guo, Jia; Takewaki, Izuru

2017-05-01

A new static identification approach based on the minimum constitutive relation error (CRE) principle for beam structures is introduced. The exact stiffness and the exact bending moment are shown to make the CRE minimal for given displacements to beam damages. A two-step substitution algorithm—a force-method step for the bending moment and a constitutive-relation step for the stiffness—is developed and its convergence is rigorously derived. Identifiability is further discussed and the stiffness in the undeformed region is found to be unidentifiable. An extra set of static measurements is complemented to remedy the drawback. Convergence and robustness are finally verified through numerical examples.

A comparison of neutron and gamma damage effects on silica glass in a nuclear reactor radiation environment

NASA Astrophysics Data System (ADS)

Holcomb, David E.; Miller, Don W.

1993-08-01

A study of the relative damage effects of neutrons and gamma rays on silica glass in a nuclear reactor radiation environment is reported. The neutron and gamma energy spectra of the Ohio State University Research Reactor beam port #1 were applied to silica glass to obtain primary knock-on charged particle energy spectra. The resultant charged particle spectra were then applied to the polyatomic forms of the Lindhard et al. integrodifferential equation for damage energy and the Parkin and Coulter integrodifferential equation for net atomic displacement. The results show that near a nuclear reactor core the vast majority of the dose to silica is due to gamma rays (factor of roughly 40) and that neutrons cause much more displacement damage than gamma rays (35 times the oxygen displacement rate and 500 times the silicon displacement rate). However, pure silica core optical fibers irradiated in a nuclear reactor's mixed neutron/gamma environment exhibit little difference in transmission loss on an equal dose basis compared to fibers irradiated in a gamma only environment, indicating that atomic displacement is not a significant damage mechanism.

Interplay between interstitial displacement and displacive lattice transformations

NASA Astrophysics Data System (ADS)

Zhang, Xie; Hickel, Tilmann; Rogal, Jutta; Neugebauer, Jörg

2016-09-01

Diffusionless displacive lattice rearrangements, which include martensitic transformations, are in real materials often accompanied by a displacive drag of interstitials. The interplay of both processes leads to a particular atomistic arrangement of the interstitials in the product phase, which is decisive for its performance. An archetype example is the martensitic transformation in Fe-C alloys. One of the puzzles for this system is that the deviation from the cubic symmetry (i.e., the tetragonality) in the martensite resulting from this interplay is lower than what thermodynamics dictates. In our ab initio approach, the relative motion of C in the transforming lattice is studied with the nudged elastic band method. We prove that an atomic shearlike shuffle mechanism of adjacent (11 2 ¯) Fe layers along the ±[111] bcc directions is essential to achieve a redistribution of C atoms during the fcc → bcc transition, which fully explains the abnormal behavior. Furthermore, the good agreement with experiment validates our method to treat a diffusionless redistribution of interstitials and a displacive rearrangement of the host lattice simultaneously.

Effectiveness of Wii-based rehabilitation in stroke: A randomized controlled study.

PubMed

Karasu, Ayça Utkan; Batur, Elif Balevi; Karataş, Gülçin Kaymak

2018-05-08

To investigate the efficacy of Nintendo Wii Fit®-based balance rehabilitation as an adjunc-tive therapy to conventional rehabilitation in stroke patients. During the study period, 70 stroke patients were evaluated. Of these, 23 who met the study criteria were randomly assigned to either the experimental group (n = 12) or the control group (n = 11) by block randomization. Primary outcome measures were Berg Balance Scale, Functional Reach Test, Postural Assessment Scale for Stroke Patients, Timed Up and Go Test and Static Balance Index. Secondary outcome measures were postural sway, as assessed with Emed-X, Functional Independence Measure Transfer and Ambulation Scores. An evaluator who was blinded to the groups made assessments immediately before (baseline), immediately after (post-treatment), and 4 weeks after completion of the study (follow-up). Group-time interaction was significant in the Berg Balance Scale, Functional Reach Test, anteroposterior and mediolateral centre of pressure displacement with eyes open, anteroposterior centre of pressure displacement with eyes closed, centre of pressure displacement during weight shifting to affected side, to unaffected side and total centre of pressure displacement during weight shifting. Demonstrating significant group-time interaction in those parameters suggests that, while both groups exhibited significant improvement, the experimental group showed greater improvement than the control group. Virtual reality exercises with the Nintendo Wii system could represent a useful adjunctive therapy to traditional treatment to improve static and dynamic balance in stroke patients.

Acoustic radiation stress measurement

NASA Technical Reports Server (NTRS)

Cantrell, John H., Jr.; Yost, William T.

1987-01-01

Ultrasonic radio frequency tone-bursts are launched into a sample of material tested. The amplitude of the tone-bursts and the slope of the resulting static displacement pulses are measured. These measurements are used to calculate the nonlinearities of the materials.

Note: Thermal analog to atomic force microscopy force-displacement measurements for nanoscale interfacial contact resistance.

PubMed

Iverson, Brian D; Blendell, John E; Garimella, Suresh V

2010-03-01

Thermal diffusion measurements on polymethylmethacrylate-coated Si substrates using heated atomic force microscopy tips were performed to determine the contact resistance between an organic thin film and Si. The measurement methodology presented demonstrates how the thermal contrast signal obtained during a force-displacement ramp is used to quantify the resistance to heat transfer through an internal interface. The results also delineate the interrogation thickness beyond which thermal diffusion in the organic thin film is not affected appreciably by the underlying substrate.

Computer program for nonlinear static stress analysis of shuttle thermal protection system: User's manual

NASA Technical Reports Server (NTRS)

Giles, G. L.; Wallas, M.

1981-01-01

User documentation is presented for a computer program which considers the nonlinear properties of the strain isolator pad (SIP) in the static stress analysis of the shuttle thermal protection system. This program is generalized to handle an arbitrary SIP footprint including cutouts for instrumentation and filler bar. Multiple SIP surfaces are defined to model tiles in unique locations such as leading edges, intersections, and penetrations. The nonlinearity of the SIP is characterized by experimental stress displacement data for both normal and shear behavior. Stresses in the SIP are calculated using a Newton iteration procedure to determine the six rigid body displacements of the tile which develop reaction forces in the SIP to equilibrate the externally applied loads. This user documentation gives an overview of the analysis capabilities, a detailed description of required input data and an example to illustrate use of the program.

Effect of Eccentricity on the Static and Dynamic Performance of a Turbulent Hybrid Bearing

NASA Technical Reports Server (NTRS)

Sanandres, Luis A.

1991-01-01

The effect of journal eccentricity on the static and dynamic performance of a water lubricated, 5-recess hybrid bearing is presented in detail. The hydrostatic bearing has been designed to operate at a high speed and with a large level of external pressurization. The operating conditions determine the flow in the bearing to be highly turbulent and strongly dominated by fluid inertia effects. The analysis covers the spectrum of journal center displacements directed towards the middle of a recess and towards the mid-land portion between two consecutive recesses. Predicted dynamic force coefficients are uniform for small to moderate eccentricities. For large journal center displacements, fluid cavitation and recess position determine large changes in the bearing dynamic performance. The effect of fluid inertia force coefficients on the threshold speed of instability and whirl ratio of a single mass flexible rotor is discussed.

Static testing of a bridge using an interferometric radar: the case study of "Ponte degli Alpini," Belluno, Italy.

PubMed

Dei, Devis; Mecatti, Daniele; Pieraccini, Massimiliano

2013-01-01

Ground-based radar interferometry is an increasingly popular technique for monitoring civil infrastructures. In this paper, the static testing of a bridge is reported. It was an 8-span bridge, 297 m long, named "Ponte degli Alpini," crossing the valley of the Ardo River. The radar has been used for testing a lateral span and a central span. The obtained results present elements of novelty not previously reported in the literature. In fact, some displacement measurements of the lateral span have been affected by a horizontal shift that has to be taken into account for a correct interpretation of the measured data. Furthermore, the measurements of the central span have been carried out with the radar positioned transversally with respect to the bridge deck; this unusual arrangement has allowed for obtaining displacement maps less geometrically distorted with respect to other cases reported in the literature.

Application of Classical Land Surveying Measurement Methods for Determining the Vertical Displacement of Railway Bridges

NASA Astrophysics Data System (ADS)

Gawronek, Pelagia; Makuch, Maria

2017-12-01

The classical measurements of stability of railway bridge, in the context of determining the vertical displacements of the object, consisted on precise leveling of girders and trigonometric leveling of controlled points (fixed into girders' surface). The construction elements, which were measured in two ways, in real terms belonged to the same vertical planes. Altitude measurements of construction were carried out during periodic structural stability tests and during static load tests of bridge by train. The specificity of displacement measurements, the type of measured object and the rail land surveying measurement conditions were determinants to define methodology of altitude measurement. The article presents compatibility of vertical displacements of steel railway bridge, which were developed in two measurement methods. In conclusion, the authors proposed the optimum concept of determining the vertical displacements of girders by using precise and trigonometric leveling (in terms of accuracy, safety and economy of measurement).

Differential dpa calculations with SPECTRA-PKA

NASA Astrophysics Data System (ADS)

Gilbert, M. R.; Sublet, J.-Ch.

2018-06-01

The processing code SPECTRA-PKA produces energy spectra of primary atomic recoil events (or primary knock-on atoms, PKAs) for any material composition exposed to an irradiation spectrum. Such evaluations are vital inputs for simulations aimed at understanding the evolution of damage in irradiated material, which is generated in cascade displacement events initiated by PKAs. These PKA spectra present the full complexity of the input (to SPECTRA-PKA) nuclear data-library evaluations of recoil events. However, the commonly used displacements per atom (dpa) measure, which is an integral measure over all possible recoil events of the displacement damage dose, is still widely used and has many useful applications - as both a comparative and correlative quantity. This paper describes the methodology employed that allows the SPECTRA-PKA code to evaluate dpa rates using the energy-dependent recoil (PKA) cross section data used for the PKA distributions. This avoids the need for integral displacement kerma cross sections and also provides new insight into the relative importance of different reaction channels (and associated different daughter residual and emitted particles) to the total integrated dpa damage dose. Results are presented for Fe, Ni, W, and SS316. Fusion dpa rates are compared to those in fission, highlighting the increased contribution to damage creation in the former from high-energy threshold reactions.

Disorder in Protein Crystals.

NASA Astrophysics Data System (ADS)

Clarage, James Braun, II

1990-01-01

Methods have been developed for analyzing the diffuse x-ray scattering in the halos about a crystal's Bragg reflections as a means of determining correlations in atomic displacements in protein crystals. The diffuse intensity distribution for rhombohedral insulin, tetragonal lysozyme, and triclinic lysozyme crystals was best simulated in terms of exponential displacement correlation functions. About 90% of the disorder can be accounted for by internal movements correlated with a decay distance of about 6A; the remaining 10% corresponds to intermolecular movements that decay in a distance the order of size of the protein molecule. The results demonstrate that protein crystals fit into neither the Einstein nor the Debye paradigms for thermally fluctuating crystalline solids. Unlike the Einstein model, there are correlations in the atomic displacements, but these correlations decay more steeply with distance than predicted by the Debye-Waller model for an elastic solid. The observed displacement correlations are liquid -like in the sense that they decay exponentially with the distance between atoms, just as positional correlations in a liquid. This liquid-like disorder is similar to the disorder observed in 2-D crystals of polystyrene latex spheres, and similar systems where repulsive interactions dominate; hence, these colloidal crystals appear to provide a better analogy for the dynamics of protein crystals than perfectly elastic lattices.

Oxygen Displacement in Cuprates under Ionic Liquid Field-Effect Gating

PubMed Central

Dubuis, Guy; Yacoby, Yizhak; Zhou, Hua; He, Xi; Bollinger, Anthony T.; Pavuna, Davor; Pindak, Ron; Božović, Ivan

2016-01-01

We studied structural changes in a 5 unit cell thick La1.96Sr0.04CuO4 film, epitaxially grown on a LaSrAlO4 substrate with a single unit cell buffer layer, when ultra-high electric fields were induced in the film by applying a gate voltage between the film (ground) and an ionic liquid in contact with it. Measuring the diffraction intensity along the substrate-defined Bragg rods and analyzing the results using a phase retrieval method we obtained the three-dimensional electron density in the film, buffer layer, and topmost atomic layers of the substrate under different applied gate voltages. The main structural observations were: (i) there were no structural changes when the voltage was negative, holes were injected into the film making it more metallic and screening the electric field; (ii) when the voltage was positive, the film was depleted of holes becoming more insulating, the electric field extended throughout the film, the partial surface monolayer became disordered, and equatorial oxygen atoms were displaced towards the surface; (iii) the changes in surface disorder and the oxygen displacements were both reversed when a negative voltage was applied; and (iv) the c-axis lattice constant of the film did not change in spite of the displacement of equatorial oxygen atoms. PMID:27578237

Reversible and irreversible reactions of three oxygen precursors on InAs(0 0 1)-(4 × 2)/ c(8 × 2)

NASA Astrophysics Data System (ADS)

Clemens, Jonathon B.; Droopad, Ravi; Kummel, Andrew C.

2010-10-01

The substrate reactions of three common oxygen sources for gate oxide deposition on the group III rich InAs(0 0 1)-(4 × 2)/ c(8 × 2) surface are compared: water, hydrogen peroxide (HOOH), and isopropyl alcohol (IPA). Scanning tunneling microscopy reveals that surface atom displacement occurs in all cases, but via different mechanisms for each oxygen precursor. The reactions are examined as a function of post-deposition annealing temperature. Water reaction shows displacement of surface As atoms, but it does not fully oxidize the As; the reaction is reversed by high temperature (450 °C) annealing. Exposure to IPA and subsequent low-temperature annealing (100 °C) show the preferential reaction on the row features of InAs(0 0 1)-(4 × 2)/ c(8 × 2), but higher temperature anneals result in permanent surface atom displacement/etching. Etching of the substrate is observed with HOOH exposure for all annealing temperatures. While nearly all oxidation reactions on group IV semiconductors are irreversible, the group III rich surface of InAs(0 0 1) shows that oxidation displacement reactions can be reversible at low temperature, thereby providing a mechanism of self-healing during oxidation reactions.

Static posturography with dynamic tests. Usefulness of biomechanical parameters in assessing vestibular patients.

PubMed

Balaguer García, Ramón; Pitarch Corresa, Salvador; Baydal Bertomeu, José María; Morales Suárez-Varela, María M

2012-01-01

Posturography allows evaluating postural control. This study showed the posturographic parameters that were useful for assessing the functional ability to maintain balance in our sample of vestibular patients. Of a total of 89 patients, 59 were healthy subjects and 30 had a peripheral vestibular disorder. The subjects were studied using the posturographic NedSVE/IBV system, combining static (Romberg) and dynamic (stability limits and rhythmic weight shifts) tests. We then compared the measurements found in the groups. Normal subjects showed significantly lower oscillations than our patients in all of the posturographic parameters studied (except the displacement angle). In testing the limits of stability, although normal subjects achieved maximum displacements greater than the subjects with the disorder, the differences found were not significant. In rhythmic weight shift tests, normal subjects showed more favourable results than did the vestibular patients, with significant differences in 3 of the 4 parameters studied: 1) anteroposterior ability, 2) mediolateral ability, and 3) anteroposterior control and efficiency. Rhythmic weight shift tests and the static posturography test parameters used were useful in discriminating among the normal and pathological subjects in this study. Copyright © 2011 Elsevier España, S.L. All rights reserved.

A level set method for determining critical curvatures for drainage and imbibition.

PubMed

Prodanović, Masa; Bryant, Steven L

2006-12-15

An accurate description of the mechanics of pore level displacement of immiscible fluids could significantly improve the predictions from pore network models of capillary pressure-saturation curves, interfacial areas and relative permeability in real porous media. If we assume quasi-static displacement, at constant pressure and surface tension, pore scale interfaces are modeled as constant mean curvature surfaces, which are not easy to calculate. Moreover, the extremely irregular geometry of natural porous media makes it difficult to evaluate surface curvature values and corresponding geometric configurations of two fluids. Finally, accounting for the topological changes of the interface, such as splitting or merging, is nontrivial. We apply the level set method for tracking and propagating interfaces in order to robustly handle topological changes and to obtain geometrically correct interfaces. We describe a simple but robust model for determining critical curvatures for throat drainage and pore imbibition. The model is set up for quasi-static displacements but it nevertheless captures both reversible and irreversible behavior (Haines jump, pore body imbibition). The pore scale grain boundary conditions are extracted from model porous media and from imaged geometries in real rocks. The method gives quantitative agreement with measurements and with other theories and computational approaches.

Development and evaluation of a device for simultaneous uniaxial compression and optical imaging of cartilage samples in vitro

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

Steinert, Marian; Kratz, Marita; Jones, David B.

2014-10-15

In this paper, we present a system that allows imaging of cartilage tissue via optical coherence tomography (OCT) during controlled uniaxial unconfined compression of cylindrical osteochondral cores in vitro. We describe the system design and conduct a static and dynamic performance analysis. While reference measurements yield a full scale maximum deviation of 0.14% in displacement, force can be measured with a full scale standard deviation of 1.4%. The dynamic performance evaluation indicates a high accuracy in force controlled mode up to 25 Hz, but it also reveals a strong effect of variance of sample mechanical properties on the tracking performancemore » under displacement control. In order to counterbalance these disturbances, an adaptive feed forward approach was applied which finally resulted in an improved displacement tracking accuracy up to 3 Hz. A built-in imaging probe allows on-line monitoring of the sample via OCT while being loaded in the cultivation chamber. We show that cartilage topology and defects in the tissue can be observed and demonstrate the visualization of the compression process during static mechanical loading.« less

Holographic interferometry applied to the measurement of displacements of the interior points of transparent bodies.

PubMed

Sciammarella, C A; Gilbert, J A

1976-09-01

Utilizing the light scattering property of transparent media, holographic interferometry is applied to the measurement of displacement at the interior planes of three dimensional bodies. The use of a double beam illumination and the introduction of a fictitious displacement make it feasible to obtain information corresponding to components of displacement projected on the scattering plane. When the proposed techniques are invoked, it is possible to eliminate the use of a matching index of refraction fluid in many problems involving symmetrically loaded prismatic bodies. Scattered light holographic interferometry is limited in its use to small changes in the index of refraction and to low values of relative retardation. In spite of these restrictions, a large number of technical problems in both statics and dynamics can be solved.

Delocalization via Sliding in Solid 4He: Is It Plausible?

NASA Astrophysics Data System (ADS)

Krainyukova, N. V.

2010-02-01

The modified Debye approach was used to calculate the Gibbs free energy for solid 4He and energetic profiles for different atomic displacements with respect to an equilibrium lattice. Atoms interact via the applied Aziz potential. We have found that individual atomic displacements may hardly give rise to any delocalization because of huge barriers but cooperative plane sliding is highly plausible especially in the intermediate phase, which was found to be more favorable than hcp for small cluster sizes. In the latter case the roughness of the potential profile is less than one kelvin. In some particular sliding cases the energy levels in the nearest wells nearly coincide that is a well-known precursor for the delocalization effect.

Bandgap modulation in photoexcited topological insulator Bi{sub 2}Te{sub 3} via atomic displacements

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

Hada, Masaki, E-mail: hadamasaki@okayama-u.ac.jp; Materials and Structures Laboratory, Tokyo Institute of Technology, Yokohama 226-8503; PRESTO, Japan Science and Technology Agency, Kawaguchi 332-0012

2016-07-14

The atomic and electronic dynamics in the topological insulator (TI) Bi{sub 2}Te{sub 3} under strong photoexcitation were characterized with time-resolved electron diffraction and time-resolved mid-infrared spectroscopy. Three-dimensional TIs characterized as bulk insulators with an electronic conduction surface band have shown a variety of exotic responses in terms of electronic transport when observed under conditions of applied pressure, magnetic field, or circularly polarized light. However, the atomic motions and their correlation between electronic systems in TIs under strong photoexcitation have not been explored. The artificial and transient modification of the electronic structures in TIs via photoinduced atomic motions represents a novelmore » mechanism for providing a comparable level of bandgap control. The results of time-domain crystallography indicate that photoexcitation induces two-step atomic motions: first bismuth and then tellurium center-symmetric displacements. These atomic motions in Bi{sub 2}Te{sub 3} trigger 10% bulk bandgap narrowing, which is consistent with the time-resolved mid-infrared spectroscopy results.« less

Simultaneous in-plane and out-of-plane displacement measurement based on a dual-camera imaging system and its application to inspection of large-scale space structures

NASA Astrophysics Data System (ADS)

Ri, Shien; Tsuda, Hiroshi; Yoshida, Takeshi; Umebayashi, Takashi; Sato, Akiyoshi; Sato, Eiichi

2015-07-01

Optical methods providing full-field deformation data have potentially enormous interest for mechanical engineers. In this study, an in-plane and out-of-plane displacement measurement method based on a dual-camera imaging system is proposed. The in-plane and out-of-plane displacements are determined simultaneously using two measured in-plane displacement data observed from two digital cameras at different view angles. The fundamental measurement principle and experimental results of accuracy confirmation are presented. In addition, we applied this method to the displacement measurement in a static loading and bending test of a solid rocket motor case (CFRP material; 2.2 m diameter and 2.3 m long) for an up-to-date Epsilon rocket developed by JAXA. The effectiveness and measurement accuracy is confirmed by comparing with conventional displacement sensor. This method could be useful to diagnose the reliability of large-scale space structures in the rocket development.

Atomistic material behavior at extreme pressures

DOE PAGES

Beland, Laurent K.; Osetskiy, Yury N.; Stoller, Roger E.

2016-08-05

Computer simulations are routinely performed to model the response of materials to extreme environments, such as neutron (or ion) irradiation. The latter involves high-energy collisions from which a recoiling atom creates a so-called atomic displacement cascade. These cascades involve coordinated motion of atoms in the form of supersonic shockwaves. These shockwaves are characterized by local atomic pressures >15 GPa and interatomic distances <2 Å. Similar pressures and interatomic distances are observed in other extreme environment, including short-pulse laser ablation, high-impact ballistic collisions and diamond anvil cells. Displacement cascade simulations using four different force fields, with initial kinetic energies ranging frommore » 1 to 40 keV, show that there is a direct relationship between these high-pressure states and stable defect production. An important shortcoming in the modeling of interatomic interactions at these short distances, which in turn determines final defect production, is brought to light.« less

A framework for fast probabilistic centroid-moment-tensor determination—inversion of regional static displacement measurements

NASA Astrophysics Data System (ADS)

Käufl, Paul; Valentine, Andrew P.; O'Toole, Thomas B.; Trampert, Jeannot

2014-03-01

The determination of earthquake source parameters is an important task in seismology. For many applications, it is also valuable to understand the uncertainties associated with these determinations, and this is particularly true in the context of earthquake early warning (EEW) and hazard mitigation. In this paper, we develop a framework for probabilistic moment tensor point source inversions in near real time. Our methodology allows us to find an approximation to p(m|d), the conditional probability of source models (m) given observations (d). This is obtained by smoothly interpolating a set of random prior samples, using Mixture Density Networks (MDNs)-a class of neural networks which output the parameters of a Gaussian mixture model. By combining multiple networks as `committees', we are able to obtain a significant improvement in performance over that of a single MDN. Once a committee has been constructed, new observations can be inverted within milliseconds on a standard desktop computer. The method is therefore well suited for use in situations such as EEW, where inversions must be performed routinely and rapidly for a fixed station geometry. To demonstrate the method, we invert regional static GPS displacement data for the 2010 MW 7.2 El Mayor Cucapah earthquake in Baja California to obtain estimates of magnitude, centroid location and depth and focal mechanism. We investigate the extent to which we can constrain moment tensor point sources with static displacement observations under realistic conditions. Our inversion results agree well with published point source solutions for this event, once the uncertainty bounds of each are taken into account.

Effects of vacancies on atom displacement threshold energy calculations through Molecular Dynamics Methods in BaTiO3

NASA Astrophysics Data System (ADS)

Gonzalez Lazo, Eduardo; Cruz Inclán, Carlos M.; Rodríguez Rodríguez, Arturo; Guzmán Martínez, Fernando; Abreu Alfonso, Yamiel; Piñera Hernández, Ibrahin; Leyva Fabelo, Antonio

2017-09-01

A primary approach for evaluating the influence of point defects like vacancies on atom displacement threshold energies values Td in BaTiO3 is attempted. For this purpose Molecular Dynamics Methods, MD, were applied based on previous Td calculations on an ideal tetragonal crystalline structure. It is an important issue in achieving more realistic simulations of radiation damage effects in BaTiO3 ceramic materials. It also involves irradiated samples under severe radiation damage effects due to high fluency expositions. In addition to the above mentioned atom displacement events supported by a single primary knock-on atom, PKA, a new mechanism was introduced. It corresponds to the simultaneous excitation of two close primary knock-on atoms in BaTiO3, which might take place under a high flux irradiation. Therefore, two different BaTiO3 Td MD calculation trials were accomplished. Firstly, single PKA excitations in a defective BaTiO3 tetragonal crystalline structure, consisting in a 2×2×2 BaTiO3 perovskite like super cell, were considered. It contains vacancies on Ba and O atomic positions under the requirements of electrical charge balance. Alternatively, double PKA excitations in a perfect BaTiO3 tetragonal unit cell were also simulated. On this basis, the corresponding primary knock-on atom (PKA) defect formation probability functions were calculated at principal crystal directions, and compared with the previous one we calculated and reported at an ideal BaTiO3 tetrahedral crystal structure. As a general result, a diminution of Td values arises in present calculations in comparison with those calculated for single PKA excitation in an ideal BaTiO3 crystal structure.

Dynamic Fracture Toughness Evaluation by Measurement of CTOD (Crack Tip Opening Displacement).

DTIC Science & Technology

1988-03-15

fracture toughness of structural steels were reported by Shoemaker and Rolfe [1]; these and similar results are also presented in the text by Rolfe and...8217 MPaV/-m/s. Following the dynamic tests of Shoemaker and Rolfe , extensions of the familiar ASTM E-399 static fracture toughness tests were examined. This...s.V.: **.4* .4 5, -~ 5 5 - 𔃿 .4.4 References [1] Shoemaker, A.K. and Rolfe , S.T., "The Static and Dynamic Low-Temperature Crack-Toughness

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 Hybrid Approach to Composite Damage and Failure Analysis Combining Synergistic Damage Mechanics and Peridynamics

DTIC Science & Technology

2016-12-31

PERFORMING ORGANIZATION REPORT NUMBER Texas A&M Engineering Experiment Station (TEES) 400 Harvey Mitchell Parkway, Suite 300 M1601473 I 505170-0000112...likely to influence the quasi -static and dynamic crack growth in the composite system. For this step we need a method that reduces/eliminates stress...1 0 7 0 E 0 E _, - 5 _, Fig. 2.1. Quasi -static stretching of an elastic material. Bottom row shows the horizontal displacement obtained with

Epitaxial phase diagrams of SrTiO3, CaTiO3, and SrHfO3: Computational investigation including the role of antiferrodistortive and A -site displacement modes

NASA Astrophysics Data System (ADS)

Angsten, Thomas; Asta, Mark

2018-04-01

Ground-state epitaxial phase diagrams are calculated by density functional theory (DFT) for SrTiO3, CaTiO3, and SrHfO3 perovskite-based compounds, accounting for the effects of antiferrodistortive and A -site displacement modes. Biaxial strain states corresponding to epitaxial growth of (001)-oriented films are considered, with misfit strains ranging between -4 % and 4%. Ground-state structures are determined using a computational procedure in which input structures for DFT optimizations are identified as local minima in expansions of the total energy with respect to strain and soft-mode degrees of freedom. Comparison to results of previous DFT studies demonstrates the effectiveness of the computational approach in predicting ground-state phases. The calculated results show that antiferrodistortive octahedral rotations and associated A -site displacement modes act to suppress polarization and reduce the epitaxial strain energy. A projection of calculated atomic displacements in the ground-state epitaxial structures onto soft-mode eigenvectors shows that three ferroelectric and six antiferrodistortive displacement modes are dominant at all misfit strains considered, with the relative contributions from each varying systematically with the strain. Additional A -site displacement modes contribute to the atomic displacements in CaTiO3 and SrHfO3, which serve to optimize the coordination of the undersized A -site cation.

Analysis on pile testing results of post-grouting bored pile

NASA Astrophysics Data System (ADS)

Zheng, A. R.

2017-04-01

Based on static load test results, the bearing capacity of bored piles with pile-toe and pile-shaft post-grouting has been analyzed. The analysis reveals that: with post-grouting, the interface between pile and surrounding soil are strengthened and the relative sliding displacement in between is reduced; end resistance of pile is enhanced and can be mobilized at earlier stage with smaller sliding displacement. As a result, the performance of bored pile is improved with increased bearing capacity and reduced settlement.

Comparative Study of the Collective Dynamics of Proteins and Inorganic Nanoparticles

PubMed Central

Haddadian, Esmael J.; Zhang, Hao; Freed, Karl F.; Douglas, Jack F.

2017-01-01

Molecular dynamics simulations of ubiquitin in water/glycerol solutions are used to test the suggestion by Karplus and coworkers that proteins in their biologically active state should exhibit a dynamics similar to ‘surface-melted’ inorganic nanoparticles (NPs). Motivated by recent studies indicating that surface-melted inorganic NPs are in a ‘glassy’ state that is an intermediate dynamical state between a solid and liquid, we probe the validity and significance of this proposed analogy. In particular, atomistic simulations of ubiquitin in solution based on CHARMM36 force field and pre-melted Ni NPs (Voter-Chen Embedded Atom Method potential) indicate a common dynamic heterogeneity, along with other features of glass-forming (GF) liquids such as collective atomic motion in the form of string-like atomic displacements, potential energy fluctuations and particle displacements with long range correlations (‘colored’ or ‘pink’ noise), and particle displacement events having a power law scaling in magnitude, as found in earthquakes. On the other hand, we find the dynamics of ubiquitin to be even more like a polycrystalline material in which the α-helix and β-sheet regions of the protein are similar to crystal grains so that the string-like collective atomic motion is concentrated in regions between the α-helix and β-sheet domains. PMID:28176808

Comparative Study of the Collective Dynamics of Proteins and Inorganic Nanoparticles

NASA Astrophysics Data System (ADS)

Haddadian, Esmael J.; Zhang, Hao; Freed, Karl F.; Douglas, Jack F.

2017-02-01

Molecular dynamics simulations of ubiquitin in water/glycerol solutions are used to test the suggestion by Karplus and coworkers that proteins in their biologically active state should exhibit a dynamics similar to ‘surface-melted’ inorganic nanoparticles (NPs). Motivated by recent studies indicating that surface-melted inorganic NPs are in a ‘glassy’ state that is an intermediate dynamical state between a solid and liquid, we probe the validity and significance of this proposed analogy. In particular, atomistic simulations of ubiquitin in solution based on CHARMM36 force field and pre-melted Ni NPs (Voter-Chen Embedded Atom Method potential) indicate a common dynamic heterogeneity, along with other features of glass-forming (GF) liquids such as collective atomic motion in the form of string-like atomic displacements, potential energy fluctuations and particle displacements with long range correlations (‘colored’ or ‘pink’ noise), and particle displacement events having a power law scaling in magnitude, as found in earthquakes. On the other hand, we find the dynamics of ubiquitin to be even more like a polycrystalline material in which the α-helix and β-sheet regions of the protein are similar to crystal grains so that the string-like collective atomic motion is concentrated in regions between the α-helix and β-sheet domains.

Local Viscoelastic Properties of Live Cells Investigated Using Dynamic and Quasi-Static Atomic Force Microscopy Methods

PubMed Central

Cartagena, Alexander; Raman, Arvind

2014-01-01

The measurement of viscoelasticity of cells in physiological environments with high spatio-temporal resolution is a key goal in cell mechanobiology. Traditionally only the elastic properties have been measured from quasi-static force-distance curves using the atomic force microscope (AFM). Recently, dynamic AFM-based methods have been proposed to map the local in vitro viscoelastic properties of living cells with nanoscale resolution. However, the differences in viscoelastic properties estimated from such dynamic and traditional quasi-static techniques are poorly understood. In this work we quantitatively reconstruct the local force and dissipation gradients (viscoelasticity) on live fibroblast cells in buffer solutions using Lorentz force excited cantilevers and present a careful comparison between mechanical properties (local stiffness and damping) extracted using dynamic and quasi-static force spectroscopy methods. The results highlight the dependence of measured viscoelastic properties on both the frequency at which the chosen technique operates as well as the interactions with subcellular components beyond certain indentation depth, both of which are responsible for differences between the viscoelasticity property maps acquired using the dynamic AFM method against the quasi-static measurements. PMID:24606928

Scattering of fast electrons by vapour-atoms and by solid-atoms - A comparison

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

Joshipura, K.N.; Mohanan, S.

1988-08-01

A comparative theoretical study has been done on the scattering of fast electrons by free (vapour) atoms and bound (solid) atoms, in particular, the alkali atoms, Al and Cu. The Born differential cross-sections (DCS), calculated with the static plus polarization electron-atom potential, are found in general, to be larger for free atoms that for bound atoms, at least at small angles of scattering. For Rb and Cs the two DCS tend to merge at very large angles only. The sample incident energies chosen are 400 eV and above.

Characterizing absolute piezoelectric microelectromechanical system displacement using an atomic force microscope

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

Evans, J., E-mail: radiant@ferrodevices.com; Chapman, S., E-mail: radiant@ferrodevices.com

Piezoresponse Force Microscopy (PFM) is a popular tool for the study of ferroelectric and piezoelectric materials at the nanometer level. Progress in the development of piezoelectric MEMS fabrication is highlighting the need to characterize absolute displacement at the nanometer and Ångstrom scales, something Atomic Force Microscopy (AFM) might do but PFM cannot. Absolute displacement is measured by executing a polarization measurement of the ferroelectric or piezoelectric capacitor in question while monitoring the absolute vertical position of the sample surface with a stationary AFM cantilever. Two issues dominate the execution and precision of such a measurement: (1) the small amplitude ofmore » the electrical signal from the AFM at the Ångstrom level and (2) calibration of the AFM. The authors have developed a calibration routine and test technique for mitigating the two issues, making it possible to use an atomic force microscope to measure both the movement of a capacitor surface as well as the motion of a micro-machine structure actuated by that capacitor. The theory, procedures, pitfalls, and results of using an AFM for absolute piezoelectric measurement are provided.« less

Interaction between single gold atom and the graphene edge: A study via aberration-corrected transmission electron microscopy

NASA Astrophysics Data System (ADS)

Wang, Hongtao; Li, Kun; Cheng, Yingchun; Wang, Qingxiao; Yao, Yingbang; Schwingenschlögl, Udo; Zhang, Xixiang; Yang, Wei

2012-04-01

Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms.Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms. Electronic supplementary information (ESI) available: Additional Figures for characterization of mono-layer CVD graphene samples with free edges and Pt atoms decorations and analysis of the effect of electron irradiation; supporting movie on edge evolution. See DOI: 10.1039/c2nr00059h

Combined static-dynamic compaction of metal powder and ceramic materials

NASA Astrophysics Data System (ADS)

Mironovs, V.; Korjakins, A.; Tatarinov, A.; Barone, E.; Glushchenkov, V.

2017-10-01

Combined static-dynamic compaction of powder material presents advantages for achievement of a higher degree of powder compaction for in dry conditions. One of possible realizations is the use of pulsed electromagnetic compaction (MPC) applied in addition to the static pre-compaction carried out by a hydraulic press. Experimental MPC equipment was used for compaction powders of SiC and Al-B with W fibers at different stages of grinding. The degree of compaction was evaluated by shock plate’s displacement at different levels and regimes of dynamic loading. The paper demonstrates feasibility of the method for compaction of the selected ceramic and metal powders and presents some quantitative data for practices.

Substrate Dependent Ad-Atom Migration on Graphene and the Impact on Electron-Beam Sculpting Functional Nanopores.

PubMed

Freedman, Kevin J; Goyal, Gaurav; Ahn, Chi Won; Kim, Min Jun

2017-05-10

The use of atomically thin graphene for molecular sensing has attracted tremendous attention over the years and, in some instances, could displace the use of classical thin films. For nanopore sensing, graphene must be suspended over an aperture so that a single pore can be formed in the free-standing region. Nanopores are typically drilled using an electron beam (e-beam) which is tightly focused until a desired pore size is obtained. E-beam sculpting of graphene however is not just dependent on the ability to displace atoms but also the ability to hinder the migration of ad-atoms on the surface of graphene. Using relatively lower e-beam fluxes from a thermionic electron source, the C-atom knockout rate seems to be comparable to the rate of carbon ad-atom attraction and accumulation at the e-beam/graphene interface (i.e., R knockout ≈ R accumulation ). Working at this unique regime has allowed the study of carbon ad-atom migration as well as the influence of various substrate materials on e-beam sculpting of graphene. We also show that this information was pivotal to fabricating functional graphene nanopores for studying DNA with increased spatial resolution which is attributed to atomically thin membranes.

Dual-modulation fiber Fabry-Perot interferometer with double reflection for slowly-varying displacements.

PubMed

Seat, H C; Chawah, P; Cattoen, M; Sourice, A; Plantier, G; Boudin, F; Chéry, J; Brunet, C; Bernard, P; Suleiman, M

2012-07-15

This Letter describes a dual-amplitude modulation technique incorporated into a double reflection extrinsic-type fiber Fabry-Perot interferometer to measure periodic, nonperiodic as well as quasi-static displacements. The modulation scheme simultaneously maintains the interference signal pair in quadrature and provides a reference signal for displacements inferior to a quarter of the source wavelength. The control and phase demodulation of the interferometer carried out via software enable quasi-real-time measurement and facilitates sensor alignment. The sensor system can be exploited in the low frequency range from 10(-3) to ∼500 Hz and has a resolution better than 2.2 nm, targeting applications in geophysics.

Comparative surface dynamics of amorphous and semicrystalline polymer films

PubMed Central

Becker, James S.; Brown, Ryan D.; Killelea, Daniel R.; Yuan, Hanqiu; Sibener, S. J.

2011-01-01

The surface dynamics of amorphous and semicrystalline polymer films have been measured using helium atom scattering. Time-of-flight data were collected to resolve the elastic and inelastic scattering components in the diffuse scattering of neutral helium atoms from the surface of a thin poly(ethylene terephthalate) film. Debye–Waller attenuation was observed for both the amorphous and semicrystalline phases of the polymer by recording the decay of elastically scattered helium atoms with increasing surface temperature. Thermal attenuation measurements in the specular scattering geometry yielded perpendicular mean-square displacements of 2.7•10-4 Å2 K-1 and 3.1•10-4 Å2 K-1 for the amorphous and semicrystalline surfaces, respectively. The semicrystalline surface was consistently ∼15% softer than the amorphous across a variety of perpendicular momentum transfers. The Debye–Waller factors were also measured at off-specular angles to characterize the parallel mean-square displacements, which were found to increase by an order of magnitude over the perpendicular mean-square displacements for both surfaces. In contrast to the perpendicular motion, the semicrystalline state was ∼25% stiffer than the amorphous phase in the surface plane. These results were uniquely accessed through low-energy neutral helium atom scattering due to the highly surface-sensitive and nonperturbative nature of these interactions. The goal of tailoring the chemical and physical properties of complex advanced materials requires an improved understanding of interfacial dynamics, information that is obtainable through atomic beam scattering methods. PMID:20713734

Pursuit of the Kramers-Henneberger atom

NASA Astrophysics Data System (ADS)

Wei, Qi; Wang, Pingxiao; Kais, Sabre; Herschbach, Dudley

2017-09-01

Superstrong femtosecond pulsed lasers can profoundly alter electronic structure of atoms and molecules. The oscillating laser field drives one or more electrons almost free. When averaged over, the rapid oscillations combine with the static Coulomb potential to create an effective binding potential. The consequent array of bound states comprises the ;Kramers-Henneberger Atom;. Theorists have brought forth many properties of KH atoms, yet convincing experimental evidence is meager. We examine a remarkable experiment accelerating atoms (Eichmann et al., 2009). It offers tantalizing evidence for the KH atom, with prospects for firm confirmation by adjustment of laser parameters.

Quantum effect on the nucleation of plastic deformation carriers and destruction in crystals

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

Khon, Yury A., E-mail: khon@ispms.tsc.ru; Kaminskii, Petr P., E-mail: ppk@ispms.tsc.ru

2015-10-27

New concepts on the irreversible crystal deformation as a structure transformation caused by a change in interatomic interactions at fluctuations of the electron density under loading are described. The change in interatomic interactions lead to the excitation of dynamical displacements of atoms. A model and a theory of a deformable pristine crystal taking into account the excitation of thermally activated and dynamical displacements of atoms are suggested. New mechanisms of the nucleation of plastic deformation carriers and destruction in pristine crystals at the real value of the deforming stress are studied.

An under-designed RC frame: Seismic assessment through displacement based approach and possible refurbishment with FRP strips and RC jacketing

NASA Astrophysics Data System (ADS)

Valente, Marco; Milani, Gabriele

2017-07-01

Many existing reinforced concrete buildings in Southern Europe were built (and hence designed) before the introduction of displacement based design in national seismic codes. They are obviously highly vulnerable to seismic actions. In such a situation, simplified methodologies for the seismic assessment and retrofitting of existing structures are required. In this study, a displacement based procedure using non-linear static analyses is applied to a four-story existing RC frame. The aim is to obtain an estimation of its overall structural inadequacy as well as the effectiveness of a specific retrofitting intervention by means of GFRP laminates and RC jacketing. Accurate numerical models are developed within a displacement based approach to reproduce the seismic response of the RC frame in the original configuration and after strengthening.

Studies of earthquakes and microearthquakes using near-field seismic and geodetic observations

NASA Astrophysics Data System (ADS)

O'Toole, Thomas Bartholomew

The Centroid-Moment Tensor (CMT) method allows an optimal point-source description of an earthquake to be recovered from a set of seismic observations, and, for over 30 years, has been routinely applied to determine the location and source mechanism of teleseismically recorded earthquakes. The CMT approach is, however, entirely general: any measurements of seismic displacement fields could, in theory, be used within the CMT inversion formulation, so long as the treatment of the earthquake as a point source is valid for that data. We modify the CMT algorithm to enable a variety of near-field seismic observables to be inverted for the source parameters of an earthquake. The first two data types that we implement are provided by Global Positioning System receivers operating at sampling frequencies of 1,Hz and above. When deployed in the seismic near field, these instruments may be used as long-period-strong-motion seismometers, recording displacement time series that include the static offset. We show that both the displacement waveforms, and static displacements alone, can be used to obtain CMT solutions for moderate-magnitude earthquakes, and that performing analyses using these data may be useful for earthquake early warning. We also investigate using waveform recordings - made by conventional seismometers deployed at the surface, or by geophone arrays placed in boreholes - to determine CMT solutions, and their uncertainties, for microearthquakes induced by hydraulic fracturing. A similar waveform inversion approach could be applied in many other settings where induced seismicity and microseismicity occurs..

Nonlinear dynamic characteristics of dielectric elastomer membranes

NASA Astrophysics Data System (ADS)

Fox, Jason W.; Goulbourne, Nakhiah C.

2008-03-01

The dynamic response of dielectric elastomer membranes subject to time-varying voltage inputs for various initial inflation states is investigated. These results provide new insight into the differences observed between quasi-static and dynamic actuation and presents a new challenge to modeling efforts. Dielectric elastomer membranes are a potentially enabling technology for soft robotics and biomedical devices such as implants and surgical tools. In this work, two key system parameters are varied: the chamber volume and the voltage signal offset. The chamber volume experiments reveal that increasing the size of the chamber onto which the membrane is clamped will increase the deformations as well as cause the membrane's resonance peaks to shift and change in number. For prestretched dielectric elastomer membranes at the smallest chamber volume, the maximum actuation displacement is 81 microns; while at the largest chamber volume, the maximum actuation displacement is 1431 microns. This corresponds to a 1767% increase in maximum pole displacement. In addition, actuating the membrane at the resonance frequencies provides hundreds of percent increase in strain compared to the quasi-static strain. Adding a voltage offset to the time-varying input signal causes the membrane to oscillate at two distinct frequencies rather than one and also presents a unique opportunity to increase the output displacement without electrically overloading the membrane. Experiments to capture the entire motion of the membrane reveal that classical membrane mode shapes are electrically generated although all points of the membrane do not pass through equilibrium at the same moments in time.

Interactions of cephalexin with bovine serum albumin: displacement reaction and molecular docking.

PubMed

Hamishehkar, Hamed; Hosseini, Soheila; Naseri, Abdolhossein; Safarnejad, Azam; Rasoulzadeh, Farzaneh

2016-01-01

Introduction: The drug-plasma protein interaction is a fundamental issue in guessing and checking the serious drug side effects related with other drugs. The purpose of this research was to study the interaction of cephalexin with bovine serum albumin (BSA) and displacement reaction using site probes. Methods: The interaction mechanism concerning cephalexin (CPL) with BSA was investigated using various spectroscopic methods and molecular modeling method. The binding sites number, n, apparent binding constant, K, and thermodynamic parameters, ΔG 0 , ΔH 0 , and ΔS 0 were considered at different temperatures. To evaluate the experimental results, molecular docking modeling was calculated. Results: The distance, r=1.156 nm between BSA and CPL were found in accordance with the Forster theory of non-radiation energy transfer (FRET) indicating energy transfer occurs between BSA and CPL. According to the binding parameters and ΔG 0 = negative values and ΔS 0 = 28.275 j mol -1 K -1 , a static quenching process is effective in the CPL-BSA interaction spontaneously. ΔG 0 for the CPL-BSA complex obtained from the docking simulation is -28.99 kj mol -1 , which is close to experimental ΔG of binding, -21.349 kj mol -1 that indicates a good agreement between the results of docking methods and experimental data. Conclusion: The outcomes of spectroscopic methods revealed that the conformation of BSA changed during drug-BSA interaction. The results of FRET propose that CPL quenches the fluorescence of BSA by static quenching and FRET. The displacement study showed that phenylbutazon and ketoprofen displaced CPL, indicating that its binding site on albumin is site I and Gentamicin cannot be displaced from the binding site of CPL. All results of molecular docking method agreed with the results of experimental data.

Load monitoring of aerospace structures utilizing micro-electro-mechanical systems for static and quasi-static loading conditions

NASA Astrophysics Data System (ADS)

Martinez, M.; Rocha, B.; Li, M.; Shi, G.; Beltempo, A.; Rutledge, R.; Yanishevsky, M.

2012-11-01

The National Research Council Canada (NRC) has worked on the development of structural health monitoring (SHM) test platforms for assessing the performance of sensor systems for load monitoring applications. The first SHM platform consists of a 5.5 m cantilever aluminum beam that provides an optimal scenario for evaluating the ability of a load monitoring system to measure bending, torsion and shear loads. The second SHM platform contains an added level of structural complexity, by consisting of aluminum skins with bonded/riveted stringers, typical of an aircraft lower wing structure. These two load monitoring platforms are well characterized and documented, providing loading conditions similar to those encountered during service. In this study, a micro-electro-mechanical system (MEMS) for acquiring data from triads of gyroscopes, accelerometers and magnetometers is described. The system was used to compute changes in angles at discrete stations along the platforms. The angles obtained from the MEMS were used to compute a second, third or fourth order degree polynomial surface from which displacements at every point could be computed. The use of a new Kalman filter was evaluated for angle estimation, from which displacements in the structure were computed. The outputs of the newly developed algorithms were then compared to the displacements obtained from the linear variable displacement transducers connected to the platforms. The displacement curves were subsequently post-processed either analytically, or with the help of a finite element model of the structure, to estimate strains and loads. The estimated strains were compared with baseline strain gauge instrumentation installed on the platforms. This new approach for load monitoring was able to provide accurate estimates of applied strains and shear loads.

Vibrational properties of nanocrystals from the Debye Scattering Equation

DOE PAGES

Scardi, P.; Gelisio, L.

2016-02-26

One hundred years after the original formulation by Petrus J.W. Debije (aka Peter Debye), the Debye Scattering Equation (DSE) is still the most accurate expression to model the diffraction pattern from nanoparticle systems. A major limitation in the original form of the DSE is that it refers to a static domain, so that including thermal disorder usually requires rescaling the equation by a Debye-Waller thermal factor. The last is taken from the traditional diffraction theory developed in Reciprocal Space (RS), which is opposed to the atomistic paradigm of the DSE, usually referred to as Direct Space (DS) approach. Besides beingmore » a hybrid of DS and RS expressions, rescaling the DSE by the Debye-Waller factor is an approximation which completely misses the contribution of Temperature Diffuse Scattering (TDS). The present work proposes a solution to include thermal effects coherently with the atomistic approach of the DSE. Here, a deeper insight into the vibrational dynamics of nanostructured materials can be obtained with few changes with respect to the standard formulation of the DSE, providing information on the correlated displacement of vibrating atoms.« less

Theory of Single-Impact Atomic Force Spectroscopy in liquids with material contrast.

PubMed

López-Guerra, Enrique A; Banfi, Francesco; Solares, Santiago D; Ferrini, Gabriele

2018-05-14

Scanning probe microscopy has enabled nanoscale mapping of mechanical properties in important technological materials, such as tissues, biomaterials, polymers, nanointerfaces of composite materials, to name only a few. To improve and widen the measurement of nanoscale mechanical properties, a number of methods have been proposed to overcome the widely used force-displacement mode, that is inherently slow and limited to a quasi-static regime, mainly using multiple sinusoidal excitations of the sample base or of the cantilever. Here, a different approach is put forward. It exploits the unique capabilities of the wavelet transform analysis to harness the information encoded in a short duration spectroscopy experiment. It is based on an impulsive excitation of the cantilever and a single impact of the tip with the sample. It performs well in highly damped environments, which are often seen as problematic in other standard dynamic methods. Our results are very promising in terms of viscoelastic property discrimination. Their potential is oriented (but not limited) to samples that demand imaging in liquid native environments and also to highly vulnerable samples whose compositional mapping cannot be obtained through standard tapping imaging techniques.

Oxygen Displacement in Cuprates under IonicLiquid Field-Effect Gating

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

Dubuis, Guy; Yacoby, Yizhak; Zhou, Hua

We studied structural changes in a 5 unit cell thick La 1.96Sr 0.04CuO 4 film, epitaxially grown on a LaSrAlO 4 substrate with a single unit cell buffer layer, when ultra-high electric fields were induced in the film by applying a gate voltage between the film and an ionic liquid in contact with it. Measuring the diffraction intensity along the substrate-defined Bragg rods and analyzing the results using a phase retrieval method we obtained the three-dimensional electron density in the film, buffer layer, and topmost atomic layers of the substrate under different applied gate voltages. The main structural observations were:more » (i) there were no structural changes when the voltage was negative, holes were injected into the film making it more metallic and screening the electric field; (ii) when the voltage was positive, the film was depleted of holes becoming more insulating, the electric field extended throughout the film, the partial surface monolayer became disordered, and planar oxygen atoms were displaced towards the sample surface; (iii) the changes in surface disorder and the oxygen displacements were both reversed when a negative voltage was applied; and (iv) the c-axis lattice constant of the film did not change in spite of the displacement of planar oxygen atoms.« less

Oxygen Displacement in Cuprates under IonicLiquid Field-Effect Gating

DOE PAGES

Dubuis, Guy; Yacoby, Yizhak; Zhou, Hua; ...

2016-08-15

We studied structural changes in a 5 unit cell thick La 1.96Sr 0.04CuO 4 film, epitaxially grown on a LaSrAlO 4 substrate with a single unit cell buffer layer, when ultra-high electric fields were induced in the film by applying a gate voltage between the film and an ionic liquid in contact with it. Measuring the diffraction intensity along the substrate-defined Bragg rods and analyzing the results using a phase retrieval method we obtained the three-dimensional electron density in the film, buffer layer, and topmost atomic layers of the substrate under different applied gate voltages. The main structural observations were:more » (i) there were no structural changes when the voltage was negative, holes were injected into the film making it more metallic and screening the electric field; (ii) when the voltage was positive, the film was depleted of holes becoming more insulating, the electric field extended throughout the film, the partial surface monolayer became disordered, and planar oxygen atoms were displaced towards the sample surface; (iii) the changes in surface disorder and the oxygen displacements were both reversed when a negative voltage was applied; and (iv) the c-axis lattice constant of the film did not change in spite of the displacement of planar oxygen atoms.« less

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

Levin, I.; Krayzman, V.; Woicik, J. C.

Local structures in cubic perovskite-type (Ba 0.6Bi 0.4)(Ti 0.6Sc 0.4)O 3 solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-centermore » displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-field values of 4 kVmm -1.« less

Hybrid Organic–Inorganic Perovskites on the Move

PubMed Central

2016-01-01

Conspectus Hybrid organic–inorganic perovskites (HOIPs) are crystals with the structural formula ABX3, where A, B, and X are organic and inorganic ions, respectively. While known for several decades, HOIPs have only in recent years emerged as extremely promising semiconducting materials for solar energy applications. In particular, power-conversion efficiencies of HOIP-based solar cells have improved at a record speed and, after only little more than 6 years of photovoltaics research, surpassed the 20% threshold, which is an outstanding result for a solution-processable material. It is thus of fundamental importance to reveal physical and chemical phenomena that contribute to, or limit, these impressive photovoltaic efficiencies. To understand charge-transport and light-absorption properties of semiconducting materials, one often invokes a lattice of ions displaced from their static positions only by harmonic vibrations. However, a preponderance of recent studies suggests that this picture is not sufficient for HOIPs, where a variety of structurally dynamic effects, beyond small harmonic vibrations, arises already at room temperature. In this Account, we focus on these effects. First, we review structure and bonding in HOIPs and relate them to the promising charge-transport and absorption properties of these materials, in terms of favorable electronic properties. We point out that HOIPs are much “softer” mechanically, compared to other efficient solar-cell materials, and that this can result in large ionic displacements at room temperature. We therefore focus next on dynamic structural effects in HOIPs, going beyond a static band-structure picture. Specifically, we discuss pertinent experimental and theoretical findings as to phase-transition behavior and molecular/octahedral rearrangements. We then discuss atomic diffusion phenomena in HOIPs, with an emphasis on the migration of intrinsic and extrinsic ionic species. From this combined perspective, HOIPs appear as highly dynamic materials, in which structural fluctuations and long-range ionic motion have an unusually strong impact on charge-transport and optical properties. We highlight the potential implications of these effects for several intriguing phenomenological observations, ranging from scattering mechanisms and lifetimes of charge carriers to light-induced structural effects and ionic conduction. PMID:26878152

Static and dynamic strain energy release rates in toughened thermosetting composite laminates

NASA Technical Reports Server (NTRS)

Cairns, Douglas S.

1992-01-01

In this work, the static and dynamic fracture properties of several thermosetting resin based composite laminates are presented. Two classes of materials are explored. These are homogeneous, thermosetting resins and toughened, multi-phase, thermosetting resin systems. Multi-phase resin materials have shown enhancement over homogenous materials with respect to damage resistance. The development of new dynamic tests are presented for composite laminates based on Width Tapered Double Cantilevered Beam (WTDCB) for Mode 1 fracture and the End Notched Flexure (ENF) specimen. The WTDCB sample was loaded via a low inertia, pneumatic cylinder to produce rapid cross-head displacements. A high rate, piezo-electric load cell and an accelerometer were mounted on the specimen. A digital oscilloscope was used for data acquisition. Typical static and dynamic load versus displacement plots are presented. The ENF specimen was impacted in three point bending with an instrumented impact tower. Fracture initiation and propagation energies under static and dynamic conditions were determined analytically and experimentally. The test results for Mode 1 fracture are relatively insensitive to strain rate effects for the laminates tested in this study. The test results from Mode 2 fracture indicate that the toughened systems provide superior fracture initiation and higher resistance to propagation under dynamic conditions. While the static fracture properties of the homogeneous systems may be relatively high, the apparent Mode 2 dynamic critical strain energy release rate drops significantly. The results indicate that static Mode 2 fracture testing is inadequate for determining the fracture performance of composite structures subjected to conditions such as low velocity impact. A good correlation between the basic Mode 2 dynamic fracture properties and the performance is a combined material/structural Compression After Impact (CAI) test is found. These results underscore the importance of examining rate-dependent behavior for determining the longevity of structures manufactured from composite materials.

Static and dynamic behaviour of nonlocal elastic bar using integral strain-based and peridynamic models

NASA Astrophysics Data System (ADS)

Challamel, Noël

2018-04-01

The static and dynamic behaviour of a nonlocal bar of finite length is studied in this paper. The nonlocal integral models considered in this paper are strain-based and relative displacement-based nonlocal models; the latter one is also labelled as a peridynamic model. For infinite media, and for sufficiently smooth displacement fields, both integral nonlocal models can be equivalent, assuming some kernel correspondence rules. For infinite media (or finite media with extended reflection rules), it is also shown that Eringen's differential model can be reformulated into a consistent strain-based integral nonlocal model with exponential kernel, or into a relative displacement-based integral nonlocal model with a modified exponential kernel. A finite bar in uniform tension is considered as a paradigmatic static case. The strain-based nonlocal behaviour of this bar in tension is analyzed for different kernels available in the literature. It is shown that the kernel has to fulfil some normalization and end compatibility conditions in order to preserve the uniform strain field associated with this homogeneous stress state. Such a kernel can be built by combining a local and a nonlocal strain measure with compatible boundary conditions, or by extending the domain outside its finite size while preserving some kinematic compatibility conditions. The same results are shown for the nonlocal peridynamic bar where a homogeneous strain field is also analytically obtained in the elastic bar for consistent compatible kinematic boundary conditions at the vicinity of the end conditions. The results are extended to the vibration of a fixed-fixed finite bar where the natural frequencies are calculated for both the strain-based and the peridynamic models.

A low-voltage three-axis electromagnetically actuated micromirror for fine alignment among optical devices

NASA Astrophysics Data System (ADS)

Cho, Il-Joo; Yoon, Euisik

2009-08-01

In this paper, a new three-axis electromagnetically actuated micromirror structure has been proposed and fabricated. It is electromagnetically actuated at low voltage using an external magnetic field. The main purpose of this work was to obtain a three-axis actuated micromirror in a mechanically robust structure with large static angular and vertical displacement at low actuation voltage for fine alignment among optical components in an active alignment module as well as conventional optical systems. The mirror plate and torsion bars are made of bulk silicon using a SOI wafer, and the actuation coils are made of electroplated Au. The maximum static deflection angles were measured as ±4.2° for x-axis actuation and ±9.2° for y-axis actuation, respectively. The maximum static vertical displacement was measured as ±42 µm for z-axis actuation. The actuation voltages were below 3 V for all actuation. The simulated resonant frequencies are several kHz, and these imply that the fabricated micromirror can be operated in sub-millisecond order. The measured radius of curvature (ROC) of the fabricated micromirror is 7.72 cm, and the surface roughness of the reflector is below 1.29 nm which ensure high optical performance such as high directionality and reflectivity. The fabricated micromirror has demonstrated large actuated displacement at low actuation voltage, and it enables us to compensate a larger misalignment value when it is used in an active alignment module. The robust torsion bar and lifting bar structure formed by bulk silicon allowed the proposed micromirror to have greater operating stability. The additional degree of freedom with z-axis actuation can decrease the difficulty in the assembly of optical components and increase the coupling efficiency between optical components.

Lateral-Torsional Buckling Instability Caused by Individuals Walking on Wood Composite I-Joists

NASA Astrophysics Data System (ADS)

Villasenor Aguilar, Jose Maria

Recent research has shown that a significant number of the falls from elevation occur when laborers are working on unfinished structures. Workers walking on wood I-joists on roofs and floors are prone to fall hazards. Wood I-joists have been replacing dimension lumber for many floor systems and a substantial number of roof systems in light-frame construction. Wood I-joists are designed to resist axial stresses on the flanges and shear stresses on the web while minimizing material used. However, wood I-joists have poor resistance to applied lateral and torsional loads and are susceptible to lateral-torsional buckling instability. Workers walking on unbraced or partially braced wood I-joists can induce axial and lateral forces as well as twist. Experimental testing demonstrated that workers cause lateral-torsional buckling instability in wood I-joists. However, no research was found related to the lateral-torsional buckling instability induced by individuals walking on the wood I-joists. Furthermore, no research was found considering the effects of the supported end conditions and partial bracing in the lateral-torsional buckling instability of wood I-joists. The goal of this research was to derive mathematical models to predict the dynamic lateral-torsional buckling instability of wood composite I-joists loaded by individuals walking considering different supported end conditions and bracing system configurations. The dynamic lateral-torsional buckling instability was analyzed by linearly combining the static lateral-torsional buckling instability with the lateral bending motion of the wood Ijoists. Mathematical models were derived to calculate the static critical loads for the simply supported end condition and four wood I-joist hanger supported end conditions. Additionally, mathematical models were derived to calculate the dynamic maximum lateral displacements and positions of the individual walking on the wood Ijoists for the same five different supported end conditions. Three different lean-on bracing systems were investigated, non-bracing, one-bracing, and two-bracing systems. Mathematical models were derived to calculate the amount of constraint due to the lean-on bracing system. The derived mathematical models were validated by comparison to data from testing for all supported end conditions and bracing systems. The predicted critical loads using the static buckling theoretical models for the non-bracing system and the static buckling theoretical models combined with the bracing theoretical models for the simply and hanger supported end conditions agreed well with the critical loads obtained from testing for the two wood I-joist sizes investigated. The predicted maximum lateral displacements and individual positions using the bending motion theoretical models for the simply and hanger supported end conditions agreed well with the corresponding maximum lateral displacements and individual positions obtained from testing for both wood I-joist sizes. Results showed that; a) the supported end condition influenced the critical loads, maximum lateral displacements and individual positions, b) the bracing system increased the critical loads and reduced the maximum lateral displacements, c) the critical load increased as the load position displaced away from the wood I-joist mid-span, d) the critical load reduced as the initial lateral displacement of the wood I-joist increased and e) the wood I-joist mid-span was the critical point in the dynamic lateral-torsional buckling instability.

Reflection and diffraction corrections for nonlinear materials characterization by quasi-static pulse measurement

NASA Astrophysics Data System (ADS)

Nagy, Peter B.; Qu, Jianmin; Jacobs, Laurence J.

2014-02-01

A harmonic acoustic tone burst propagating through an elastic solid with quadratic nonlinearity produces not only a parallel burst of second harmonic but also an often neglected quasi-static pulse associated with the acoustic radiation-induced eigenstrain. Although initial analytical and experimental studies by Yost and Cantrell suggested that the pulse might have a right-angled triangular shape with the peak displacement at the leading edge being proportional to the length of the tone burst, more recent theoretical, analytical, numerical, and experimental studies proved that the pulse has a flat-top shape and the peak displacement is proportional to the propagation length. In this paper, analytical and numerical simulation results are presented to illustrate two types of finite-size effects. First, the finite axial dimension of the specimen cannot be simply accounted for by a linear reflection coefficient that neglects the nonlinear interaction between the combined incident and reflected fields. Second, the quasistatic pulse generated by a transducer of finite aperture suffers more severe divergence than both the fundamental and second harmonic pulses generated by the same transducer. These finite-size effects can make the top of the quasi-static pulse sloped rather than flat and therefore must be taken into consideration in the interpretation of experimental data.

Reflection and diffraction corrections for nonlinear materials characterization by quasi-static pulse measurement

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

Nagy, Peter B.; Qu, Jianmin; Jacobs, Laurence J.

A harmonic acoustic tone burst propagating through an elastic solid with quadratic nonlinearity produces not only a parallel burst of second harmonic but also an often neglected quasi-static pulse associated with the acoustic radiation-induced eigenstrain. Although initial analytical and experimental studies by Yost and Cantrell suggested that the pulse might have a right-angled triangular shape with the peak displacement at the leading edge being proportional to the length of the tone burst, more recent theoretical, analytical, numerical, and experimental studies proved that the pulse has a flat-top shape and the peak displacement is proportional to the propagation length. In thismore » paper, analytical and numerical simulation results are presented to illustrate two types of finite-size effects. First, the finite axial dimension of the specimen cannot be simply accounted for by a linear reflection coefficient that neglects the nonlinear interaction between the combined incident and reflected fields. Second, the quasistatic pulse generated by a transducer of finite aperture suffers more severe divergence than both the fundamental and second harmonic pulses generated by the same transducer. These finite-size effects can make the top of the quasi-static pulse sloped rather than flat and therefore must be taken into consideration in the interpretation of experimental data.« less

Static and (quasi)dynamic calibration of stroboscopic scanning white light interferometer

NASA Astrophysics Data System (ADS)

Seppä, Jeremias; Kassamakov, Ivan; Nolvi, Anton; Heikkinen, Ville; Paulin, Tor; Lassila, Antti; Hao, Ling; Hæggsröm, Edward

2013-04-01

A scanning white light interferometer can characterize out of plane features and motion in M(N)EMS devices. Like any other form and displacement measuring instrument, the scanning interferometer results should be linked to the metre definition to be comparable and unambiguous. Traceability is built up by careful error characterization and calibration of the interferometer. The main challenge in this calibration is to have a reference device producing accurate and reproducible dynamic out-of-plane displacement when submitted to standard loads. We use a flat mirror attached to a piezoelectric transducer for static and (quasi)dynamic calibration of a stroboscopic scanning light interferometer. First we calibrated the piezo-scanned flexure guided transducer stage using a symmetric differential heterodyne laser interferometer developed at the Centre for Metrology and Accreditation (MIKES). The standard uncertainty of the piezo stage motion calibration was 3.0 nm. Then we used the piezo-stage as a transfer standard to calibrate our stroboscopic interferometer whose light source was pulsed at 200 Hz and 400 Hz with 0.5% duty cycle. We measured the static position and (quasi)dynamic motion of the attached mirror relative to a reference surface. This methodology permits calibrating the vertical scale of the stroboscopic scanning white light interferometer.

Influence of stability of polymer surfactant on oil displacement mechanism

NASA Astrophysics Data System (ADS)

Liu, Li; Li, Chengliang; Pi, Yanming; Wu, Di; He, Ying; Geng, Liang

2018-02-01

At present, most of the oilfields of China have entered the late stage of high water-cut development, and three oil recovery technique has become the leading technology for improving oil recovery. With the improvement of three oil recovery techniques, the polymer surfactant flooding technology has been widely promoted in oil fields in recent years. But in the actual field experiment, it has been found that the polymer surfactant has chromatographic separation at the extraction end, which indicates that the property of the polymer surfactant has changed during the displacement process. At present, there was few literature about how the stability of polymer surfactant affects the oil displacement mechanism. This paper used HuaDing-I polymer surfactant to conduct a micro photolithography glass flooding experiment, and then compared the oil displacement law of polymer surfactant before and after static setting. Finally, the influence law of stability of polymer surfactant on the oil displacement mechanism is obtained by comprehensive analysis.

Demonstration of Vibrational Braille Code Display Using Large Displacement Micro-Electro-Mechanical Systems Actuators

NASA Astrophysics Data System (ADS)

Watanabe, Junpei; Ishikawa, Hiroaki; Arouette, Xavier; Matsumoto, Yasuaki; Miki, Norihisa

2012-06-01

In this paper, we present a vibrational Braille code display with large-displacement micro-electro-mechanical systems (MEMS) actuator arrays. Tactile receptors are more sensitive to vibrational stimuli than to static ones. Therefore, when each cell of the Braille code vibrates at optimal frequencies, subjects can recognize the codes more efficiently. We fabricated a vibrational Braille code display that used actuators consisting of piezoelectric actuators and a hydraulic displacement amplification mechanism (HDAM) as cells. The HDAM that encapsulated incompressible liquids in microchambers with two flexible polymer membranes could amplify the displacement of the MEMS actuator. We investigated the voltage required for subjects to recognize Braille codes when each cell, i.e., the large-displacement MEMS actuator, vibrated at various frequencies. Lower voltages were required at vibration frequencies higher than 50 Hz than at vibration frequencies lower than 50 Hz, which verified that the proposed vibrational Braille code display is efficient by successfully exploiting the characteristics of human tactile receptors.

Cytochrome C in a dry trehalose matrix: structural and dynamical effects probed by x-ray absorption spectroscopy.

PubMed

Giachini, Lisa; Francia, Francesco; Cordone, Lorenzo; Boscherini, Federico; Venturoli, Giovanni

2007-02-15

We report on the structure and dynamics of the Fe ligand cluster of reduced horse heart cytochrome c in solution, in a dried polyvinyl alcohol (PVA) film, and in two trehalose matrices characterized by different contents of residual water. The effect of the solvent/matrix environment was studied at room temperature using Fe K-edge x-ray absorption fine structure (XAFS) spectroscopy. XAFS data were analyzed by combining ab initio simulations and multi-parameter fitting in an attempt to disentangle structural from disorder parameters. Essentially the same structural and disorder parameters account adequately for the XAFS spectra measured in solution, both in the absence and in the presence of glycerol, and in the PVA film, showing that this polymer interacts weakly with the embedded protein. Instead, incorporation in trehalose leads to severe structural changes, more prominent in the more dried matrix, consisting of 1), an increase up to 0.2 A of the distance between Fe and the imidazole N atom of the coordinating histidine residue and 2), an elongation up to 0.16 A of the distance between Fe and the fourth-shell C atoms of the heme pyrrolic units. These structural distortions are accompanied by a substantial decrease of the relative mean-square displacements of the first ligands. In the extensively dried trehalose matrix, extremely low values of the Debye Waller factors are obtained for the pyrrolic and for the imidazole N atoms. This finding is interpreted as reflecting a drastic hindering in the relative motions of the Fe ligand cluster atoms and an impressive decrease in the static disorder of the local Fe structure. It appears, therefore, that the dried trehalose matrix dramatically perturbs the energy landscape of cytochrome c, giving rise, at the level of local structure, to well-resolved structural distortions and restricting the ensemble of accessible conformational substates.

Assessing Videogrammetry for Static Aeroelastic Testing of a Wind-Tunnel Model

NASA Technical Reports Server (NTRS)

Spain, Charles V.; Heeg, Jennifer; Ivanco, Thomas G.; Barrows, Danny A.; Florance, James R.; Burner, Alpheus W.; DeMoss, Joshua; Lively, Peter S.

2004-01-01

The Videogrammetric Model Deformation (VMD) technique, developed at NASA Langley Research Center, was recently used to measure displacements and local surface angle changes on a static aeroelastic wind-tunnel model. The results were assessed for consistency, accuracy and usefulness. Vertical displacement measurements and surface angular deflections (derived from vertical displacements) taken at no-wind/no-load conditions were analyzed. For accuracy assessment, angular measurements were compared to those from a highly accurate accelerometer. Shewhart's Variables Control Charts were used in the assessment of consistency and uncertainty. Some bad data points were discovered, and it is shown that the measurement results at certain targets were more consistent than at other targets. Physical explanations for this lack of consistency have not been determined. However, overall the measurements were sufficiently accurate to be very useful in monitoring wind-tunnel model aeroelastic deformation and determining flexible stability and control derivatives. After a structural model component failed during a highly loaded condition, analysis of VMD data clearly indicated progressive structural deterioration as the wind-tunnel condition where failure occurred was approached. As a result, subsequent testing successfully incorporated near- real-time monitoring of VMD data in order to ensure structural integrity. The potential for higher levels of consistency and accuracy through the use of statistical quality control practices are discussed and recommended for future applications.

Investigation into Z-Pin Reinforced Composite Skin/Stiffener Debond under Monotonic and Cyclic Bending

NASA Astrophysics Data System (ADS)

Zhang, Xiangyang; Li, Yong; Van Hoa, Suong; Xiao, Jun; Chu, Qiyi

2018-02-01

Skin/stiffener debonding has been a longstanding concern for the users of stiffened composite panels in long-term service. Z-pinning technology is an emerging solution to reinforce the composite assembly joints. This work experimentally characterizes the progressive debonding of Z-pinned skin/stiffener interface with the skin under static bend loading. The three-stage failure process is identified as: flange edge debonding, pin/laminate debonding, and ultimate structural failure. Three different distribution patterns were compared in terms of the static debonding properties revealed the affirmative fact that locating pins in high normal stress regions, that is close to the flange edges in skin/stiffener structures, is more beneficial to utilize the full potential of Z-pinning reinforcement. The unit strip FE model was developed and demonstrated effective to analysis the effect of Z-pin distribution on the ultimate debond load. On the other hand, the evolution of fatigue cracks at Z-pinned skin/flange interface was investigated with a series of displacement-controlled fatigue bending tests and microscopic observations. Results show that Z-pinning postpones crack initiations at low displacement levels, and the remarkable crack-arresting function of pins enables the structure a prolonged fatigue life. However, pins become less effective when the maximum displacement exceeds the crack initiation level due to gradually pullout of pins.

Strike-slip earthquakes can also be detected in the ionosphere

NASA Astrophysics Data System (ADS)

Astafyeva, Elvira; Rolland, Lucie M.; Sladen, Anthony

2014-11-01

It is generally assumed that co-seismic ionospheric disturbances are generated by large vertical static displacements of the ground during an earthquake. Consequently, it is expected that co-seismic ionospheric disturbances are only observable after earthquakes with a significant dip-slip component. Therefore, earthquakes dominated by strike-slip motion, i.e. with very little vertical co-seismic component, are not expected to generate ionospheric perturbations. In this work, we use total electron content (TEC) measurements from ground-based GNSS-receivers to study ionospheric response to six recent largest strike-slip earthquakes: the Mw7.8 Kunlun earthquake of 14 November 2001, the Mw8.1 Macquarie earthquake of 23 December 2004, the Sumatra earthquake doublet, Mw8.6 and Mw8.2, of 11 April 2012, the Mw7.7 Balochistan earthquake of 24 September 2013 and the Mw 7.7 Scotia Sea earthquake of 17 November 2013. We show that large strike-slip earthquakes generate large ionospheric perturbations of amplitude comparable with those induced by dip-slip earthquakes of equivalent magnitude. We consider that in the absence of significant vertical static co-seismic displacements of the ground, other seismological parameters (primarily the magnitude of co-seismic horizontal displacements, seismic fault dimensions, seismic slip) may contribute in generation of large-amplitude ionospheric perturbations.

Reorganization of a dense granular assembly: The unjamming response function

NASA Astrophysics Data System (ADS)

Kolb, Évelyne; Cviklinski, Jean; Lanuza, José; Claudin, Philippe; Clément, Éric

2004-03-01

We investigate the mechanical properties of a static dense granular assembly in response to a local forcing. To this end, a small cyclic displacement is applied on a grain in the bulk of a two-dimensional disordered packing under gravity and the displacement fields are monitored. We evidence a dominant long range radial response in the upper half part above the solicitation and after a large number of cycles the response is “quasireversible” with a remanent dissipation field exhibiting long range streams and vortexlike symmetry.

Temperature dependent local atomic displacements in ammonia intercalated iron selenide superconductor

NASA Astrophysics Data System (ADS)

Paris, E.; Simonelli, L.; Wakita, T.; Marini, C.; Lee, J.-H.; Olszewski, W.; Terashima, K.; Kakuto, T.; Nishimoto, N.; Kimura, T.; Kudo, K.; Kambe, T.; Nohara, M.; Yokoya, T.; Saini, N. L.

2016-06-01

Recently, ammonia-thermal reaction has been used for molecular intercalation in layered FeSe, resulting a new Lix(NH3)yFe2Se2 superconductor with Tc ~ 45 K. Here, we have used temperature dependent extended x-ray absorption fine structure (EXAFS) to investigate local atomic displacements in single crystals of this new superconductor. Using polarized EXAFS at Fe K-edge we have obtained direct information on the local Fe-Se and Fe-Fe bondlengths and corresponding mean square relative displacements (MSRD). We find that the Se-height in the intercalated system is lower than the one in the binary FeSe, suggesting compressed FeSe4 tetrahedron in the title system. Incidentally, there is hardly any effect of the intercalation on the bondlengths characteristics, revealed by the Einstein temperatures, that are similar to those found in the binary FeSe. Therefore, the molecular intercalation induces an effective compression and decouples the FeSe slabs. Furthermore, the results reveal an anomalous change in the atomic correlations across Tc, appearing as a clear decrease in the MSRD, indicating hardening of the local lattice mode. Similar response of the local lattice has been found in other families of superconductors, e.g., A15-type and cuprates superconductors. This observation suggests that local atomic correlations should have some direct correlation with the superconductivity.

Electrostatics of the protein-water interface and the dynamical transition in proteins.

PubMed

Matyushov, Dmitry V; Morozov, Alexander Y

2011-07-01

Atomic displacements of hydrated proteins are dominated by phonon vibrations at low temperatures and by dissipative large-amplitude motions at high temperatures. A crossover between the two regimes is known as a dynamical transition. Recent experiments indicate a connection between the dynamical transition and the dielectric response of the hydrated protein. We analyze two mechanisms of the coupling between the protein atomic motions and the protein-water interface. The first mechanism considers viscoelastic changes in the global shape of the protein plasticized by its coupling to the hydration shell. The second mechanism involves modulations of the local motions of partial charges inside the protein by electrostatic fluctuations. The model is used to analyze mean-square displacements of iron of metmyoglobin reported by Mössbauer spectroscopy. We show that high displacement of heme iron at physiological temperatures is dominated by electrostatic fluctuations. Two onsets, one arising from the viscoelastic response and the second from electrostatic fluctuations, are seen in the temperature dependence of the mean-square displacements when the corresponding relaxation times enter the instrumental resolution window.

Electrostatics of the protein-water interface and the dynamical transition in proteins

NASA Astrophysics Data System (ADS)

Matyushov, Dmitry V.; Morozov, Alexander Y.

2011-07-01

Atomic displacements of hydrated proteins are dominated by phonon vibrations at low temperatures and by dissipative large-amplitude motions at high temperatures. A crossover between the two regimes is known as a dynamical transition. Recent experiments indicate a connection between the dynamical transition and the dielectric response of the hydrated protein. We analyze two mechanisms of the coupling between the protein atomic motions and the protein-water interface. The first mechanism considers viscoelastic changes in the global shape of the protein plasticized by its coupling to the hydration shell. The second mechanism involves modulations of the local motions of partial charges inside the protein by electrostatic fluctuations. The model is used to analyze mean-square displacements of iron of metmyoglobin reported by Mössbauer spectroscopy. We show that high displacement of heme iron at physiological temperatures is dominated by electrostatic fluctuations. Two onsets, one arising from the viscoelastic response and the second from electrostatic fluctuations, are seen in the temperature dependence of the mean-square displacements when the corresponding relaxation times enter the instrumental resolution window.

Geophysics: The size and duration of the Sumatra-Andaman earthquake from far-field static offsets

USGS Publications Warehouse

Banerjee, P.; Pollitz, F.F.; Burgmann, R.

2005-01-01

The 26 December 2004 Sumatra earthquake produced static offsets at continuously operating GPS stations at distances of up to 4500 kilometers from the epicenter. We used these displacements to model the earthquake and include consideration of the Earth's shape and depth-varying rigidity. The results imply that the average slip was >5 meters along the full length of the rupture, including the ???650-kilometer-long Andaman segment. Comparison of the source derived from the far-field static offsets with seismically derived estimates suggests that 25 to 35% of the total moment release occurred at periods greater than 1 hour. Taking into consideration the strong dip dependence of moment estimates, the magnitude of the earthquake did not exceed Mw = 9.2.

Variable camber wing based on pneumatic artificial muscles

NASA Astrophysics Data System (ADS)

Yin, Weilong; Liu, Libo; Chen, Yijin; Leng, Jinsong

2009-07-01

As a novel bionic actuator, pneumatic artificial muscle has high power to weight ratio. In this paper, a variable camber wing with the pneumatic artificial muscle is developed. Firstly, the experimental setup to measure the static output force of pneumatic artificial muscle is designed. The relationship between the static output force and the air pressure is investigated. Experimental result shows the static output force of pneumatic artificial muscle decreases nonlinearly with increasing contraction ratio. Secondly, the finite element model of the variable camber wing is developed. Numerical results show that the tip displacement of the trailing-edge increases linearly with increasing external load and limited with the maximum static output force of pneumatic artificial muscles. Finally, the variable camber wing model is manufactured to validate the variable camber concept. Experimental result shows that the wing camber increases with increasing air pressure and that it compare very well with the FEM result.

The Effects of Triggering Mechanisms on the Energy Absorption Capability of Circular Jute/Epoxy Composite Tubes under Quasi-Static Axial Loading

NASA Astrophysics Data System (ADS)

Sivagurunathan, Rubentheran; Lau Tze Way, Saijod; Sivagurunathan, Linkesvaran; Yaakob, Mohd. Yuhazri

2018-01-01

The usage of composite materials have been improving over the years due to its superior mechanical properties such as high tensile strength, high energy absorption capability, and corrosion resistance. In this present study, the energy absorption capability of circular jute/epoxy composite tubes were tested and evaluated. To induce the progressive crushing of the composite tubes, four different types of triggering mechanisms were used which were the non-trigger, single chamfered trigger, double chamfered trigger and tulip trigger. Quasi-static axial loading test was carried out to understand the deformation patterns and the load-displacement characteristics for each composite tube. Besides that, the influence of energy absorption, crush force efficiency, peak load, mean load and load-displacement history were examined and discussed. The primary results displayed a significant influence on the energy absorption capability provided that stable progressive crushing occurred mostly in the triggered tubes compared to the non-triggered tubes. Overall, the tulip trigger configuration attributed the highest energy absorption.

The analysis of dynamic characteristics and wind-induced displacement response of space Beam String Structure

NASA Astrophysics Data System (ADS)

Chen, Yong Jian; Feng, Zhen Fa; Qi, Ai; Huang, Ying

2018-06-01

The Beam String Structure structural system, also called BSS, has the advantages of lighter dead weight and greater flexibility. The wind load is the main design control factor. The dynamic characteristics and wind-induced displacement response of BSS are studied by the finite element method. The roof structure of the stadium roof of the Fuzhou Olympic Sports Center is the engineering background. 1)The numerical model was built by ANSYS, by shape finding, determine the initial stress state of structural members such as external cables; 2)From the analysis of dynamic characteristics, the main mode of vibration is the vibration of cables; 3)The wind speed spectrum of MATLAB generation structure is obtained by AR method, the structural response of the structure under static wind load and fluctuating wind load is calculated. From the analysis result, considering the equivalent static wind load of BSS , the design of adverse wind is not safe, and the fluctuating wind load should be taken into account.

Investigating Strategies to Increase Persistence and Success Rates among Anatomy & Physiology Students: A Case Study at Austin Community College District

NASA Astrophysics Data System (ADS)

Vedartham, Padmaja B.

Snap-through buckling provides an intricate force-displacement relationship for study. With the possibility for multiple limit points and pitchfork bifurcations and large regions of instability, experimental validation of numerical analysis can become difficult. This requires stabilization of unstable static equilibria, for which limited prior research exists. For all but the simplest cases, more than one actuator is needed, increasing the complexity of the experiment to the point of intractability without a control system. In this thesis, the necessary conditions for stabilization of a buckled beam with pinned boundaries under transverse loading were determined. By combining various nonlinear solution methods, a control system was created that could stabilize any branch of the force-displacement response. Experimental traversal of an unstable branch are presented along with other unstable static equilibrium configurations. The control system had numerical limitations, losing convergence near singular points. The groundwork for experimental stabilization was validated and demonstrated.

Finite Element Development and Specifications of a Patched, Recessed Nomex Core Honeycomb Panel for Increased Sound Transmission Loss

NASA Technical Reports Server (NTRS)

Grosveld, Ferdinand W.

2007-01-01

This informal report summarizes the development and the design specifications of a recessed nomex core honeycomb panel in fulfillment of the deliverable in Task Order 13RBE, Revision 10, Subtask 17. The honeycomb panel, with 0.020-inch thick aluminum face sheets, has 0.016-inch thick aluminum patches applied to twenty-five, 6 by 6 inch, quarter inch thick recessed cores. A 10 dB higher transmission loss over the frequency range 250 - 1000 Hz was predicted by a MSC/NASTRAN finite element model when compared with the transmission loss of the base nomex core honeycomb panel. The static displacement, due to a unit force applied at either the core or recessed core area, was of the same order of magnitude as the static displacement of the base honeycomb panel when exposed to the same unit force. The mass of the new honeycomb design is 5.1% more than the base honeycomb panel. A physical model was constructed and is being tested.

From relief to development: the long-term effects of 'temporary' accommodation on refugees and displaced persons in the Republic of Croatia.

PubMed

Ellis, S; Barakat, S

1996-06-01

The increasing scale of international intervention in conflict is generating new pressures on the humanitarian community. Increased expenditure on emergency relief, static levels of overseas development aid and subsequent lack of funds for development are dictating that agencies design relief projects that positively effect developmental reconstruction. This paper examines the provision of shelter for refugees and displaced persons in the Republic of Croatia and identifies ways in which it has encouraged and discouraged sustainable reconstruction. It argues that to promote lasting reconstruction, programmes must focus on saving livelihoods as well as lives, thus minimising the long-term psychological and physical impacts of aid on refugees, displaced persons and host communities.

Dynamic DNA nanotechnology using strand-displacement reactions

NASA Astrophysics Data System (ADS)

Zhang, David Yu; Seelig, Georg

2011-02-01

The specificity and predictability of Watson-Crick base pairing make DNA a powerful and versatile material for engineering at the nanoscale. This has enabled the construction of a diverse and rapidly growing set of DNA nanostructures and nanodevices through the programmed hybridization of complementary strands. Although it had initially focused on the self-assembly of static structures, DNA nanotechnology is now also becoming increasingly attractive for engineering systems with interesting dynamic properties. Various devices, including circuits, catalytic amplifiers, autonomous molecular motors and reconfigurable nanostructures, have recently been rationally designed to use DNA strand-displacement reactions, in which two strands with partial or full complementarity hybridize, displacing in the process one or more pre-hybridized strands. This mechanism allows for the kinetic control of reaction pathways. Here, we review DNA strand-displacement-based devices, and look at how this relatively simple mechanism can lead to a surprising diversity of dynamic behaviour.

Athermalization in atomic force microscope based force spectroscopy using matched microstructure coupling.

PubMed

Torun, H; Finkler, O; Degertekin, F L

2009-07-01

The authors describe a method for athermalization in atomic force microscope (AFM) based force spectroscopy applications using microstructures that thermomechanically match the AFM probes. The method uses a setup where the AFM probe is coupled with the matched structure and the displacements of both structures are read out simultaneously. The matched structure displaces with the AFM probe as temperature changes, thus the force applied to the sample can be kept constant without the need for a separate feedback loop for thermal drift compensation, and the differential signal can be used to cancel the shift in zero-force level of the AFM.

Phonon-Induced Topological Transition to a Type-II Weyl Semimetal

NASA Astrophysics Data System (ADS)

Wang, Lin-Lin; Jo, Na Hyun; Wu, Yun; Kaminski, Adam; Canfield, Paul C.; Johnson, Duane D.

The emergence of topological quantum states requires certain combinations of crystalline symmetry with or without time reversal symmetry. Without restricting to searches for crystal structures with non-symmorphic symmetry operations in the space groups, we have studied the interplay between crystal symmetry, atomic displacements (lattice vibration), band degeneracy and topology. For a system with a full gap opening between the two band manifolds near the Fermi energy, we show that small atomic displacements (accessible via optical phonons near room temperature) can lower the symmetry to induce type-II Weyl points at the boundary between a pair of closely-lying electron and hole pockets. DOE Ames Laboratory LDRD.

XaNSoNS: GPU-accelerated simulator of diffraction patterns of nanoparticles

NASA Astrophysics Data System (ADS)

Neverov, V. S.

XaNSoNS is an open source software with GPU support, which simulates X-ray and neutron 1D (or 2D) diffraction patterns and pair-distribution functions (PDF) for amorphous or crystalline nanoparticles (up to ∼107 atoms) of heterogeneous structural content. Among the multiple parameters of the structure the user may specify atomic displacements, site occupancies, molecular displacements and molecular rotations. The software uses general equations nonspecific to crystalline structures to calculate the scattering intensity. It supports four major standards of parallel computing: MPI, OpenMP, Nvidia CUDA and OpenCL, enabling it to run on various architectures, from CPU-based HPCs to consumer-level GPUs.

Ultrafast electron crystallography: Transient structures of molecules, surfaces, and phase transitions

PubMed Central

Ruan, Chong-Yu; Vigliotti, Franco; Lobastov, Vladimir A.; Chen, Songye; Zewail, Ahmed H.

2004-01-01

The static structure of macromolecular assemblies can be mapped out with atomic-scale resolution by using electron diffraction and microscopy of crystals. For transient nonequilibrium structures, which are critical to the understanding of dynamics and mechanisms, both spatial and temporal resolutions are required; the shortest scales of length (0.1–1 nm) and time (10–13 to 10–12 s) represent the quantum limit, the nonstatistical regime of rates. Here, we report the development of ultrafast electron crystallography for direct determination of structures with submonolayer sensitivity. In these experiments, we use crystalline silicon as a template for different adsorbates: hydrogen, chlorine, and trifluoroiodomethane. We observe the coherent restructuring of the surface layers with subangstrom displacement of atoms after the ultrafast heat impulse. This nonequilibrium dynamics, which is monitored in steps of 2 ps (total change ≤10 ps), contrasts that of the nanometer substrate. The effect of adsorbates and the phase transition at higher fluences were also studied through the evolution of streaks of interferences, Bragg spots (and their rocking curves), and rings in the diffraction patterns. We compare these results with kinematical theory and those of x-ray diffraction developed to study bulk behaviors. The sensitivity achieved here, with the 6 orders of magnitude larger cross section than x-ray diffraction, and with the capabilities of combined spatial (≈0.01 Å) and temporal (300–600 fs) resolutions, promise diverse applications for this ultrafast electron crystallography tabletop methodology. PMID:14745037

Structure determination of Ba5AlF13 by coupling electron, synchrotron and neutron powder diffraction, solid-state NMR and ab initio calculations.

PubMed

Martineau, Charlotte; Allix, Mathieu; Suchomel, Matthew R; Porcher, Florence; Vivet, François; Legein, Christophe; Body, Monique; Massiot, Dominique; Taulelle, Francis; Fayon, Franck

2016-10-04

The room temperature structure of Ba 5 AlF 13 has been investigated by coupling electron, synchrotron and neutron powder diffraction, solid-state high-resolution NMR ( 19 F and 27 Al) and first principles calculations. An initial structural model has been obtained from electron and synchrotron powder diffraction data, and its main features have been confirmed by one- and two-dimensional NMR measurements. However, DFT GIPAW calculations of the 19 F isotropic shieldings revealed an inaccurate location of one fluorine site (F3, site 8a), which exhibited unusual long F-Ba distances. The atomic arrangement was reinvestigated using neutron powder diffraction data. Subsequent Fourier maps showed that this fluorine atom occupies a crystallographic site of lower symmetry (32e) with partial occupancy (25%). GIPAW computations of the NMR parameters validate the refined structural model, ruling out the presence of local static disorder and indicating that the partial occupancy of this F site reflects a local motional process. Visualisation of the dynamic process was then obtained from the Rietveld refinement of neutron diffraction data using an anharmonic description of the displacement parameters to account for the thermal motion of the mobile fluorine. The whole ensemble of powder diffraction and NMR data, coupled with first principles calculations, allowed drawing an accurate structural model of Ba 5 AlF 13 , including site-specific dynamical disorder in the fluorine sub-network.

NASTRAN computer system level 12.1

NASA Technical Reports Server (NTRS)

Butler, T. G.

1971-01-01

Program uses finite element displacement method for solving linear response of large, three-dimensional structures subject to static, dynamic, thermal, and random loadings. Program adapts to computers of different manufacture, permits up-dating and extention, allows interchange of output and input information between users, and is extensively documented.

Interaction of a cumulus cloud ensemble with the large-scale environment

NASA Technical Reports Server (NTRS)

Arakawa, A.; Schubert, W.

1973-01-01

Large-scale modification of the environment by cumulus clouds is discussed in terms of entrainment, detrainment, evaporation, and subsidence. Drying, warming, and condensation by vertical displacement of air are considered as well as budget equations for mass, static energy, water vapor, and liquid water.

Local structure in BaTi O 3 - BiSc O 3 dipole glasses

DOE PAGES

Levin, I.; Krayzman, V.; Woicik, J. C.; ...

2016-03-14

Local structures in cubic perovskite-type (Ba 0.6Bi 0.4)(Ti 0.6Sc 0.4)O 3 solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-centermore » displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-field values of 4 kVmm -1.« less

Rotation elastogram: a novel method to visualize local rigid body rotation under quasi-static compression

NASA Astrophysics Data System (ADS)

Sowmiya, C.; Kothawala, Ali Arshad; Thittai, Arun K.

2016-04-01

During manual palpation of breast masses, the perception of its stiffness and slipperiness are the two commonly used information by the physician. In order to reliably and quantitatively obtain this information several non-invasive elastography techniques have been developed that seek to provide an image of the underlying mechanical properties, mostly stiffness-related. Very few approaches have visualized the "slip" at the lesion-background boundary that only occurs for a loosely-bonded benign lesion. It has been shown that axial-shear strain distribution provides information about underlying slip. One such feature, referred to as "fill-in" was interpreted as a surrogate of the rotation undergone by an asymmetrically-oriented-loosely bonded-benign-lesion under quasi-static compression. However, imaging and direct visualization of the rotation itself has not been addressed yet. In order to accomplish this, the quality of lateral displacement estimation needs to be improved. In this simulation study, we utilize spatial compounding approach and assess the feasibility to obtain good quality rotation elastogram. The angular axial and lateral displacement estimates were obtained at different insonification angles from a phantom containing an elliptical inclusion oriented at 45°, subjected to 1% compression from the top. A multilevel 2D-block matching algorithm was used for displacement tracking and 2D-least square compounding of angular axial and lateral displacement estimates was employed. By varying the maximum steering angle and incremental angle, the improvement in the lateral motion tracking accuracy and its effects on the quality of rotational elastogram were evaluated. Results demonstrate significantly-improved rotation elastogram using this technique.

A new method to quantify liner deformation within a prosthetic socket for below knee amputees.

PubMed

Lenz, Amy L; Johnson, Katie A; Bush, Tamara Reid

2018-06-06

Many amputees who wear a leg prosthesis develop significant skin wounds on their residual limb. The exact cause of these wounds is unclear as little work has studied the interface between the prosthetic device and user. Our research objective was to develop a quantitative method for assessing displacement patterns of the gel liner during walking for patients with transtibial amputation. Using a reflective marker system and a custom clear socket, evaluations were conducted with a clear transparent test socket mounted over a plaster limb model and a deformable limb model. Distances between markers placed on the limb were measured with a digital caliper and then compared with data from the motion capture system. Additionally, the rigid plaster set-up was moved in the capture volume to simulate walking and evaluate if inter-marker distances changed in comparison to static data. Dynamic displacement trials were then collected to measure changes in inter-marker distance due to vertical elongation of the gel liner. Static and dynamic inter-marker distances within day and across days confirmed the ability to accurately capture displacements using this new approach. These results encourage this novel method to be applied to a sample of amputee patients during walking to assess displacements and the distribution of the liner deformation within the socket. The ability to capture changes in deformation of the gel liner will provide new data that will enable clinicians and researchers to improve design and fit of the prosthesis so the incidence of pressure ulcers can be reduced. Copyright © 2018 Elsevier Ltd. All rights reserved.

Real-time and rapid GNSS solutions from the M8.2 September 2017 Tehuantepec Earthquake and implications for Earthquake and Tsunami Early Warning Systems

NASA Astrophysics Data System (ADS)

Mencin, D.; Hodgkinson, K. M.; Mattioli, G. S.

2017-12-01

In support of hazard research and Earthquake Early Warning (EEW) Systems UNAVCO operates approximately 800 RT-GNSS stations throughout western North America and Alaska (EarthScope Plate Boundary Observatory), Mexico (TLALOCNet), and the pan-Caribbean region (COCONet). Our system produces and distributes raw data (BINEX and RTCM3) and real-time Precise Point Positions via the Trimble PIVOT Platform (RTX). The 2017-09-08 earthquake M8.2 located 98 km SSW of Tres Picos, Mexico is the first great earthquake to occur within the UNAVCO RT-GNSS footprint, which allows for a rigorous analysis of our dynamic and static processing methods. The need for rapid geodetic solutions ranges from seconds (EEW systems) to several minutes (Tsunami Warning and NEIC moment tensor and finite fault models). Here, we compare and quantify the relative processing strategies for producing static offsets, moment tensors and geodetically determined finite fault models using data recorded during this event. We also compare the geodetic solutions with the USGS NEIC seismically derived moment tensors and finite fault models, including displacement waveforms generated from these models. We define kinematic post-processed solutions from GIPSY-OASISII (v6.4) with final orbits and clocks as a "best" case reference to evaluate the performance of our different processing strategies. We find that static displacements of a few centimeters or less are difficult to resolve in the real-time GNSS position estimates. The standard daily 24-hour solutions provide the highest-quality data-set to determine coseismic offsets, but these solutions are delayed by at least 48 hours after the event. Dynamic displacements, estimated in real-time, however, show reasonable agreement with final, post-processed position estimates, and while individual position estimates have large errors, the real-time solutions offer an excellent operational option for EEW systems, including the use of estimated peak-ground displacements or directly inverting for finite-fault solutions. In the near-field, we find that the geodetically-derived moment tensors and finite fault models differ significantly with seismically-derived models, highlighting the utility of using geodetic data in hazard applications.

Frenkel-Kontorova model with a transversal degree of freedom: Static properties of kinks

NASA Astrophysics Data System (ADS)

Braun, Oleg M.; Chubykalo, Oksana A.; Kivshar, Yuri S.; Vázquez, Luis

1993-08-01

We consider a generalized Frenkel-Kontorova (FK) model with a transversal degree of freedom proposed by Braun and Kivshar [Phys. Rev. B 44, 7694 (1991)]. The model describes an atomic chain subjected to a two-dimensional (2D) substrate potential that is periodic in one direction and parabolic in the transversal direction, the interatomic interaction being exponentially repulsive. The ground state of the system undergoes a phase transition from the trivial one-dimensional (1D) to a quasi-2D state when the repulsion exceeds a certain critical value. The quasi-2D ground state admits two different types of kinks, ``massive,'' kinks which may be considered as a generalization of the kinks of the standard 1D FK chain, and ``nonmassive'' (phase) kinks, which appear to be due to dimerization of the ground state. We investigate the static characteristics of these two kinds of the kinks (the kink effective mass, the kink rest energy, and the height of the Peierls-Nabarro potential) analytically as well as by means of numerical simulations when the chain with the periodic boundary conditions contains a single kink. In particular, we show that the ``massive'' kinks may be described in the continuum approximation by a perturbed sine-Gordon equation while properties of the ``nonmassive'' kinks may be analyzed within the framework of an effective φ4 model derived for translational displacements. The role of the transversal degree of freedom in mass-transport properties of the generalized FK model applied to describe surface diffusion is also discussed.

Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory.

PubMed

Yanai, Takeshi; Kurashige, Yuki; Neuscamman, Eric; Chan, Garnet Kin-Lic

2010-01-14

We describe the joint application of the density matrix renormalization group and canonical transformation theory to multireference quantum chemistry. The density matrix renormalization group provides the ability to describe static correlation in large active spaces, while the canonical transformation theory provides a high-order description of the dynamic correlation effects. We demonstrate the joint theory in two benchmark systems designed to test the dynamic and static correlation capabilities of the methods, namely, (i) total correlation energies in long polyenes and (ii) the isomerization curve of the [Cu(2)O(2)](2+) core. The largest complete active spaces and atomic orbital basis sets treated by the joint DMRG-CT theory in these systems correspond to a (24e,24o) active space and 268 atomic orbitals in the polyenes and a (28e,32o) active space and 278 atomic orbitals in [Cu(2)O(2)](2+).

Solute segregation kinetics and dislocation depinning in a binary alloy

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2015-06-01

Static strain aging, a phenomenon caused by diffusion of solute atoms to dislocations, is an important contributor to the strength of substitutional alloys. Accurate modeling of this complex process requires both atomic spatial resolution and diffusional time scales, which is very challenging to achieve with commonly used atomistic computational methods. In this paper, we use the recently developed "diffusive molecular dynamics" (DMD) method that is capable of describing the kinetics of the solute segregation process at the atomic level while operating on diffusive time scales in a computationally efficient way. We study static strain aging in the Al-Mg system and calculate the depinning shear stress between edge and screw dislocations and their solute atmospheres formed for various waiting times with different solute content and for a range of temperatures. A simple phenomenological model is also proposed that describes the observed behavior of the critical shear stress as a function of segregation level.

Optical Interferometric Micrometrology

NASA Technical Reports Server (NTRS)

Abel, Phillip B.; Lauer, James R.

1989-01-01

Resolutions in angstrom and subangstrom range sought for atomic-scale surface probes. Experimental optical micrometrological system built to demonstrate calibration of piezoelectric transducer to displacement sensitivity of few angstroms. Objective to develop relatively simple system producing and measuring translation, across surface of specimen, of stylus in atomic-force or scanning tunneling microscope. Laser interferometer used to calibrate piezoelectric transducer used in atomic-force microscope. Electronic portion of calibration system made of commercially available components.

MD simulation of plastic deformation nucleation in stressed crystallites under irradiation

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

Korchuganov, A. V., E-mail: avkor@ispms.tsc.ru; Zolnikov, K. P., E-mail: kost@ispms.tsc.ru; Kryzhevich, D. S., E-mail: kryzhev@ispms.tsc.ru

2016-12-15

The investigation of plastic deformation nucleation in metals and alloys under irradiation and mechanical loading is one of the topical issues of materials science. Specific features of nucleation and evolution of the defect system in stressed and irradiated iron, vanadium, and copper crystallites were studied by molecular dynamics simulation. Mechanical loading was performed in such a way that the modeled crystallite volume remained unchanged. The energy of the primary knock-on atom initiating a cascade of atomic displacements in a stressed crystallite was varied from 0.05 to 50 keV. It was found that atomic displacement cascades might cause global structural transformationsmore » in a region far larger than the radiation-damaged area. These changes are similar to the ones occurring in the process of mechanical loading of samples. They are implemented by twinning (in iron and vanadium) or through the formation of partial dislocation loops (in copper).« less

4-(4-Bromo-phen-yl)-1-(2,6-difluoro-benz-yl)-3-(3,4,5-trimeth-oxy-phen-yl)-1H-1,2,4-triazole-5(4H)-thione.

PubMed

Fun, Hoong-Kun; Ooi, Chin Wei; Chandrakantha, B; Isloor, Arun M; Shetty, Prakash

2012-01-01

In the title compound, C(24)H(20)BrF(2)N(3)O(3)S, the triazole ring (r.m.s. deviation = 0.0107 Å) makes dihedral angles of 28.18 (14), 63.76 (14) and 77.01 (18)°, respectively, with the trimeth-oxy-, bromo-, and difluoro-substituted benzene rings. The C atoms of the meta meth-oxy groups are roughly coplanar with their ring [displacements = -0.289 (4) and 0.083 (7) Å], whereas the C atom of the para group is displaced [1.117 (3) Å]. In the crystal, inversion dimers linked by two pairs of C-H⋯O hydrogen bonds occur. The ring motif of the two hydrogen bonds to their symmetry-generated O-atom acceptors is R(2) (2)(8).

Multistructural microiteration technique for geometry optimization and reaction path calculation in large systems.

PubMed

Suzuki, Kimichi; Morokuma, Keiji; Maeda, Satoshi

2017-10-05

We propose a multistructural microiteration (MSM) method for geometry optimization and reaction path calculation in large systems. MSM is a simple extension of the geometrical microiteration technique. In conventional microiteration, the structure of the non-reaction-center (surrounding) part is optimized by fixing atoms in the reaction-center part before displacements of the reaction-center atoms. In this method, the surrounding part is described as the weighted sum of multiple surrounding structures that are independently optimized. Then, geometric displacements of the reaction-center atoms are performed in the mean field generated by the weighted sum of the surrounding parts. MSM was combined with the QM/MM-ONIOM method and applied to chemical reactions in aqueous solution or enzyme. In all three cases, MSM gave lower reaction energy profiles than the QM/MM-ONIOM-microiteration method over the entire reaction paths with comparable computational costs. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

The effect of static force on round window stimulation with the direct acoustic cochlea stimulator.

PubMed

Maier, Hannes; Salcher, Rolf; Schwab, Burkard; Lenarz, Thomas

2013-07-01

The Direct Acoustic Cochlea Stimulator Partial Implant (DACS PI, Phonak Acoustic Implants SA, Switzerland) is intended to stimulate the cochlea by a conventional stapedotomy piston that is crimped onto the DACS PI artificial incus. An alternative approach to the round window (RW) is successfully done with other devices, having the advantage of being also independent of the existence of middle ear structure (e.g. ossicles). Here the possibility of stimulating the RW with the DACS actuator is investigated including the impact of static force on sound transmission to the cochlea. The maximum equivalent sound pressure output with RW stimulation was determined experimentally in fresh human temporal bones. Experiments were performed in analogy to the ASTM standard (F2504.24930-1) method for the output determination of implantable middle ear hearing devices (IMEHDs) in human cadaveric temporal bones (TBs). ASTM compliant temporal bones were stimulated with a prosthesis having a spherical tip (∅0.5 mm) attached to the actuator. The stimulation was performed perpendicular to the round window membrane (RWM) at varying position relative to the RW and the resulting static force on the RW membrane was determined. At each position the displacement output of the DACS PI actuator and the stapes footplate (SFP) vibration in response to actuator stimulation was measured with a Laser Doppler Velocimeter (LDV). By comparison of the achieved output at the stapes footplate in response to sound and transducer stimulation the equivalent sound pressure level at the tympanic membrane at 1Vrms input voltage was calculated assuming that the SFP displacement in both conditions is a measure of perceived loudness, as it is done in the ASTM standard. Ten TB preparations within the acceptance range of the ASTM standard were used for analysis. The actuator driven stapes footplate displacement amplitude as well as the resulting equivalent sound pressure level was highly dependent on the static force applied to the RW. The sound transfer efficiency from the RW to the stapes footplate increased monotonically with increasing static load. At a moderate static force load (approx. 3.9 mN) the obtained average sound equivalent sound pressure level was 102-120 eq. dB SPL @ nominally 1Vrms input for frequencies ≤4 kHz. At higher frequencies (6-10 kHz) the achieved output dropped to ∼90 dB SPL. This output was obtained at loading conditions compatible with the actuator safe operating range, although it was possible to increase the output further by increasing the static force load. Our results demonstrate for a first time that static force applied to the RW is crucial for sound transmission efficiency. Further we could show that RW stimulation with the DACS PI actuator is possible having a maximum output that is sufficient to treat moderate and pronounced sensorineural hearing losses (SNHL). This article is part of a Special Issue entitled "MEMRO 2012". Copyright © 2013 Elsevier B.V. All rights reserved.

Characterization of the energy-dependent uncertainty and correlation in silicon neutron displacement damage metrics

NASA Astrophysics Data System (ADS)

Griffin, Patrick; Rochman, Dimitri; Koning, Arjan

2017-09-01

A rigorous treatment of the uncertainty in the underlying nuclear data on silicon displacement damage metrics is presented. The uncertainty in the cross sections and recoil atom spectra are propagated into the energy-dependent uncertainty contribution in the silicon displacement kerma and damage energy using a Total Monte Carlo treatment. An energy-dependent covariance matrix is used to characterize the resulting uncertainty. A strong correlation between different reaction channels is observed in the high energy neutron contributions to the displacement damage metrics which supports the necessity of using a Monte Carlo based method to address the nonlinear nature of the uncertainty propagation.

Helium vs. Proton Induced Displacement Damage in Electronic Materials

NASA Technical Reports Server (NTRS)

Ringo, Sawnese; Barghouty, A. F.

2010-01-01

In this project, the specific effects of displacement damage due to the passage of protons and helium nuclei on some typical electronic materials will be evaluated and contrasted. As the electronic material absorbs the energetic proton and helium momentum, degradation of performance occurs, eventually leading to overall failure. Helium nuclei traveling at the same speed as protons are expected to impart more to the material displacement damage; due to the larger mass, and thus momentum, of helium nuclei compared to protons. Damage due to displacement of atoms in their crystalline structure can change the physical properties and hence performance of the electronic materials.

Enhanced rigid-bond restraints

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

Thorn, Andrea; Dittrich, Birger; Sheldrick, George M., E-mail: gsheldr@shelx.uni-ac.gwdg.de

2012-07-01

An extension is proposed to the rigid-bond description of atomic thermal motion in crystals. The rigid-bond model [Hirshfeld (1976 ▶). Acta Cryst. A32, 239–244] states that the mean-square displacements of two atoms are equal in the direction of the bond joining them. This criterion is widely used for verification (as intended by Hirshfeld) and also as a restraint in structure refinement as suggested by Rollett [Crystallographic Computing (1970 ▶), edited by F. R. Ahmed et al., pp. 167–181. Copenhagen: Munksgaard]. By reformulating this condition, so that the relative motion of the two atoms is required to be perpendicular to themore » bond, the number of restraints that can be applied per anisotropic atom is increased from about one to about three. Application of this condition to 1,3-distances in addition to the 1,2-distances means that on average just over six restraints can be applied to the six anisotropic displacement parameters of each atom. This concept is tested against very high resolution data of a small peptide and employed as a restraint for protein refinement at more modest resolution (e.g. 1.7 Å)« less

Noble-transition metal nanoparticle breathing in a reactive gas atmosphere.

PubMed

Petkov, Valeri; Shan, Shiyao; Chupas, Peter; Yin, Jun; Yang, Lefu; Luo, Jin; Zhong, Chuan-Jian

2013-08-21

In situ high-energy X-ray diffraction coupled to atomic pair distribution function analysis is used to obtain fundamental insight into the effect of the reactive gas environment on the atomic-scale structure of metallic particles less than 10 nm in size. To substantiate our recent discovery we investigate a wide range of noble-transition metal nanoparticles and confirm that they expand and contract radially when treated in oxidizing (O2) and reducing (H2) atmospheres, respectively. The results are confirmed by supplementary XAFS experiments. Using computer simulations guided by the experimental diffraction data we quantify the effect in terms of both relative lattice strain and absolute atomic displacements. In particular, we show that the effect leads to a small percent of extra surface strain corresponding to several tenths of Ångström displacements of the atoms at the outmost layer of the particles. The effect then gradually decays to zero within 4 atomic layers inside the particles. We also show that, reminiscent of a breathing type structural transformation, the effect is reproducible and reversible. We argue that because of its significance and widespread occurrence the effect should be taken into account in nanoparticle research.

Correlation between Geometrically Induced Oxygen Octahedral Tilts and Multiferroic Behaviors in BiFeO 3 Films

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

Lee, Sung Su; Kim, Young-Min; Lee, Hyun-Jae

The equilibrium position of atoms in a unit cell is directly connected to crystal functionalities, e.g., ferroelectricity, ferromagnetism, and piezoelectricity. The artificial tuning of the energy landscape can involve repositioning atoms as well as manipulating the functionalities of perovskites (ABO 3), which are good model systems to test this legacy. Mechanical energy from external sources accommodating various clamping substrates is utilized to perturb the energy state of perovskite materials fabricated on the substrates and consequently change their functionalities; however, this approach yields undesired complex behaviors of perovskite crystals, such as lattice distortion, displacement of B atoms, and/or tilting of oxygenmore » octahedra. Owing to complimentary collaborations between experimental and theoretical studies, the effects of both lattice distortion and displacement of B atoms are well understood so far, which leaves us a simple question: Can we exclusively control the positions of oxygen atoms in perovskites for functionality manipulation? Here the artificial manipulation of oxygen octahedral tilt angles within multiferroic BiFeO 3 thin films using strong oxygen octahedral coupling with bottom SrRuO 3 layers is reported, which opens up new possibilities of oxygen octahedral engineering.« less

Correlation between Geometrically Induced Oxygen Octahedral Tilts and Multiferroic Behaviors in BiFeO 3 Films

DOE PAGES

Lee, Sung Su; Kim, Young-Min; Lee, Hyun-Jae; ...

2018-03-26

The equilibrium position of atoms in a unit cell is directly connected to crystal functionalities, e.g., ferroelectricity, ferromagnetism, and piezoelectricity. The artificial tuning of the energy landscape can involve repositioning atoms as well as manipulating the functionalities of perovskites (ABO 3), which are good model systems to test this legacy. Mechanical energy from external sources accommodating various clamping substrates is utilized to perturb the energy state of perovskite materials fabricated on the substrates and consequently change their functionalities; however, this approach yields undesired complex behaviors of perovskite crystals, such as lattice distortion, displacement of B atoms, and/or tilting of oxygenmore » octahedra. Owing to complimentary collaborations between experimental and theoretical studies, the effects of both lattice distortion and displacement of B atoms are well understood so far, which leaves us a simple question: Can we exclusively control the positions of oxygen atoms in perovskites for functionality manipulation? Here the artificial manipulation of oxygen octahedral tilt angles within multiferroic BiFeO 3 thin films using strong oxygen octahedral coupling with bottom SrRuO 3 layers is reported, which opens up new possibilities of oxygen octahedral engineering.« less

Quasi-Static Analysis of Round LaRC THUNDER Actuators

NASA Technical Reports Server (NTRS)

Campbell, Joel F.

2007-01-01

An analytic approach is developed to predict the shape and displacement with voltage in the quasi-static limit of round LaRC Thunder Actuators. The problem is treated with classical lamination theory and Von Karman non-linear analysis. In the case of classical lamination theory exact analytic solutions are found. It is shown that classical lamination theory is insufficient to describe the physical situation for large actuators but is sufficient for very small actuators. Numerical results are presented for the non-linear analysis and compared with experimental measurements. Snap-through behavior, bifurcation, and stability are presented and discussed.

Quasi-Static Analysis of LaRC THUNDER Actuators

NASA Technical Reports Server (NTRS)

Campbell, Joel F.

2007-01-01

An analytic approach is developed to predict the shape and displacement with voltage in the quasi-static limit of LaRC Thunder Actuators. The problem is treated with classical lamination theory and Von Karman non-linear analysis. In the case of classical lamination theory exact analytic solutions are found. It is shown that classical lamination theory is insufficient to describe the physical situation for large actuators but is sufficient for very small actuators. Numerical results are presented for the non-linear analysis and compared with experimental measurements. Snap-through behavior, bifurcation, and stability are presented and discussed.

A Feasibility Study of Synthesizing Subsurfaces Modeled with Computational Neural Networks

NASA Technical Reports Server (NTRS)

Wang, John T.; Housner, Jerrold M.; Szewczyk, Z. Peter

1998-01-01

This paper investigates the feasibility of synthesizing substructures modeled with computational neural networks. Substructures are modeled individually with computational neural networks and the response of the assembled structure is predicted by synthesizing the neural networks. A superposition approach is applied to synthesize models for statically determinate substructures while an interface displacement collocation approach is used to synthesize statically indeterminate substructure models. Beam and plate substructures along with components of a complicated Next Generation Space Telescope (NGST) model are used in this feasibility study. In this paper, the limitations and difficulties of synthesizing substructures modeled with neural networks are also discussed.

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.

Recent advances in reduction methods for nonlinear problems. [in structural mechanics

NASA Technical Reports Server (NTRS)

Noor, A. K.

1981-01-01

Status and some recent developments in the application of reduction methods to nonlinear structural mechanics problems are summarized. The aspects of reduction methods discussed herein include: (1) selection of basis vectors in nonlinear static and dynamic problems, (2) application of reduction methods in nonlinear static analysis of structures subjected to prescribed edge displacements, and (3) use of reduction methods in conjunction with mixed finite element models. Numerical examples are presented to demonstrate the effectiveness of reduction methods in nonlinear problems. Also, a number of research areas which have high potential for application of reduction methods are identified.

A classical treatment of the quadratic Zeeman effect in atomic hydrogen

NASA Astrophysics Data System (ADS)

Al-Laithy, M. A.; Farmer, C. M.; McDowell, M. R. C.

1985-03-01

A description of the non-relativistic classical motion of the electron of a hydrogen atom in the presence of a static magnetic field of arbitrary (non-relativistic) strength is given for arbitrary angular momentum. Applications are given to m = 0 and m = 3 at B = 26.877 kG.

Empirically constructed dynamic electric dipole polarizability function of magnesium and its applications

NASA Astrophysics Data System (ADS)

Babb, James F.

2015-08-01

The dynamic electric dipole polarizability function for the magnesium atom is formed by assembling the atomic electric dipole oscillator strength distribution from combinations of theoretical and experimental data for resonance oscillator strengths and for photoionization cross sections of valence and inner shell electrons. Consistency with the oscillator strength (Thomas-Reiche-Kuhn) sum rule requires the adopted principal resonance line oscillator strength to be several percent lower than the values given in two critical tabulations, though the value adopted is consistent with a number of theoretical determinations. The static polarizability is evaluated. Comparing the resulting dynamic polarizability as a function of the photon energy with more elaborate calculations reveals the contributions of inner shell electron excitations. The present results are applied to calculate the long-range interactions between two and three magnesium atoms and the interaction between a magnesium atom and a perfectly conducting metallic plate. Extensive comparisons of prior results for the principal resonance line oscillator strength, for the static polarizability, and for the van der Waals coefficient are given in the Appendix.

Rapid Assessment of Age-Related Differences in Standing Balance

PubMed Central

Kalisch, Tobias; Kattenstroth, Jan-Christoph; Noth, Sebastian; Tegenthoff, Martin; Dinse, Hubert R.

2011-01-01

As life expectancy continues to rise, in the future there will be an increasing number of older people prone to falling. Accordingly, there is an urgent need for comprehensive testing of older individuals to collect data and to identify possible risk factors for falling. Here we use a low-cost force platform to rapidly assess deficits in balance under various conditions. We tested 21 healthy older adults and 24 young adults during static stance, unidirectional and rotational displacement of their centre of pressure (COP). We found an age-related increase in postural sway during quiet standing and a reduction of maximal COP displacement in unidirectional and rotational displacement tests. Our data show that even low-cost computerized assessment tools allow for the comprehensive testing of balance performance in older subjects. PMID:21629742

Low energy ion-solid interactions and chemistry effects in a series of pyrochlores

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

Dong, Liyuan; Li, Yuhong; Devanathan, Ram

The effect of chemistry on low energy recoil events was investigated at 10 K for each type of atom in pyrochlores using molecular dynamics simulation. Contour plots of the threshold displacement energy (Ed) in Gd2Zr2O7 have been produced along more than 80 directions for each individual species. The Ed surface for each type of atom in Gd2Zr2O7 is highly anisotropic; Ed of Zr exhibits the largest degree of anisotropy, while that of O8b exhibits the smallest. The recommended values of Ed in Gd2Zr2O7 based on the observed minima are 56, 94 and 25 eV, respectively for Gd, Zr and O.more » The influence of cation radius on Ed in pyrochlores A2B2O7 (with A-site ranging from Lu3+ to La3+ and B-site ranging from Ti4+ to Ce4+) was also investigated along three directions [100], [110] and [111]. The Ed in pyrochlores strongly depended on the atom type, atom mass, knock-on direction, and lattice position. The defects produced after low energy displacement events included cation antisite defects, cation Frenkel pairs, anion Frenkel pairs, various vacancies and interstitials. Ce doping in pyrochlores may affect the radiation response, because it resulted in drastic changes in cation and anion displacement energies and formation of an unusual type of anti-site defect. This work demonstrates links between Ed and amorphization resistance.« less

In situ observation of atomic movement in a ferroelectric film under an external electric field and stress

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

Lee, Hyeon Jun; Guo, Er-Jia; Min, Taewon

Atomic movement under application of external stimuli (i.e., electric field or mechanical stress) in oxide materials has not been observed due to a lack of experimental methods but has been well known to determine the electric polarization. Here, we investigated atomic movement arising from the ferroelectric response of BiFeO 3 thin films under the effect of an electric field and stress in real time using a combination of switching spectroscopy, time-resolved X-ray microdiffraction, and in situ stress engineering. Under an electric field applied to a BiFeO 3 film, the hysteresis loop of the reflected X-ray intensity was found to resultmore » from the opposing directions of displaced atoms between the up and down polarization states. An additional shift of atoms arising from the linearly increased dielectric component of the polarization in BiFeO 3 was confirmed through gradual reduction of the diffracted X-ray intensity. The electric-fieldinduced displacement of oxygen atoms was found to be larger than that of Fe atom for both ferroelectric switching and increase of the polarization. In conclusion, the effect of external stress on the BiFeO 3 thin film, which was controlled by applying an electric field to the highly piezoelectric substrate, showed smaller atomic shifts than for the case of applying an electric field to the film, despite the similar tetragonality.« less

In situ observation of atomic movement in a ferroelectric film under an external electric field and stress

DOE PAGES

Lee, Hyeon Jun; Guo, Er-Jia; Min, Taewon; ...

2017-12-28

Atomic movement under application of external stimuli (i.e., electric field or mechanical stress) in oxide materials has not been observed due to a lack of experimental methods but has been well known to determine the electric polarization. Here, we investigated atomic movement arising from the ferroelectric response of BiFeO 3 thin films under the effect of an electric field and stress in real time using a combination of switching spectroscopy, time-resolved X-ray microdiffraction, and in situ stress engineering. Under an electric field applied to a BiFeO 3 film, the hysteresis loop of the reflected X-ray intensity was found to resultmore » from the opposing directions of displaced atoms between the up and down polarization states. An additional shift of atoms arising from the linearly increased dielectric component of the polarization in BiFeO 3 was confirmed through gradual reduction of the diffracted X-ray intensity. The electric-fieldinduced displacement of oxygen atoms was found to be larger than that of Fe atom for both ferroelectric switching and increase of the polarization. In conclusion, the effect of external stress on the BiFeO 3 thin film, which was controlled by applying an electric field to the highly piezoelectric substrate, showed smaller atomic shifts than for the case of applying an electric field to the film, despite the similar tetragonality.« less

Integrated optimization of nonlinear R/C frames with reliability constraints

NASA Technical Reports Server (NTRS)

Soeiro, Alfredo; Hoit, Marc

1989-01-01

A structural optimization algorithm was researched including global displacements as decision variables. The algorithm was applied to planar reinforced concrete frames with nonlinear material behavior submitted to static loading. The flexural performance of the elements was evaluated as a function of the actual stress-strain diagrams of the materials. Formation of rotational hinges with strain hardening were allowed and the equilibrium constraints were updated accordingly. The adequacy of the frames was guaranteed by imposing as constraints required reliability indices for the members, maximum global displacements for the structure and a maximum system probability of failure.

JPL-ANTOPT antenna structure optimization program

NASA Technical Reports Server (NTRS)

Strain, D. M.

1994-01-01

New antenna path-length error and pointing-error structure optimization codes were recently added to the MSC/NASTRAN structural analysis computer program. Path-length and pointing errors are important measured of structure-related antenna performance. The path-length and pointing errors are treated as scalar displacements for statics loading cases. These scalar displacements can be subject to constraint during the optimization process. Path-length and pointing-error calculations supplement the other optimization and sensitivity capabilities of NASTRAN. The analysis and design functions were implemented as 'DMAP ALTERs' to the Design Optimization (SOL 200) Solution Sequence of MSC-NASTRAN, Version 67.5.

Weight-Bearing Dorsiflexion Range of Motion and Landing Biomechanics in Individuals With Chronic Ankle Instability

PubMed Central

Hoch, Matthew C.; Farwell, Kelley E.; Gaven, Stacey L.; Weinhandl, Joshua T.

2015-01-01

Context People with chronic ankle instability (CAI) exhibit less weight-bearing dorsiflexion range of motion (ROM) and less knee flexion during landing than people with stable ankles. Examining the relationship between dorsiflexion ROM and landing biomechanics may identify a modifiable factor associated with altered kinematics and kinetics during landing tasks. Objective To examine the relationship between weight-bearing dorsiflexion ROM and single-legged landing biomechanics in persons with CAI. Design Cross-sectional study. Setting Laboratory. Patients or Other Participants Fifteen physically active persons with CAI (5 men, 10 women; age = 21.9 ± 2.1 years, height = 168.7 ± 9.0 cm, mass = 69.4 ± 13.3 kg) participated. Intervention(s) Participants performed dorsiflexion ROM and single-legged landings from a 40-cm height. Sagittal-plane kinematics of the lower extremity and ground reaction forces (GRFs) were captured during landing. Main Outcome Measure(s) Static dorsiflexion was measured using the weight-bearing–lunge test. Kinematics of the ankle, knee, and hip were observed at initial contact, maximum angle, and sagittal displacement. Sagittal displacements of the ankle, knee, and hip were summed to examine overall sagittal displacement. Kinetic variables were maximum posterior and vertical GRFs normalized to body weight. We used Pearson product moment correlations to evaluate the relationships between dorsiflexion ROM and landing biomechanics. Correlations (r) were interpreted as weak (0.00–0.40), moderate (0.41–0.69), or strong (0.70–1.00). The coefficient of determination (r2) was used to determine the amount of explained variance among variables. Results Static dorsiflexion ROM was moderately correlated with maximum dorsiflexion (r = 0.49, r2 = 0.24), ankle displacement (r = 0.47, r2 = 0.22), and total displacement (r = 0.67, r2 = 0.45) during landing. Dorsiflexion ROM measured statically and during landing demonstrated moderate to strong correlations with maximum knee (r = 0.69–0.74, r2 = 0.47–0.55) and hip (r = 0.50–0.64, r2 = 0.25–0.40) flexion, hip (r = 0.53–0.55, r2 = 0.28–0.30) and knee (r = 0.53–0.70, r2 = 0.28–0.49) displacement, and vertical GRF (−0.47– −0.50, r2 = 0.22–0.25). Conclusions Dorsiflexion ROM was moderately to strongly related to sagittal-plane kinematics and maximum vertical GRF during single-legged landing in persons with CAI. Persons with less dorsiflexion ROM demonstrated a more erect landing posture and greater GRF. PMID:26067428

Large Deformation Dynamic Bending of Composite Beams

NASA Technical Reports Server (NTRS)

Derian, E. J.; Hyer, M. W.

1986-01-01

Studies were conducted on the large deformation response of composite beams subjected to a dynamic axial load. The beams were loaded with a moderate eccentricity to promote bending. The study was primarily experimental but some finite element results were obtained. Both the deformation and the failure of the beams were of interest. The static response of the beams was also studied to determine potential differences between the static and dynamic failure. Twelve different laminate types were tested. The beams were loaded dynamically with a gravity driven impactor traveling at 19.6 ft/sec and quasi-static tests were conducted on identical beams in a displacement controlled manner. For laminates of practical interest, the failure modes under static and dynamic loadings were identical. Failure in most of the laminate types occurred in a single event involving 40% to 50% of the plies. However, failure in laminates with 30 deg or 15 deg off-axis plies occured in several events. All laminates exhibited bimodular elastic properties. Using empirically determined flexural properties, a finite element analysis was reasonably accurate in predicting the static and dynamic deformation response.

Energy dissipation unveils atomic displacement in the noncontact atomic force microscopy imaging of Si(111 )-(7 ×7 )

NASA Astrophysics Data System (ADS)

Arai, Toyoko; Inamura, Ryo; Kura, Daiki; Tomitori, Masahiko

2018-03-01

The kinetic energy of the oscillating cantilever of noncontact atomic force microscopy (nc-AFM) at room temperature was considerably dissipated over regions between a Si adatom and its neighboring rest atom for Si(111 )-(7 ×7 ) in close proximity to a Si tip on the cantilever. However, nc-AFM topographic images showed no atomic features over those regions, which were the hollow sites of the (7 ×7 ). This energy dissipation likely originated from displacement of Si adatoms with respect to the tip over the hollow sites, leading to a lateral shift of the adatoms toward the rest atom. This interaction led to hysteresis over each cantilever oscillation cycle; when the tip was retracted, the Si adatom likely returned to its original position. To confirm the atomic processes involved in the force interactions through Si dangling bonds, the Si(111 )-(7 ×7 ) surface was partly terminated with atomic hydrogen (H) and examined by nc-AFM. When the Si adatoms and/or the rest atoms were terminated with H, the hollow sites were not bright (less dissipation) in images of the energy dissipation channels by nc-AFM. The hollow sites acted as metastable sites for Si adatoms in surface diffusion and atom manipulation; thus, the dissipation energy which is saturated on the tip likely corresponds to the difference in the potential energy between the hollow site and the Si adatom site. In this study, we demonstrated the ability of dissipation channels of nc-AFM to enable visualization of the dynamics of atoms and molecules on surfaces, which cannot be revealed by nc-AFM topographic images alone.

A device for characterising the mechanical properties of the plantar soft tissue of the foot.

PubMed

Parker, D; Cooper, G; Pearson, S; Crofts, G; Howard, D; Busby, P; Nester, C

2015-11-01

The plantar soft tissue is a highly functional viscoelastic structure involved in transferring load to the human body during walking. A Soft Tissue Response Imaging Device was developed to apply a vertical compression to the plantar soft tissue whilst measuring the mechanical response via a combined load cell and ultrasound imaging arrangement. Accuracy of motion compared to input profiles; validation of the response measured for standard materials in compression; variability of force and displacement measures for consecutive compressive cycles; and implementation in vivo with five healthy participants. Static displacement displayed average error of 0.04 mm (range of 15 mm), and static load displayed average error of 0.15 N (range of 250 N). Validation tests showed acceptable agreement compared to a Houndsfield tensometer for both displacement (CMC > 0.99 RMSE > 0.18 mm) and load (CMC > 0.95 RMSE < 4.86 N). Device motion was highly repeatable for bench-top tests (ICC = 0.99) and participant trials (CMC = 1.00). Soft tissue response was found repeatable for intra (CMC > 0.98) and inter trials (CMC > 0.70). The device has been shown to be capable of implementing complex loading patterns similar to gait, and of capturing the compressive response of the plantar soft tissue for a range of loading conditions in vivo. Copyright © 2015. Published by Elsevier Ltd.

Hybrid deployable support truss designs for LDR

NASA Technical Reports Server (NTRS)

Hedgepeth, J.

1988-01-01

Concepts for a 20-meter diameter Large Deployable Reflector (LDR) deployable truss backup structure, and analytical predictions of its structural characteristics are discussed. The concept shown is referred to as the SIXPAC; It is a combination of the PACTRUSS concept and a single-fold beam, which would make up the desired backup structure. One advantage of retaining the PACTRUSS concept is its packaging density and its capability for synchronous deployment. Various 2-meter hexagonal panel arrangements are possible for this Hybrid PACTRUSS structure depending on the panel-to-structure attachment strategies used. Static analyses of the SIXPAC using various assumptions for truss designs and panel masses of 10 kg sq meters were performed to predict the tip displacement of the structure when supported at the center. The tip displacement ranged from 0.20 to 0.44 mm without the panel mass, and from 0.9 to 3.9 mm with the panel mass (in a 1-g field). The data indicate that the structure can be adequately ground tested to validate its required performance in space, assuming the required performance in space is approximately 100 microns. The static displacement at the tip of the structure when subjected to an angular acceleration of 0.001 rad/sec squared were estimated to range from 0.8 to 7.5 microns, depending on the type of truss elements.

Effect of the Coronal Wall Thickness of Dental Implants on the Screw Joint Stability in the Internal Implant-Abutment Connection.

PubMed

Lee, Ji-Hye; Huh, Yoon-Hyuk; Park, Chan-Jin; Cho, Lee-Ra

2016-01-01

To evaluate the effect of implant coronal wall thickness on load-bearing capacity and screw joint stability. Experimental implants were customized after investigation of the thinnest coronal wall thickness of commercially available implant systems with a regular platform diameter. Implants with four coronal wall thicknesses (0.2, 0.3, 0.4, and 0.5 mm) were fabricated. Three sets of tests were performed. The first set was a failure test to evaluate load-bearing capacity and elastic limit. The second and third sets were cyclic and static loading tests. After abutment screw tightening of each implant, vertical cyclic loading of 250 N or static loading from 250 to 800 N was applied. Coronal diameter expansion, axial displacement, and removal torque values of the implants were compared. Repeated measures analysis of variance (ANOVA) was used for statistical analysis (α = .05). Implants with 0.2-mm coronal wall thickness demonstrated significantly low load-bearing capacity and elastic limit (both P < .05). These implants also showed significantly large coronal diameter expansion and axial displacement after screw tightening (both P < .05). Greater vertical load and thinner coronal wall thickness significantly increased coronal diameter expansion of the implant, axial displacement of the abutment, and removal torque loss of the abutment screw (all P < .05). Implant coronal wall thickness of 0.2 mm produces significantly inferior load-bearing capacity and screw joint stability.

Phonon induced magnetism in ionic materials

NASA Astrophysics Data System (ADS)

Restrepo, Oscar D.; Antolin, Nikolas; Jin, Hyungyu; Heremans, Joseph P.; Windl, Wolfgang

2014-03-01

Thermoelectric phenomena in magnetic materials create exciting possibilities in future spin caloritronic devices by manipulating spin information using heat. An accurate understanding of the spin-lattice interactions, i.e. the coupling between magnetic excitations (magnons) and lattice vibrations (phonons), holds the key to unraveling their underlying physics. We report ab initio frozen-phonon calculations of CsI that result in non-zero magnetization when the degeneracy between spin-up and spin-down electronic density of states is lifted for certain phonon displacement patterns. For those, the magnetization as a function of atomic displacement shows a sharp resonance due to the electronic states on the displaced Cs atoms, while the electrons on indium form a continuous background magnetization. We relate this resonance to the generation of a two-level system in the spin-polarized Cs partial density of states as a function of displacement, which we propose to be described by a simple resonant-susceptibility model. Current work extends these investigations to semiconductors such as InSb. ODR and WW are supported by the Center for Emergent Materials, an NSF MRSEC at OSU (Grant DMR-0820414).HJ and JPH are supported by AFOSR MURI Cryogenic Peltier Cooling, Contract #FA9550-10-1-0533.

Defect propagation in one-, two-, and three-dimensional compounds doped by magnetic atoms

DOE PAGES

Furrer, A.; Podlesnyak, A.; Krämer, K. W.; ...

2014-10-29

Inelastic neutron scattering experiments were performed to study manganese(II) dimer excitations in the diluted one-, two-, and three-dimensional compounds CsMn xMg 1-xBr 3, K 2Mn xZn 1-xF 4, and KMn xZn 1-xF 3 (x≤0.10), respectively. The transitions from the ground-state singlet to the excited triplet, split into a doublet and a singlet due to the single-ion anisotropy, exhibit remarkable fine structures. These unusual features are attributed to local structural inhomogeneities induced by the dopant Mn atoms which act like lattice defects. Statistical models support the theoretically predicted decay of atomic displacements according to 1/r 2, 1/r, and constant (for three-,more » two-, and one-dimensional compounds, respectively) where r denotes the distance of the displaced atoms from the defect. In conclusion, the observed fine structures allow a direct determination of the local exchange interactions J, and the local intradimer distances R can be derived through the linear law dJ/dR.« less

About vortex-like atomic motion in a loaded single crystal

NASA Astrophysics Data System (ADS)

Dmitriev, A. I.; Nikonov, A. Yu.

2017-12-01

The paper presents a molecular dynamics study of internal stress and atomic displacement redistributions in a preliminary loaded solid. The study demonstrates the possibility of self-organized vortices as dynamic defects of typical size 1-5 nm due to atomic motion in the elastic region at the stage of relaxation. The simulation results agree well with experimental data on strain localization in elastic distortion regions which gives rise to nanodipoles of partial disclinations.

FAST TRACK COMMUNICATION: Confinement resonances in the photoionization of endohedral atoms: myth or reality?

NASA Astrophysics Data System (ADS)

Korol, A. V.; Solov'yov, A. V.

2010-10-01

We demonstrate that the structure of confinement resonances in the photoionization cross section of an endohedral atom is very sensitive to the mean displacement langarang of the atom from the cage centre. The resonances are strongly suppressed if 2langarang exceeds the photoelectron half-wavelength. We explain the results of recent experiments which contradict the earlier theoretical predictions on the existence of confinement resonances in particular endohedral systems.

Single-atom trapping and transport in DMD-controlled optical tweezers

NASA Astrophysics Data System (ADS)

Stuart, Dustin; Kuhn, Axel

2018-02-01

We demonstrate the trapping and manipulation of single neutral atoms in reconfigurable arrays of optical tweezers. Our approach offers unparalleled speed by using a Texas instruments digital micro-mirror device as a holographic amplitude modulator with a frame rate of 20 000 per second. We show the trapping of static arrays of up to 20 atoms, as well as transport of individually selected atoms over a distance of 25 μm with laser cooling and 4 μm without. We discuss the limitations of the technique and the scope for technical improvements.

Charge-screening role of c -axis atomic displacements in YBa 2 Cu 3 O 6 + x and related superconductors

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

Božin, E. S.; Huq, A.; Shen, Bing

2016-02-01

The importance of charge reservoir layers for supplying holes to the CuO 2 planes of cuprate superconductors has long been recognized. Less attention has been paid to the screening of the charge transfer by the intervening ionic layers. We address this issue in the case of YBa 2 Cu 3 O 6 + x , where CuO chains supply the holes for the planes. We present a simple dielectric-screening model that gives a linear correlation between the relative displacements of ions along the c axis, determined by neutron powder diffraction, and the hole density of the planes. Applying this modelmore » to the temperature-dependent shifts of ions along the c axis, we infer a charge transfer of 5–10% of the hole density from the planes to the chains on warming from the superconducting transition to room temperature. Given the significant coupling of c -axis displacements to the average charge density, we point out the relevance of local displacements for screening charge modulations and note recent evidence for dynamic screening of in-plane quasiparticles. This line of argument leads us to a simple model for atomic displacements and charge modulation that is consistent with images from scanning-tunneling microscopy for underdoped Bi 2 Sr 2 CaCu 2 O 8 + δ .« less

Charge-screening role of c -axis atomic displacements in YBa 2 Cu 3 O 6 + x and related superconductors

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

Božin, E. S.; Huq, A.; Shen, Bing

2016-02-01

The importance of charge reservoir layers for supplying holes to the CuO2 planes of cuprate superconductors has long been recognized. Less attention has been paid to the screening of the charge transfer by the intervening ionic layers.We address this issue in the case of YBa2Cu3O6+x , where CuO chains supply the holes for the planes. We present a simple dielectric-screening model that gives a linear correlation between the relative displacements of ions along the c axis, determined by neutron powder diffraction, and the hole density of the planes. Applying this model to the temperature-dependent shifts of ions along the cmore » axis, we infer a charge transfer of 5–10% of the hole density from the planes to the chains on warming from the superconducting transition to room temperature. Given the significant coupling of c-axis displacements to the average charge density, we point out the relevance of local displacements for screening charge modulations and note recent evidence for dynamic screening of in-plane quasiparticles. This line of argument leads us to a simple model for atomic displacements and charge modulation that is consistent with images from scanning-tunneling microscopy for underdoped Bi2Sr2CaCu2O8+δ .« less

Charge-screening role of c-axis atomic displacements in YBa 2Cu 3O 6+x and related superconductors

DOE PAGES

E. S. Bozin; Huq, A.; Shen, Bing; ...

2016-02-29

The importance of charge reservoir layers for supplying holes to the CuO 2 planes of cuprate superconductors has long been recognized. Less attention has been paid to the screening of the charge transfer by the intervening ionic layers. We address this issue in the case of YBa 2Cu 3O 6+x, where CuO chains supply the holes for the planes. We present a simple dielectric-screening model that gives a linear correlation between the relative displacements of ions along the c axis, determined by neutron powder diffraction, and the hole density of the planes. Applying this model to the temperature-dependent shifts ofmore » ions along the c axis, we infer a charge transfer of 5-10% of the hole density from the planes to the chains on warming from the superconducting transition to room temperature. Given the significant coupling of c-axis displacements to the average charge density, we point out the relevance of local displacements for screening charge modulations and note recent evidence for dynamic screening of in-plane quasiparticles. Furthermore, this line of argument leads us to a simple model for atomic displacements and charge modulation that is consistent with images from scanning-tunneling microscopy for underdoped Bi 2Sr 2CaCu 2O 8+δ.« less

Quantitative measurements of electromechanical response with a combined optical beam and interferometric atomic force microscope

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

Labuda, Aleksander; Proksch, Roger

An ongoing challenge in atomic force microscope (AFM) experiments is the quantitative measurement of cantilever motion. The vast majority of AFMs use the optical beam deflection (OBD) method to infer the deflection of the cantilever. The OBD method is easy to implement, has impressive noise performance, and tends to be mechanically robust. However, it represents an indirect measurement of the cantilever displacement, since it is fundamentally an angular rather than a displacement measurement. Here, we demonstrate a metrological AFM that combines an OBD sensor with a laser Doppler vibrometer (LDV) to enable accurate measurements of the cantilever velocity and displacement.more » The OBD/LDV AFM allows a host of quantitative measurements to be performed, including in-situ measurements of cantilever oscillation modes in piezoresponse force microscopy. As an example application, we demonstrate how this instrument can be used for accurate quantification of piezoelectric sensitivity—a longstanding goal in the electromechanical community.« less

Evaluation of High-Precision Sensors in Structural Monitoring

PubMed Central

Erol, Bihter

2010-01-01

One of the most intricate branches of metrology involves the monitoring of displacements and deformations of natural and anthropogenic structures under environmental forces, such as tidal or tectonic phenomena, or ground water level changes. Technological progress has changed the measurement process, and steadily increasing accuracy requirements have led to the continued development of new measuring instruments. The adoption of an appropriate measurement strategy, with proper instruments suited for the characteristics of the observed structure and its environmental conditions, is of high priority in the planning of deformation monitoring processes. This paper describes the use of precise digital inclination sensors in continuous monitoring of structural deformations. The topic is treated from two viewpoints: (i) evaluation of the performance of inclination sensors by comparing them to static and continuous GPS observations in deformation monitoring and (ii) providing a strategy for analyzing the structural deformations. The movements of two case study objects, a tall building and a geodetic monument in Istanbul, were separately monitored using dual-axes micro-radian precision inclination sensors (inclinometers) and GPS. The time series of continuous deformation observations were analyzed using the Least Squares Spectral Analysis Technique (LSSA). Overall, the inclinometers showed good performance for continuous monitoring of structural displacements, even at the sub-millimeter level. Static GPS observations remained insufficient for resolving the deformations to the sub-centimeter level due to the errors that affect GPS signals. With the accuracy advantage of inclination sensors, their use with GPS provides more detailed investigation of deformation phenomena. Using inclinometers and GPS is helpful to be able to identify the components of structural responses to the natural forces as static, quasi-static, or resonant. PMID:22163499

Slope Stability Analysis In Seismic Areas Of The Northern Apennines (Italy)

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

Lo Presti, D.; Fontana, T.; Marchetti, D.

2008-07-08

Several research works have been published on the slope stability in the northern Tuscany (central Italy) and particularly in the seismic areas of Garfagnana and Lunigiana (Lucca and Massa-Carrara districts), aimed at analysing the slope stability under static and dynamic conditions and mapping the landslide hazard. In addition, in situ and laboratory investigations are available for the study area, thanks to the activities undertaken by the Tuscany Seismic Survey. Based on such a huge information the co-seismic stability of few ideal slope profiles have been analysed by means of Limit equilibrium method LEM - (pseudo-static) and Newmark sliding block analysismore » (pseudo-dynamic). The analysis--results gave indications about the most appropriate seismic coefficient to be used in pseudo-static analysis after establishing allowable permanent displacement. Such indications are commented in the light of the Italian and European prescriptions for seismic stability analysis with pseudo-static approach. The stability conditions, obtained from the previous analyses, could be used to define microzonation criteria for the study area.« less

Protein dynamics as seen by (quasi) elastic neutron scattering.

PubMed

Magazù, S; Mezei, F; Falus, P; Farago, B; Mamontov, E; Russina, M; Migliardo, F

2017-01-01

Elastic and quasielastic neutron scattering studies proved to be efficient probes of the atomic mean square displacement (MSD), a fundamental parameter for the characterization of the motion of individual atoms in proteins and its evolution with temperature and compositional environment. We present a technical overview of the different types of experimental situations and the information quasi-elastic neutron scattering approaches can make available. In particular, MSD can crucially depend on the time scale over which the averaging (building of the "mean") takes place, being defined by the instrumental resolution. Due to their high neutron scattering cross section, hydrogen atoms can be particularly sensitively observed with little interference by the other atoms in the sample. A few examples, including new data, are presented for illustration. The incoherent character of neutron scattering on hydrogen atoms restricts the information obtained to the self-correlations in the motion of individual atoms, simplifying at the same time the data analysis. On the other hand, the (often overlooked) exploration of the averaging time dependent character of MSD is crucial for unambiguous interpretation and can provide a wealth of information on micro- and nanoscale atomic motion in proteins. By properly exploiting the broad range capabilities of (quasi)elastic neutron scattering techniques to deliver time dependent characterization of atomic displacements, they offer a sensitive, direct and simple to interpret approach to exploration of the functional activity of hydrogen atoms in proteins. Partial deuteration can add most valuable selectivity by groups of hydrogen atoms. "This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazù and Dr. Federica Migliardo". Copyright © 2016 Elsevier B.V. All rights reserved.

14 CFR 23.441 - Maneuvering loads.

Code of Federal Regulations, 2011 CFR

2011-01-01

... unaccelerated flight at zero yaw, it is assumed that the rudder control is suddenly displaced to the maximum deflection, as limited by the control stops or by limit pilot forces. (2) With the rudder deflected as... sideslip angle. In lieu of a rational analysis, an overswing angle equal to 1.5 times the static sideslip...

Nonlinear quasi-static analysis of ultra-deep-water top-tension riser

NASA Astrophysics Data System (ADS)

Gao, Guanghai; Qiu, Xingqi; Wang, Ke; Liu, Jianjun

2017-09-01

In order to analyse the ultra-deep-water top-tension riser deformation in drilling conditions, a nonlinear quasi-static analysis model and equation are established. The riser in this model is regarded as a simply supported beam located in the vertical plane and is subjected to non-uniform axial and lateral forces. The model and the equation are solved by the finite element method. The effects of riser outside diameter, top tension ratio, sea surface current velocity, drag force coefficient, floating system drift distance and water depth on the riser lateral displacement are discussed. Results show that the riser lateral displacement increase with the increase in the sea surface current velocity, drag force coefficient and water depth, whereas decrease with the increase in the riser outside diameter, top tension ratio. The top tension ratio has an important influence on the riser deformation and it should be set reasonably under different circumstances. The drift of the floating system has a complicated influence on the riser deformation and it should avoid a large drift distance in the proceedings of drilling and production.

Displacement of dental implants in trabecular bone under a static lateral load in fresh bovine bone.

PubMed

Engelke, Wilfried; Müller, Alois; Decco, Oscar A; Rau, María J; Cura, Andrea C; Ruscio, Mara L; Knösel, Michael

2013-04-01

The study aims to provide objective data for the displacement of titanium screw implants in trabecular bone specimens. One hundred Semados implants (Bego, Bremen, Germany) were inserted in bovine type IV bone specimens. All implants had a diameter of 3.75 mm; 50 implants had a length of 8.5 mm and 50 implants had a length of 15 mm. Insertion torque was determined at intervals of 10, 20, and 30 Ncm. Implants were loaded horizontally with 10, 20, and 30 N for 2 seconds. An indicator strip was attached to the implant abutment to allow direct observation of implant movement relative to the bone surface. Horizontal displacement was assessed with an accuracy of measurement of 10 µm. Seven implants got lost by visible loosening. Degree of displacement was subject to evaluation with all others. Those implants showed a mean displacement of 59 µm for 10 N (n = 100), 173 µm for 20 N (n = 99), and 211 µm for 30 N (n = 93). The mean displacement of 15-mm implants (16, 37, 51 µm) was significantly lower compared with 8.5-mm implants (103, 311, 396 µm) corresponding to 10, 20, and 30 N as lateral loads. Displacement of screw implants in trabecular bone can be detected and visualized using commercially available endoscopes with a high magnification. A lateral load of 20 N indicates a mean displacement of over 100 µm and therefore results in a critical displacement. © 2011 Wiley Periodicals, Inc.

A curved electrode electrostatic actuator designed for large displacement and force in an underwater environment

NASA Astrophysics Data System (ADS)

Preetham, B. S.; Lake, Melinda A.; Hoelzle, David J.

2017-09-01

There is a need for the development of large displacement (O (10-6) m) and force (O (10-6) N) electrostatic actuators with low actuation voltages (<  ±8 V) for underwater bio-MEMS applications. In this paper, we present the design, fabrication, and characterization of a curved electrode electrostatic actuator in a clamped-clamped beam configuration meant to operate in an underwater environment. Our curved electrode actuator is unique in that it operates in a stable manner past the pull-in instability. Models based on the Rayleigh-Ritz method accurately predict the onset of static instability and the displacement versus voltage function, as validated by quasistatic experiments. We demonstrate that the actuator is capable of achieving a large peak-to-peak displacement of 19.5 µm and force of 43 µN for a low actuation voltage of less than  ±8 V and is thus appropriate for underwater bio-MEMS applications.

EFFECTS OF OVERPRESSURES IN GROUP SHELTERS ON ANIMALS AND DUMMIES

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

Roberts, J.E.; White, C.S.; Chiffelle, T.L.

1953-09-01

S>Relative biological hazards of blast were studied in two types of communal air-raid shelters during Shots 1 and 8. Dogs, restrained within the shelters during detonation, were studied pathologically and clinically for blast injuries. Two anthropometric dummies were test objects for displacement studies utilizing high-speed photography. Physical data included pressure vs time and air-drag determinations. During Shot 1, animals sustained marked blast damages (hemorrhages in lungs and abdominal organs), three dogs were ataxic. and the dummies were rather violently displaced. In Shot 8, however, no significant injuries were found in the animals, and the dummies were minimally displaced. Analysis ofmore » the physical data indicated that blast injuries and violent displacements may occur at much lower static overpressures than previously assumed from conventional explosion data. Furthermore, biological damage appeared to be related to the rate of rise of the overpressure and air drag, as well as the maximum overpressure values. (auth)« less

A new hybrid piezo-actuated compliant mechanism with self-tuned flexure arm

NASA Astrophysics Data System (ADS)

Ling, Mingxiang; Cao, Junyi

2017-04-01

Recent interests and demands for developing video-rate atomic force microscopes, high-throughput probe-based nanofabrication and high-frequency vibration generator for assisted-machining are increasingly posing new challenges for designing high-bandwidth and large-range piezo-actuated compliant mechanisms. The previous studies mainly focused on making the trade-off between natural frequency and motion range by designing a proper topology. Differing from the previous works, this paper attempts to break the deadlock by employing both piezo-stacks and piezoelectric patches to actuate compliant mechanisms. In this method, piezo-stacks provide an actuating force similar to the traditional way, while piezoelectric patches are bonded on the surface of the flexure arms in compliant mechanisms. These `active' laminaes are used to further actuate the hosting flexural beam by inducing strains on the interface and then give additional bending moments to the flexural arms, which enlarge the output displacement of the compliant mechanism while without the sacrifice of natural frequency. An analytical formulation is established to illustrate the new driving principle and the compound static behaviour of a specific hybrid piezo-actuated multistage compliant mechanism. Initial prototype is also manufactured and experimentally testing is conducted to verify the feasibility of the method.

Highly Anisotropic Adhesive Film Made from Upside-Down, Flat, and Uniform Vertically Aligned CNTs.

PubMed

Hong, Sanghyun; Lundstrom, Troy; Ghosh, Ranajay; Abdi, Hamed; Hao, Ji; Jeoung, Sun Kyoung; Su, Paul; Suhr, Jonghwan; Vaziri, Ashkan; Jalili, Nader; Jung, Yung Joon

2016-12-14

We have created a multifunctional dry adhesive film with transferred vertically aligned carbon nanotubes (VA-CNTs). This unique VA-CNT film was fabricated by a multistep transfer process, converting the flat and uniform bottom of VA-CNTs grown on atomically flat silicon wafer substrates into the top surface of an adhesive layer. Unlike as-grown VA-CNTs, which have a nonuniform surface, randomly entangled CNT arrays, and a weak interface between the CNTs and substrates, this transferred VA-CNT film shows an extremely high coefficient of static friction (COF) of up to 60 and a shear adhesion force 30 times higher (12 N/cm 2 ) than that of the as-grown VA-CNTs under a very small preloading of 0.2 N/cm 2 . Moreover, a near-zero normal adhesion force was observed with 20 mN/cm 2 preloading and a maximum 100-μm displacement in a piezo scanner, demonstrating ideal properties for an artificial gecko foot. Using this unique structural feature and anisotropic adhesion properties, we also demonstrate effective removal and assembly of nanoparticles into organized micrometer-scale circular and line patterns by a single brushing of this flat and uniform VA-CNT film.

Coherence Preservation of a Single Neutral Atom Qubit Transferred between Magic-Intensity Optical Traps.

PubMed

Yang, Jiaheng; He, Xiaodong; Guo, Ruijun; Xu, Peng; Wang, Kunpeng; Sheng, Cheng; Liu, Min; Wang, Jin; Derevianko, Andrei; Zhan, Mingsheng

2016-09-16

We demonstrate that the coherence of a single mobile atomic qubit can be well preserved during a transfer process among different optical dipole traps (ODTs). This is a prerequisite step in realizing a large-scale neutral atom quantum information processing platform. A qubit encoded in the hyperfine manifold of an ^{87}Rb atom is dynamically extracted from the static quantum register by an auxiliary moving ODT and reinserted into the static ODT. Previous experiments were limited by decoherences induced by the differential light shifts of qubit states. Here, we apply a magic-intensity trapping technique which mitigates the detrimental effects of light shifts and substantially enhances the coherence time to 225±21  ms. The experimentally demonstrated magic trapping technique relies on the previously neglected hyperpolarizability contribution to the light shifts, which makes the light shift dependence on the trapping laser intensity parabolic. Because of the parabolic dependence, at a certain "magic" intensity, the first order sensitivity to trapping light-intensity variations over ODT volume is eliminated. We experimentally demonstrate the utility of this approach and measure hyperpolarizability for the first time. Our results pave the way for constructing scalable quantum-computing architectures with single atoms trapped in an array of magic ODTs.

Study of magnetic resonance with parametric modulation in a potassium vapor cell

NASA Astrophysics Data System (ADS)

Zhang, Rui; Wang, Zhiguo; Peng, Xiang; Li, Wenhao; Li, Songjian; Guo, Hong; Cream Team

2017-04-01

A typical magnetic-resonance scheme employs a static bias magnetic field and an orthogonal driving magnetic field oscillating at the Larmor frequency, at which the atomic polarization precesses around the static magnetic field. We demonstrate in a potassium vapor cell the variations of the resonance condition and the spin precession dynamics resulting from the parametric modulation of the bias field, which are in well agreement with theoretical predictions from the Bloch equation. We show that, the driving magnetic field with the frequency detuned by different harmonics of the parametric modulation frequency can lead to resonance as well. Also, a series of frequency sidebands centered at the driving frequency and spaced by the parametric modulation frequency can be observed in the precession of the atomic polarization. These effects could be used in different atomic magnetometry applications. This work is supported by the National Science Fund for Distinguished Young Scholars of China (Grant No. 61225003) and the National Natural Science Foundation of China (Grant Nos. 61531003 and 61571018).

On the temperature dependence of H-U{sub iso} in the riding hydrogen model

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

Lübben, Jens; Volkmann, Christian; Grabowsky, Simon

The temperature dependence of hydrogen U{sub iso} and parent U{sub eq} in the riding hydrogen model is investigated by neutron diffraction, aspherical-atom refinements and QM/MM and MO/MO cluster calculations. Fixed values of 1.2 or 1.5 appear to be underestimated, especially at temperatures below 100 K. The temperature dependence of H-U{sub iso} in N-acetyl-l-4-hydroxyproline monohydrate is investigated. Imposing a constant temperature-independent multiplier of 1.2 or 1.5 for the riding hydrogen model is found to be inaccurate, and severely underestimates H-U{sub iso} below 100 K. Neutron diffraction data at temperatures of 9, 150, 200 and 250 K provide benchmark results for thismore » study. X-ray diffraction data to high resolution, collected at temperatures of 9, 30, 50, 75, 100, 150, 200 and 250 K (synchrotron and home source), reproduce neutron results only when evaluated by aspherical-atom refinement models, since these take into account bonding and lone-pair electron density; both invariom and Hirshfeld-atom refinement models enable a more precise determination of the magnitude of H-atom displacements than independent-atom model refinements. Experimental efforts are complemented by computing displacement parameters following the TLS+ONIOM approach. A satisfactory agreement between all approaches is found.« less

Ab initio molecular dynamics simulations of AlN responding to low energy particle radiation

NASA Astrophysics Data System (ADS)

Xi, Jianqi; Liu, Bin; Zhang, Yanwen; Weber, William J.

2018-01-01

Ab initio molecular dynamics simulations of low energy recoil events in wurtzite AlN have been performed to determine threshold displacement energies, defect production and evolution mechanisms, role of partial charge transfer during the process, and the influence of irradiation-induced defects on the properties of AlN. The results show that the threshold displacement energies, Ed, along the direction parallel to the basal planes are smaller than those perpendicular to the basal planes. The minimum Ed values are determined to be 19 eV and 55 eV for N and Al atom, respectively, which occur along the [ 1 ¯ 1 ¯ 20 ] direction. In general, the threshold displacement energies for N are smaller than those for Al atom, indicating the N defects would be dominant under irradiation. The defect production mechanisms have been analyzed. It is found that charge transfer and redistribution for both the primary knock-on atom and the subsequent recoil atoms play a significant role in defect production and evolution. Similar to the trend in oxide materials, there is a nearly linear relationship between Ed and the total amount of charge transfer at the potential energy peak in AlN, which provides guidance on the development of charge-transfer interatomic potentials for classic molecular dynamics simulations. Finally, the response behavior of AlN to low energy irradiation is qualitatively investigated. The existence of irradiation-induced defects significantly modifies the electronic structure, and thus affects the magnetic, electronic and optical properties of AlN. These findings further enrich the understanding of defects in the wide bandgap semiconductor of AlN.

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 symmetric cross-ply laminated elastic plates using a higher-order theory. I - Stress and displacement

NASA Technical Reports Server (NTRS)

Librescu, L.; Khdeir, A. A.

1988-01-01

A simple theory for bending of composite anisotropic plates that are laminated symmetrically about their mid-plane is presented. This theory incorporates transverse shear deformation and transverse normal stress as well as the higher-order effects and fulfills the static conditions on the external boundary planes. Further on, by using Levy-type solutions considered in conjunction with the state space concept, the state of stress and displacement of rectangular plates for a variety of edge conditions is determined and the results are compared to their first-order shear deformation and classical counterparts, obtained by using the same state-space technique.

Geodetic measurement of deformation in the Loma Prieta, California earthquake with very long baseline interferometry

NASA Technical Reports Server (NTRS)

Clark, T. A.; Ma, C.; Sauber, J. M.; Ryan, J. W.; Gordon, D.; Shaffer, D. B.; Carprette, D. S.; Vandenberg, N. R.

1990-01-01

VLBI measurements were conducted immediately after the Loma Prieta earthquake and compared with VLBI gathered at Monterey, San Francisco, and Point Reyes since 1983 to obtain preearthquake deformation rates with respect to a North American reference frame. The estimated displacements at Monterey and San Francisco are consistent with the static displacements predicted on the basis of a coseismic slip model in which slip on the southern segment is shallower than slip on the northern segment of the fault rupture. Cartesian positions are presented at epoch 1990.0 of a set of VLBI fiducial stations and the three mobile sites in the earthquake's vicinity.

Finite element analysis of metal matrix composite blade

NASA Astrophysics Data System (ADS)

Isai Thamizh, R.; Velmurugan, R.; Jayagandhan, R.

2016-10-01

In this work, compressor rotor blade of a gas turbine engine has been analyzed for stress, maximum displacement and natural frequency using ANSYS software for determining its failure strength by simulating the actual service conditions. Static stress analysis and modal analysis have been carried out using Ti-6Al-4V alloy, which is currently used in compressor blade. The results are compared with those obtained using Ti matrix composites reinforced with SiC. The advantages of using metal matrix composites in the gas turbine compressor blades are investigated. From the analyses carried out, it seems that composite rotor blades have lesser mass, lesser tip displacement and lower maximum stress values.

Shear-flexible finite-element models of laminated composite plates and shells

NASA Technical Reports Server (NTRS)

Noor, A. K.; Mathers, M. D.

1975-01-01

Several finite-element models are applied to the linear static, stability, and vibration analysis of laminated composite plates and shells. The study is based on linear shallow-shell theory, with the effects of shear deformation, anisotropic material behavior, and bending-extensional coupling included. Both stiffness (displacement) and mixed finite-element models are considered. Discussion is focused on the effects of shear deformation and anisotropic material behavior on the accuracy and convergence of different finite-element models. Numerical studies are presented which show the effects of increasing the order of the approximating polynomials, adding internal degrees of freedom, and using derivatives of generalized displacements as nodal parameters.

Atomic-scale evidence for displacive disorder in bismuth zinc niobate pyrochlore.

PubMed

Jia, Chun-Lin; Jin, Lei; Chen, Yue-Hua; Urban, Knut W; Wang, Hong

2018-05-30

Pyrochlores characterized by the chemical formula A 2 B 2 O 7 form an extended class of materials with interesting physical and chemical properties. The compound Bi 1.5 ZnNb 1.5 O 7 is prototypical. Its excellent dielectric properties make it attractive, e.g. for capacitors, tunable microwave devices and electric-energy storage equipment. Bi 1.5 ZnNb 1.5 O 7 shows an intriguing frequency-dispersive dielectric relaxation at 50 K ≤ T ≤ 250 K, which has been studied intensively but is still not fully understood. In this first study on a pyrochlore by atomic-resolution transmission electron microscopy we observe the Bi atoms on A sites since, due to their low nuclear charge, the contribution of Zn atoms to the contrast of these sites is negligible. We find in our [1¯00]and [112] oriented images that the position of the atomic intensity maxima do not coincide with the projected Wyckoff positions of the basic pyrochlore lattice. This supplies atomic-scale evidence for displacive disorder on split A-type sites. The Bi atoms are sessile, only occasionally we observe in time sequences of images jumps between individual split-site positions. The apertaining jump rate of the order of 0.1-1 Hz is by ten orders of magnitude lower than the values derived in the literature from Arrhenius plots of the low-temperature dielectric relaxation data. It is argued that these jumps are radiation induced. Therefore our observations are ruling out a contribution of Bi-atom jumps to low-temperature dielectric A sites-related relaxation. It is suggested that this relaxation is mediated by jumps of Zn atoms. Copyright © 2018. Published by Elsevier B.V.

Diffusion and the dynamics of displacive phase transitions in cryolite (Na3AlF6) and chiolite (Na5Al3F14): Multi-nuclear NMR studies

NASA Astrophysics Data System (ADS)

Spearing, Dane R.; Stebbins, Jonathan F.; Farnan, Ian

1994-10-01

Cryolite is a mixed-cation perovskite (Na2(NaAl)F6) which undergoes a monoclinic to orthorhombic displacive phase transition at ˜550° C. Chiolite (Na5Al3F14) is associated with cryolite in natural deposits, and consists of sheets of corner sharing [AlF6] octahedra interlayered with edge-sharing [NaF6] octahedra. Multi-nuclear NMR line shape and relaxation time (T1) studies were performed on cryolite and chiolite in order to gain a better understanding of the atomic motions associated with the phase transition in cryolite, and Na diffusion in cryolite and chiolite. 27Al, 23Na, and 19F static NMR spectra and T1's in cryolite suggest that oscillatory motions of the [AlF6] octahedra among four micro-twin and anti-phase domains in α-cryolite begin at least 150° C below the transition temperature and persist above it. Variable temperature 23Na MAS NMR further indicates diffusional exchange at a rate of at least 13 kHz between the Na sites by the time the transition temperature is reached. 27Al and 23Na T1's show the same behavior with increasing temperature, indicating the same relaxation mechanisms are responsible for both. The first order nature of the cryolite transition is apparent as a jump in the 23Na and 27Al T1's. Above the transition temperature, the T1's decrease slightly indicating that the motions responsible for the drop in T1, are still present above the transition, further supporting the dynamic nature of the high temperature phase of cryolite. Chiolite 23Na static spectra decrease in linewidth with increasing temperature, indicating increased Na diffusion, which is interpreted as occurring within the [NaF6] sheets in the chiolite structure, but not between the two different Na sites. 27Al and 23Na T1's show similar behavior as in cryolite, but there is no discontinuity due to a phase transition. 19F T1's are constant from room temperature to 150° C indicating no oscillatory motion of the [AlF6] octahedra in chiolite.

Crystal structure refinement of ReSi1.75 with an ordered arrangement of silicon vacancies

NASA Astrophysics Data System (ADS)

Harada, Shunta; Hoshikawa, Hiroaki; Kuwabara, Kosuke; Tanaka, Katsushi; Okunishi, Eiji; Inui, Haruyuki

2011-08-01

The crystal structure and microstructure of ReSi1.75 were investigated by synchrotron X-ray diffraction combined with scanning transmission electron microscopy. ReSi1.75 contains an ordered arrangement of vacancies in Si sites in the underlying tetragonal C11b lattice of the MoSi2-type and the crystal structure is monoclinic with the space group Cm. Atomic positions of Si atoms near vacancies are considerably displaced from the corresponding positions in the parent C11b structure, and they exhibit anomalously large local thermal vibration accompanied by large values of atomic displacement parameter. There are four differently-oriented domains with two of them being related to each other by the 90° rotation about the c-axis of the underlying C11b lattice and the other two being their respective twins. The habit planes for domain boundaries observed experimentally are consistent with those predicted with ferroelastic theory.

Is the Oxygen Atom Static or Dynamic? The Effect of Generating Animations on Students' Mental Models of Atomic Structure

ERIC Educational Resources Information Center

Akaygun, Sevil

2016-01-01

Visualizing the chemical structure and dynamics of particles has been challenging for many students; therefore, various visualizations and tools have been used in chemistry education. For science educators, it has been important to understand how students visualize and represent particular phenomena--i.e., their mental models-- to design more…

Atomistic Simulation of Displacement Cascades in Zircon

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

Devanathan, Ram; Weber, William J.; Corrales, Louis R.

2002-05-06

Low energy displacement cascades in zircon (ZrSiO4) initiated by a Zr primary knock-on atom have been investigated by molecular dynamics simulations using a Coulombic model for long-range interactions, Buckingham potential for short-range interactions and Ziegler-Biersack potentials for close pair interactions. Displacements were found to occur mainly in the O sublattice, and O replacements by a ring mechanism were predominant. Clusters containing Si interstitials bridged by O interstitials, vacancy clusters and anti-site defects were found to occur. This Si-O-Si bridging is considerable in quenched liquid ZrSiO4.

Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement

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

Sakuma, Takashi, E-mail: sakuma@mx.ibaraki.ac.jp; Makhsun,; Sakai, Ryutaro

2015-04-16

Diffuse neutron scattering measurement on BaF{sub 2} crystals was performed at 10 K and 295 K. Oscillatory form in the diffuse scattering intensity of BaF{sub 2} was observed at 295 K. The correlation effects among thermal displacements of F-F atoms were obtained from the analysis of oscillatory diffuse scattering intensity. The force constants among neighboring atoms in BaF{sub 2} were determined and compared to those in ionic crystals and semiconductors.

Very High-rate (50 Hz) GPS for Detection of Earthquake Ground Motions : How High Do We Need to Go?

NASA Astrophysics Data System (ADS)

Fang, R.

2017-12-01

The GPS variometric approach can measure displacements using broadcast ephemeris and a single receiver, with comparable precision to relative positioning and PPP within a short period of time. We evaluate the performance of the variometric approach to measure displacements using very high-rate (50 Hz) GPS data, which recorded from the 2013 Mw 6.6 Lushan earthquake and the 2011 Mw 9.0 Tohoku-Oki earthquake. To remove the nonlinear drift due to integration process, we present to apply a high-pass filter to reconstruct displacements using the variometric approach. Comparison between 50 Hz and 1 Hz coseismic displacements demonstrates that 1 Hz solutions often fail to faithfully manifest the seismic waves containing high-frequency (> 0.5 Hz) seismic signals, which is common for near-field stations during a moderate-magnitude earthquake. Therefore, in order to reconstruct near-field seismic waves caused by moderate or large earthquakes, it is helpful to equip monitoring stations with very high-rate GPS receivers. Results derived using the variometric approach are compared with PPP results. They display very good consistence within only a few millimeters both in static and seismic periods. High-frequency (above 10 Hz) noises of displacements derived using the variometric approach are smaller than PPP displacements in three components.

Anisotropic polarization π -molecular skeleton coupled dynamics in proton-displacive organic ferroelectrics

NASA Astrophysics Data System (ADS)

Fujioka, J.; Horiuchi, S.; Kida, N.; Shimano, R.; Tokura, Y.

2009-09-01

We have investigated the polarization π -molecular skeleton coupled dynamics for the proton-displacive organic ferroelectrics, cocrystal of phenazine with the 2,5-dihalo-3,6-dihydroxy-p-benzoquinones by measurements of the terahertz/infrared spectroscopy. In the course of the ferroelectric-to-paraelectric transition, the ferroelectric soft phonon mode originating from the intermolecular dynamical displacement is observed in the imaginary part of dielectric spectra γ2 , when the electric field of the light (E) is parallel to the spontaneous polarization (P) . The soft phonon mode is isolated from the intramolecular vibrational mode and hence the intramolecular skeleton dynamics is almost decoupled from the polarization fluctuation. In the spectra for E parallel to the hydrogen-bonded supramolecular chain, by contrast, the vibrational mode mainly originating from the oxygen atom motion within the π -molecular plane is anomalously blurred and amalgamated into the polarization relaxation mode concomitantly with the dynamical proton disorder. This indicates that the dynamical disorder of the intramolecular skeleton structure, specifically that of oxygen atom, is strongly enhanced by the proton fluctuation and is significantly coupled to the polarization fluctuation along the hydrogen-bonded supramolecular chain. The results are discussed in terms of the proton-mediated anisotropic polarization π -molecular skeleton interaction, which characterizes these emerging proton-displacive ferroelectrics.

Performance of Koyna dam based on static and dynamic analysis

NASA Astrophysics Data System (ADS)

Azizan, Nik Zainab Nik; Majid, Taksiah A.; Nazri, Fadzli Mohamed; Maity, Damodar

2017-10-01

This paper discusses the performance of Koyna dam based on static pushover analysis (SPO) and incremental dynamic analysis (IDA). The SPO in this study considered two type of lateral load which is inertial load and hydrodynamic load. The structure was analyse until the damage appears on the structure body. The IDA curves were develop based on 7 ground motion, where the characteristic of the ground motions: i) the distance from the epicenter is less than 15km, (ii) the magnitude is equal to or greater than 5.5 and (iii) the PGA is equal to or greater than 0.15g. All the ground motions convert to respond spectrum and scaled according to the developed elastic respond spectrum in order to match the characteristic of the ground motion to the soil type. Elastic respond spectrum developed based on soil type B by using Eurocode 8. By using SPO and IDA method are able to determine the limit states of the dam. The limit state proposed in this study are yielding and ultimate state which is identified base on crack pattern perform on the structure model. The comparison of maximum crest displacement for both methods is analysed to define the limit state of the dam. The displacement of yielding state for Koyna dam is 23.84mm and 44.91mm for the ultimate state. The results are able to be used as a guideline to monitor Koyna dam under seismic loadings which are considering static and dynamic.

Coseismic slip distribution of the February 27, 2010 Mw 8.9 Maule, Chile earthquake

USGS Publications Warehouse

Pollitz, Fred F.; Brooks, Ben; Tong, Xiaopeng; Bevis, Michael G.; Foster, James H.; Burgmann, Roland

2011-01-01

[1] Static offsets produced by the February 27, 2010 Mw = 8.8 Maule, Chile earthquake as measured by GPS and InSAR constrain coseismic slip along a section of the Andean megathrust of dimensions 650 km (in length) × 180 km (in width). GPS data have been collected from both campaign and continuous sites sampling both the near-field and far field. ALOS/PALSAR data from several ascending and descending tracks constrain the near-field crustal deformation. Inversions of the geodetic data for distributed slip on the megathrust reveal a pronounced slip maximum of order 15 m at ∼15–25 km depth on the megathrust offshore Lloca, indicating that seismic slip was greatest north of the epicenter of the bilaterally propagating rupture. A secondary slip maximum appears at depth ∼25 km on the megathrust just west of Concepción. Coseismic slip is negligible below 35 km depth. Estimates of the seismic moment based on different datasets and modeling approaches vary from 1.8 to 2.6 × 1022 N m. Our study is the first to model the static displacement field using a layered spherical Earth model, allowing us to incorporate both near-field and far-field static displacements in a consistent manner. The obtained seismic moment of 1.97 × 1022 N m, corresponding to a moment magnitude of 8.8, is similar to that obtained by previous seismic and geodetic inversions.

Quantum sensing of the phase-space-displacement parameters using a single trapped ion

NASA Astrophysics Data System (ADS)

Ivanov, Peter A.; Vitanov, Nikolay V.

2018-03-01

We introduce a quantum sensing protocol for detecting the parameters characterizing the phase-space displacement by using a single trapped ion as a quantum probe. We show that, thanks to the laser-induced coupling between the ion's internal states and the motion mode, the estimation of the two conjugated parameters describing the displacement can be efficiently performed by a set of measurements of the atomic state populations. Furthermore, we introduce a three-parameter protocol capable of detecting the magnitude, the transverse direction, and the phase of the displacement. We characterize the uncertainty of the two- and three-parameter problems in terms of the Fisher information and show that state projective measurement saturates the fundamental quantum Cramér-Rao bound.

Aftershock triggering by complete Coulomb stress changes

USGS Publications Warehouse

Kilb, Debi; Gomberg, J.; Bodin, P.

2002-01-01

We examine the correlation between seismicity rate change following the 1992, M7.3, Landers, California, earthquake and characteristics of the complete Coulomb failure stress (CFS) changes (??CFS(t)) that this earthquake generated. At close distances the time-varying "dynamic" portion of the stress change depends on how the rupture develops temporally and spatially and arises from radiated seismic waves and from permanent coseismic fault displacement. The permanent "static" portion (??CFS) depends only on the final coseismic displacement. ??CFS diminishes much more rapidly with distance than the transient, dynamic stress changes. A common interpretation of the strong correlation between ??CFS and aftershocks is that load changes can advance or delay failure. Stress changes may also promote failure by physically altering properties of the fault or its environs. Because it is transient, ??CFS(t) can alter the failure rate only by the latter means. We calculate both ??CFS and the maximum positive value of ??CFS(t) (peak ??CFS(t)) using a reflectivity program. Input parameters are constrained by modeling Landers displacement seismograms. We quantify the correlation between maps of seismicity rate changes and maps of modeled ??CFS and peak ??CFS(t) and find agreement for both models. However, rupture directivity, which does not affect ??CFS, creates larger peak ??CFS(t) values northwest of the main shock. This asymmetry is also observed in seismicity rate changes but not in ??CFS. This result implies that dynamic stress changes are as effective as static stress changes in triggering aftershocks and may trigger earthquakes long after the waves have passed.

[Dynamics of biomacromolecules in coherent electromagnetic radiation field].

PubMed

Leshcheniuk, N S; Apanasevich, E E; Tereshenkov, V I

2014-01-01

It is shown that induced oscillations and periodic displacements of the equilibrium positions occur in biomacromolecules in the absence of electromagnetic radiation absorption, due to modulation of interaction potential between atoms and groups of atoms forming the non-valence bonds in macromolecules by the external electromagnetic field. Such "hyperoscillation" state causes inevitably the changes in biochemical properties of macromolecules and conformational transformation times.

5-Bromo-2-methyl­pyridine N-oxide

PubMed Central

Liu, Bo-Nian; Tang, Shi-Gui; Li, Hao-Yuan; Xu, Ye-Ming; Guo, Cheng

2008-01-01

In the mol­ecule of the title compound, C6H6BrNO, the methyl C and oxide O atoms lie in the pyridine ring plane, while the Br atom is displaced by 0.103 (3) Å. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. PMID:21202579

Short-range correlations control the G/K and Poisson ratios of amorphous solids and metallic glasses

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

Zaccone, Alessio; Terentjev, Eugene M.

2014-01-21

The bulk modulus of many amorphous materials, such as metallic glasses, behaves nearly in agreement with the assumption of affine deformation, namely that the atoms are displaced just by the amount prescribed by the applied strain. In contrast, the shear modulus behaves as for nonaffine deformations, with additional displacements due to the structural disorder which induce a marked material softening to shear. The consequence is an anomalously large ratio of the bulk modulus to the shear modulus for disordered materials characterized by dense atomic packing, but not for random networks with point atoms. We explain this phenomenon with a microscopicmore » derivation of the elastic moduli of amorphous solids accounting for the interplay of nonaffinity and short-range particle correlations due to excluded volume. Short-range order is responsible for a reduction of the nonaffinity which is much stronger under compression, where the geometric coupling between nonaffinity and the deformation field is strong, whilst under shear this coupling is weak. Predictions of the Poisson ratio based on this model allow us to rationalize the trends as a function of coordination and atomic packing observed with many amorphous materials.« less

Extended x-ray absorption fine structure study of phase transitions in the piezoelectric perovskite K0.5Na0.5NbO3

NASA Astrophysics Data System (ADS)

Kodre, A.; Tellier, J.; Arčon, I.; Malič, B.; Kosec, M.

2009-06-01

Following an x-ray diffraction study of phase transitions of the piezoelectric perovskite K0.5Na0.5NbO3 the structural changes of the material are studied using extended x-ray absorption fine structure analysis, whereby the neighborhood of Nb atom is determined in the temperature range of monoclinic, tetragonal, and cubic phases. Within the entire range Nb atom is displaced from the center of the octahedron of its immediate oxygen neighbors, as witnessed by the splitting of Nb-O distance. The model shows high prevalence of the displacement in the (111) crystallographic direction of the simple perovskite cell. The corresponding splitting of the Nb-Nb distance is negligible. There is no observable disalignment of the linear Nb-O-Nb bonds from the ideal cubic arrangement, judging from the intensity of the focusing of the photoelectron wave on the Nb-Nb scattering path by the interposed oxygen atom. As a general result, the phase transitions are found as an effect of the long-range order, while the placement of the atoms in the immediate vicinity remains largely unaffected.

Atomic motion from the mean square displacement in a monatomic liquid

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

Wallace, Duane C.; De Lorenzi-Venneri, Giulia; Chisolm, Eric D.

V-T theory is constructed in the many-body Hamiltonian formulation, and is being developed as a novel approach to liquid dynamics theory. In this theory the liquid atomic motion consists of two contributions, normal mode vibrations in a single representative potential energy valley, and transits, which carry the system across boundaries between valleys. The mean square displacement time correlation function (the MSD) is a direct measure of the atomic motion, and our goal is to determine if the V-T formalism can produce a physically sensible account of this motion. We employ molecular dynamics (MD) data for a system representing liquid Na,more » and find the motion evolves in three successive time intervals: on the first 'vibrational' interval, the vibrational motion alone gives a highly accurate account of the MD data; on the second 'crossover' interval, the vibrational MSD saturates to a constant while the transit motion builds up from zero; on the third 'random walk' interval, the transit motion produces a purely diffusive random walk of the vibrational equilibrium positions. Furthermore, this motional evolution agrees with, and adds refinement to, the MSD atomic motion as described by current liquid dynamics theories.« less

Atomic motion from the mean square displacement in a monatomic liquid

DOE PAGES

Wallace, Duane C.; De Lorenzi-Venneri, Giulia; Chisolm, Eric D.

2016-04-08

V-T theory is constructed in the many-body Hamiltonian formulation, and is being developed as a novel approach to liquid dynamics theory. In this theory the liquid atomic motion consists of two contributions, normal mode vibrations in a single representative potential energy valley, and transits, which carry the system across boundaries between valleys. The mean square displacement time correlation function (the MSD) is a direct measure of the atomic motion, and our goal is to determine if the V-T formalism can produce a physically sensible account of this motion. We employ molecular dynamics (MD) data for a system representing liquid Na,more » and find the motion evolves in three successive time intervals: on the first 'vibrational' interval, the vibrational motion alone gives a highly accurate account of the MD data; on the second 'crossover' interval, the vibrational MSD saturates to a constant while the transit motion builds up from zero; on the third 'random walk' interval, the transit motion produces a purely diffusive random walk of the vibrational equilibrium positions. Furthermore, this motional evolution agrees with, and adds refinement to, the MSD atomic motion as described by current liquid dynamics theories.« less

Electric field dependent local structure of (KxNa1-x) 0.5B i0.5Ti O3

NASA Astrophysics Data System (ADS)

Goetzee-Barral, A. J.; Usher, T.-M.; Stevenson, T. J.; Jones, J. L.; Levin, I.; Brown, A. P.; Bell, A. J.

2017-07-01

The in situ x-ray pair-distribution function (PDF) characterization technique has been used to study the behavior of (KxNa1-x) 0.5B i0.5Ti O3 , as a function of electric field. As opposed to conventional x-ray Bragg diffraction techniques, PDF is sensitive to local atomic displacements, detecting local structural changes at the angstrom to nanometer scale. Several field-dependent ordering mechanisms can be observed in x =0.15 , 0.18 and at the morphotropic phase boundary composition x =0.20 . X-ray total scattering shows suppression of diffuse scattering with increasing electric-field amplitude, indicative of an increase in structural ordering. Analysis of PDF peaks in the 3-4-Å range shows ordering of Bi-Ti distances parallel to the applied electric field, illustrated by peak amplitude redistribution parallel and perpendicular to the electric-field vector. A transition from <110 > to <112 > -type off-center displacements of Bi relative to the neighboring Ti atoms is observable with increasing x . Analysis of PDF peak shift with electric field shows the effects of Bi-Ti redistribution and onset of piezoelectric lattice strain. The combination of these field-induced ordering mechanisms is consistent with local redistribution of Bi-Ti distances associated with domain reorientation and an overall increase in order of atomic displacements.

Electric field dependent local structure of ( K x N a 1 - x ) 0.5 B i 0.5 Ti O 3

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

Goetzee-Barral, A. J.; Usher, T. -M.; Stevenson, T. J.

The in situ x-ray pair-distribution function (PDF) characterization technique has been used to study the behavior of (K xNa 1–x) 0.5Bi 0.5TiO 3, as a function of electric field. As opposed to conventional x-ray Bragg diffraction techniques, PDF is sensitive to local atomic displacements, detecting local structural changes at the angstrom to nanometer scale. Several field-dependent ordering mechanisms can be observed in x = 0.15, 0.18 and at the morphotropic phase boundary composition x = 0.20. X-ray total scattering shows suppression of diffuse scattering with increasing electric-field amplitude, indicative of an increase in structural ordering. Analysis of PDF peaks inmore » the 3–4-Å range shows ordering of Bi-Ti distances parallel to the applied electric field, illustrated by peak amplitude redistribution parallel and perpendicular to the electric-field vector. A transition from < 110 > to < 112 >-type off-center displacements of Bi relative to the neighboring Ti atoms is observable with increasing x. Analysis of PDF peak shift with electric field shows the effects of Bi-Ti redistribution and onset of piezoelectric lattice strain. Furthermore, the combination of these field-induced ordering mechanisms is consistent with local redistribution of Bi-Ti distances associated with domain reorientation and an overall increase in order of atomic displacements.« less

Primary radiation damage of Zr-0.5%Nb binary alloy: atomistic simulation by molecular dynamics method

NASA Astrophysics Data System (ADS)

Tikhonchev, M.; Svetukhin, V.; Kapustin, P.

2017-09-01

Ab initio calculations predict high positive binding energy (˜1 eV) between niobium atoms and self-interstitial configurations in hcp zirconium. It allows the expectation of increased niobium fraction in self-interstitials formed under neutron irradiation in atomic displacement cascades. In this paper, we report the results of molecular dynamics simulation of atomic displacement cascades in Zr-0.5%Nb binary alloy and pure Zr at the temperature of 300 K. Two sets of n-body interatomic potentials have been used for the Zr-Nb system. We consider a cascade energy range of 2-20 keV. Calculations show close estimations of the average number of produced Frenkel pairs in the alloy and pure Zr. A high fraction of Nb is observed in the self-interstitial configurations. Nb is mainly detected in single self-interstitial configurations, where its fraction reaches tens of percent, i.e. more than its tenfold concentration in the matrix. The basic mechanism of this phenomenon is the trapping of mobile self-interstitial configurations by niobium. The diffusion of pure zirconium and mixed zirconium-niobium self-interstitial configurations in the zirconium matrix at 300 K has been simulated. We observe a strong dependence of the estimated diffusion coefficients and fractions of Nb in self-interstitials produced in displacement cascades on the potential.

INCAS: an analytical model to describe displacement cascades

NASA Astrophysics Data System (ADS)

Jumel, Stéphanie; Claude Van-Duysen, Jean

2004-07-01

REVE (REactor for Virtual Experiments) is an international project aimed at developing tools to simulate neutron irradiation effects in Light Water Reactor materials (Fe, Ni or Zr-based alloys). One of the important steps of the project is to characterise the displacement cascades induced by neutrons. Accordingly, the Department of Material Studies of Electricité de France developed an analytical model based on the binary collision approximation. This model, called INCAS (INtegration of CAScades), was devised to be applied on pure elements; however, it can also be used on diluted alloys (reactor pressure vessel steels, etc.) or alloys composed of atoms with close atomic numbers (stainless steels, etc.). INCAS describes displacement cascades by taking into account the nuclear collisions and electronic interactions undergone by the moving atoms. In particular, it enables to determine the mean number of sub-cascades induced by a PKA (depending on its energy) as well as the mean energy dissipated in each of them. The experimental validation of INCAS requires a large effort and could not be carried out in the framework of the study. However, it was verified that INCAS results are in conformity with those obtained from other approaches. As a first application, INCAS was applied to determine the sub-cascade spectrum induced in iron by the neutron spectrum corresponding to the central channel of the High Flux Irradiation Reactor of Oak Ridge National Laboratory.

Electric field dependent local structure of ( K x N a 1 - x ) 0.5 B i 0.5 Ti O 3

DOE PAGES

Goetzee-Barral, A. J.; Usher, T. -M.; Stevenson, T. J.; ...

2017-07-31

The in situ x-ray pair-distribution function (PDF) characterization technique has been used to study the behavior of (K xNa 1–x) 0.5Bi 0.5TiO 3, as a function of electric field. As opposed to conventional x-ray Bragg diffraction techniques, PDF is sensitive to local atomic displacements, detecting local structural changes at the angstrom to nanometer scale. Several field-dependent ordering mechanisms can be observed in x = 0.15, 0.18 and at the morphotropic phase boundary composition x = 0.20. X-ray total scattering shows suppression of diffuse scattering with increasing electric-field amplitude, indicative of an increase in structural ordering. Analysis of PDF peaks inmore » the 3–4-Å range shows ordering of Bi-Ti distances parallel to the applied electric field, illustrated by peak amplitude redistribution parallel and perpendicular to the electric-field vector. A transition from < 110 > to < 112 >-type off-center displacements of Bi relative to the neighboring Ti atoms is observable with increasing x. Analysis of PDF peak shift with electric field shows the effects of Bi-Ti redistribution and onset of piezoelectric lattice strain. Furthermore, the combination of these field-induced ordering mechanisms is consistent with local redistribution of Bi-Ti distances associated with domain reorientation and an overall increase in order of atomic displacements.« less

Statics and dynamics of atomic dark-bright solitons in the presence of impurities

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

Achilleos, V.; Frantzeskakis, D. J.; Kevrekidis, P. G.

2011-11-15

Adopting a mean-field description for a two-component atomic Bose-Einstein condensate, we study the statics and dynamics of dark-bright solitons in the presence of localized impurities. We use adiabatic perturbation theory to derive an equation of motion for the dark-bright soliton center. We show that, counterintuitively, an attractive (repulsive) delta-like impurity, acting solely on the bright-soliton component, induces an effective localized barrier (well) in the effective potential felt by the soliton; this way, dark-bright solitons are reflected from (transmitted through) attractive (repulsive) impurities. Our analytical results for the small-amplitude oscillations of solitons are found to be in good agreement with resultsmore » obtained via a Bogoliubov-de Gennes analysis and direct numerical simulations.« less

Metal atom dynamics in superbulky metallocenes: a comparison of (Cp(BIG))2Sn and (Cp(BIG))2Eu.

PubMed

Harder, Sjoerd; Naglav, Dominik; Schwerdtfeger, Peter; Nowik, Israel; Herber, Rolfe H

2014-02-17

Cp(BIG)2Sn (Cp(BIG) = (4-n-Bu-C6H4)5cyclopentadienyl), prepared by reaction of 2 equiv of Cp(BIG)Na with SnCl2, crystallized isomorphous to other known metallocenes with this ligand (Ca, Sr, Ba, Sm, Eu, Yb). Similarly, it shows perfect linearity, C-H···C(π) bonding between the Cp(BIG) rings and out-of-plane bending of the aryl substituents toward the metal. Whereas all other Cp(BIG)2M complexes show large disorder in the metal position, the Sn atom in Cp(BIG)2Sn is perfectly ordered. In contrast, (119)Sn and (151)Eu Mößbauer investigations on the corresponding Cp(BIG)2M metallocenes show that Sn(II) is more dynamic and loosely bound than Eu(II). The large displacement factors in the group 2 and especially in the lanthanide(II) metallocenes Cp(BIG)2M can be explained by static metal disorder in a plane parallel to the Cp(BIG) rings. Despite parallel Cp(BIG) rings, these metallocenes have a nonlinear Cpcenter-M-Cpcenter geometry. This is explained by an ionic model in which metal atoms are polarized by the negatively charged Cp rings. The extent of nonlinearity is in line with trends found in M(2+) ion polarizabilities. The range of known calculated dipole polarizabilities at the Douglas-Kroll CCSD(T) level was extended with values (atomic units) for Sn(2+) 15.35, Sm(2+)(4f(6) (7)F) 9.82, Eu(2+)(4f(7) (8)S) 8.99, and Yb(2+)(4f(14) (1)S) 6.55. This polarizability model cannot be applied to predominantly covalently bound Cp(BIG)2Sn, which shows a perfectly ordered structure. The bent geometry of Cp*2Sn should therefore not be explained by metal polarizability but is due to van der Waals Cp*···Cp* attraction and (to some extent) to a small p-character component in the Sn lone pair.

Controlling Fringe Sensitivity of Electro-Optic Holography Systems Using Laser Diode Current Modulation

NASA Technical Reports Server (NTRS)

Bybee, Shannon J.

2001-01-01

Electro-Optic Holography (EOH) is a non-intrusive, laser-based, displacement measurement technique capable of static and dynamic displacement measurements. EOH is an optical interference technique in which fringe patterns that represent displacement contour maps are generated. At excessively large displacements the fringe density may be so great that individual fringes are not resolvable using typical EOH techniques. This thesis focuses on the development and implementation of a method for controlling the sensitivity of the EOH system. This method is known as Frequency Translated Electro-Optic Holography (FTEOH). It was determined that by modulating the current source of the laser diode at integer multiples of the object vibration, the fringe pattern is governed by higher order Bessel function of the first kind and the number of fringes that represent a given displacement can be controlled. The reduction of fringes is theoretically unlimited but physically limited by the frequency bandwidth of the signal generator, providing modulation to the laser diode. Although this research technique has been verified theoretically and experimentally in this thesis, due to the current laser diode capabilities it is a tedious and time consuming process to acquire data using the FTEOH technique.

Surface displacements and energy release rates for constant stress drop slip zones in joined elastic quarter spaces

NASA Astrophysics Data System (ADS)

Rodgers, Michael J.; Wen, Shengmin; Keer, Leon M.

2000-08-01

A three-dimensional quasi-static model of faulting in an elastic half-space with a horizontal change of material properties (i.e., joined elastic quarter spaces) is considered. A boundary element method is used with a stress drop slip zone approach so that the fault surface relative displacements as well as the free surface displacements are approximated in elements over their respective domains. Stress intensity factors and free surface displacements are calculated for a variety of cases to show the phenomenological behavior of faulting in such a medium. These calculations showed that the behavior could be distinguished from a uniform half-space. Slip in a stiffer material increases, while slip in a softer material decreases the energy release rate and the free surface displacements. Also, the 1989 Kalapana earthquake was located on the basis of a series of forward searches using this method and leveling data. The located depth is 8 km, which is the closer to the seismically inferred depth than that determined from other models. Finally, the energy release rate, which can be used as a fracture criterion for fracture at this depth, is calculated to be 11.1×106 J m-2.

Surface rupture and slip distribution of the 2016 Mw7.8 Kaikoura earthquake (New Zealand) from optical satellite image correlation using MicMac

NASA Astrophysics Data System (ADS)

Champenois, Johann; Klinger, Yann; Grandin, Raphaël; Satriano, Claudio; Baize, Stéphane; Delorme, Arthur; Scotti, Oona

2017-04-01

Remote sensing techniques, like optical satellite image correlation, are very efficient methods to localize and quantify surface displacements due to earthquakes. In this study, we use the french sub-pixel correlator MicMac (Multi Images Correspondances par Méthodes Automatiques de Corrélation). This free open-source software, developed by IGN, was recently adapted to process satellite images. This correlator uses regularization, and that provides good results especially in near-fault area with a high spatial resolution. We use co-seismic pair of ortho-images to measure the horizontal displacement field during the recent 2016 Mw7.8 Kaikoura earthquake. Optical satellite images from different satellites are processed (Sentinel-2A, Landsat8, etc.) to present a dense map of the surface ruptures and to analyze high density slip distribution along all major ruptures. We also provide a detail pattern of deformation along these main surface ruptures. Moreover, 2D displacement from optical correlation is compared to co-seismic measurements from GPS, static displacement from accelerometric records, geodetic marks and field investigations. Last but not least, we investigate the reconstruction of 3D displacement from combining InSAR, GPS and optic.

Thermoelectric properties of a Mn substituted synthetic tetrahedrite.

PubMed

Chetty, Raju; D S, Prem Kumar; Rogl, Gerda; Rogl, Peter; Bauer, Ernst; Michor, Herwig; Suwas, Satyam; Puchegger, Stephan; Giester, Gerald; Mallik, Ramesh Chandra

2015-01-21

Tetrahedrite compounds Cu(12-x)Mn(x)Sb4S13 (0 ≤x≤ 1.8) were prepared by solid state synthesis. A detailed crystal structure analysis of Cu10.6Mn1.4Sb4S13 was performed by single crystal X-ray diffraction (XRD) at 100, 200 and 300 K confirming the noncentrosymmetric structure (space group I4[combining macron]3m) of a tetrahedrite. The large atomic displacement parameter of the Cu2 atoms was described by splitting the 12e site into a partially and randomly occupied 24g site (Cu22) in addition to the regular 12e site (Cu21), suggesting a mix of dynamic and static off-plane Cu2 atom disorder. Rietveld powder XRD pattern and electron probe microanalysis revealed that all the Mn substituted samples showed a single tetrahedrite phase. The electrical resistivity increased with increasing Mn due to substitution of Mn(2+) at the Cu(1+) site. The positive Seebeck coefficient for all samples indicates that the dominant carriers are holes. Even though the thermal conductivity decreased as a function of increasing Mn, the thermoelectric figure of merit ZT decreased, because the decrease of the power factor is stronger than the decrease of the thermal conductivity. The maximum ZT = 0.76 at 623 K is obtained for Cu12Sb4S13. The coefficient of thermal expansion 13.5 ± 0.1 × 10(-6) K(-1) is obtained in the temperature range from 460 K to 670 K for Cu10.2Mn1.8Sb4S13. The Debye temperature, Θ(D) = 244 K for Cu10.2Mn1.8Sb4S13, was estimated from an evaluation of the elastic properties. The effective paramagnetic moment 7.45 μB/f.u. for Cu10.2Mn1.8Sb4S13 is fairly consistent with a high spin 3d(5) ground state of Mn.

Geometry-dependent atomic multipole models for the water molecule.

PubMed

Loboda, O; Millot, C

2017-10-28

Models of atomic electric multipoles for the water molecule have been optimized in order to reproduce the electric potential around the molecule computed by ab initio calculations at the coupled cluster level of theory with up to noniterative triple excitations in an augmented triple-zeta quality basis set. Different models of increasing complexity, from atomic charges up to models containing atomic charges, dipoles, and quadrupoles, have been obtained. The geometry dependence of these atomic multipole models has been investigated by changing bond lengths and HOH angle to generate 125 molecular structures (reduced to 75 symmetry-unique ones). For several models, the atomic multipole components have been fitted as a function of the geometry by a Taylor series of fourth order in monomer coordinate displacements.

Geometry-dependent atomic multipole models for the water molecule

NASA Astrophysics Data System (ADS)

Loboda, O.; Millot, C.

2017-10-01

Models of atomic electric multipoles for the water molecule have been optimized in order to reproduce the electric potential around the molecule computed by ab initio calculations at the coupled cluster level of theory with up to noniterative triple excitations in an augmented triple-zeta quality basis set. Different models of increasing complexity, from atomic charges up to models containing atomic charges, dipoles, and quadrupoles, have been obtained. The geometry dependence of these atomic multipole models has been investigated by changing bond lengths and HOH angle to generate 125 molecular structures (reduced to 75 symmetry-unique ones). For several models, the atomic multipole components have been fitted as a function of the geometry by a Taylor series of fourth order in monomer coordinate displacements.

Non-Gaussian diffusion in static disordered media

NASA Astrophysics Data System (ADS)

Luo, Liang; Yi, Ming

2018-04-01

Non-Gaussian diffusion is commonly considered as a result of fluctuating diffusivity, which is correlated in time or in space or both. In this work, we investigate the non-Gaussian diffusion in static disordered media via a quenched trap model, where the diffusivity is spatially correlated. Several unique effects due to quenched disorder are reported. We analytically estimate the diffusion coefficient Ddis and its fluctuation over samples of finite size. We show a mechanism of population splitting in the non-Gaussian diffusion. It results in a sharp peak in the distribution of displacement P (x ,t ) around x =0 , that has frequently been observed in experiments. We examine the fidelity of the coarse-grained diffusion map, which is reconstructed from particle trajectories. Finally, we propose a procedure to estimate the correlation length in static disordered environments, where the information stored in the sample-to-sample fluctuation has been utilized.

Time-dependent friction and the mechanics of stick-slip

USGS Publications Warehouse

Dieterich, J.H.

1978-01-01

Time-dependent increase of static friction is characteristic of rock friction undera variety of experimental circumstances. Data presented here show an analogous velocity-dependent effect. A theor of friction is proposed that establishes a common basis for static and sliding friction. Creep at points of contact causes increases in friction that are proportional to the logarithm of the time that the population of points of contact exist. For static friction that time is the time of stationary contact. For sliding friction the time of contact is determined by the critical displacement required to change the population of contacts and the slip velocity. An analysis of a one-dimensional spring and slider system shows that experimental observations establishing the transition from stable sliding to stick-slip to be a function of normal stress, stiffness and surface finish are a consequence of time-dependent friction. ?? 1978 Birkha??user Verlag.

Critical evaluation of dipolar, acid-base and charge interactions I. Electron displacement within and between molecules, liquids and semiconductors.

PubMed

Rosenholm, Jarl B

2017-09-01

Specific dipolar, acid-base and charge interactions involve electron displacements. For atoms, single bonds and molecules electron displacement is characterized by electronic potential, absolute hardness, electronegativity and electron gap. In addition, dissociation, bonding, atomization, formation, ionization, affinity and lattice enthalpies are required to quantify the electron displacement in solids. Semiconductors are characterized by valence and conduction band energies, electron gaps and average Fermi energies which in turn determine Galvani potentials of the bulk, space charge layer and surface states. Electron displacement due to interaction between (probe) molecules, liquids and solids are characterized by parameters such as Hamaker constant, solubility parameter, exchange energy density, surface tension, work of adhesion and immersion. They are determined from permittivity, refractive index, enthalpy of vaporization, molar volume, surface pressure and contact angle. Moreover, acidic and basic probes may form adducts which are adsorbed on target substrates in order to establish an indirect measure of polarity, acidity, basicity or hydrogen bonding. Acidic acceptor numbers (AN), basic donor numbers (DN), acidic and basic "electrostatic" (E) and "covalent" (C) parameters determined by enthalpy of adduct formation are considered as general acid-base scales. However, the formal grounds for assignments as dispersive, Lifshitz-van der Waals, polar, acid, base and hydrogen bond interactions are inconsistent. Although correlations are found no of the parameters are mutually fully compatible and moreover the enthalpies of acid-base interaction do not correspond to free energies. In this review the foundations of different acid-base parameters relating to electron displacement within and between (probe) molecules, liquids and (semiconducting) solids are thoroughly investigated and their mutual relationships are evaluated. Copyright © 2017 Elsevier B.V. All rights reserved.

INVESTIGATION INTO THE MECHANISMS OF TISSUE ATOMIZATION BY HIGH INTENSITY FOCUSED ULTRASOUND

PubMed Central

Simon, Julianna C.; Sapozhnikov, Oleg A.; Wang, Yak-Nam; Khokhlova, Vera A.; Crum, Lawrence A.; Bailey, Michael R.

2014-01-01

Ultrasonic atomization, or the emission of a fog of droplets, was recently proposed to explain tissue fractionation in boiling histotripsy. However, even though liquid atomization has been studied extensively, the mechanisms of tissue atomization remain unclear. In this paper, high-speed photography and overpressure were used to evaluate the role of bubbles in tissue atomization. As the static pressure increased, the degree of fractionation decreased, and the ex vivo tissue became thermally denatured. The effect of surface wetness on atomization was also evaluated in vivo and in tissue-mimicking gels where surface wetness was found to enhance atomization by forming surface instabilities that augment cavitation. In addition, experimental results indicated that wetting collagenous tissues, such as the liver capsule, allowed atomization to breach such barriers. These results highlight the importance of bubbles and surface instabilities in atomization and could be used to enhance boiling histotripsy for transition to clinical use. PMID:25662182

Cation displacements and the structures of the superconducting pyrochlore osmates AOs2O6 ( A=K , Rb, and Cs)

NASA Astrophysics Data System (ADS)

Galati, Rosa; Simon, Charles; Henry, Paul F.; Weller, Mark T.

2008-03-01

Variable temperature, 2K

Improved approximations for control augmented structural synthesis

NASA Technical Reports Server (NTRS)

Thomas, H. L.; Schmit, L. A.

1990-01-01

A methodology for control-augmented structural synthesis is presented for structure-control systems which can be modeled as an assemblage of beam, truss, and nonstructural mass elements augmented by a noncollocated direct output feedback control system. Truss areas, beam cross sectional dimensions, nonstructural masses and rotary inertias, and controller position and velocity gains are treated simultaneously as design variables. The structural mass and a control-system performance index can be minimized simultaneously, with design constraints placed on static stresses and displacements, dynamic harmonic displacements and forces, structural frequencies, and closed-loop eigenvalues and damping ratios. Intermediate design-variable and response-quantity concepts are used to generate new approximations for displacements and actuator forces under harmonic dynamic loads and for system complex eigenvalues. This improves the overall efficiency of the procedure by reducing the number of complete analyses required for convergence. Numerical results which illustrate the effectiveness of the method are given.

Generalized constitutive equations for piezo-actuated compliant mechanism

NASA Astrophysics Data System (ADS)

Cao, Junyi; Ling, Mingxiang; Inman, Daniel J.; Lin, Jin

2016-09-01

This paper formulates analytical models to describe the static displacement and force interactions between generic serial-parallel compliant mechanisms and their loads by employing the matrix method. In keeping with the familiar piezoelectric constitutive equations, the generalized constitutive equations of compliant mechanism represent the input-output displacement and force relations in the form of a generalized Hooke’s law and as analytical functions of physical parameters. Also significantly, a new model of output displacement for compliant mechanism interacting with piezo-stacks and elastic loads is deduced based on the generalized constitutive equations. Some original findings differing from the well-known constitutive performance of piezo-stacks are also given. The feasibility of the proposed models is confirmed by finite element analysis and by experiments under various elastic loads. The analytical models can be an insightful tool for predicting and optimizing the performance of a wide class of compliant mechanisms that simultaneously consider the influence of loads and piezo-stacks.

Dynamic response of a cracked atomic force microscope cantilever used for nanomachining

PubMed Central

2012-01-01

The vibration behavior of an atomic force microscope [AFM] cantilever with a crack during the nanomachining process is studied. The cantilever is divided into two segments by the crack, and a rotational spring is used to simulate the crack. The two individual governing equations of transverse vibration for the cracked cantilever can be expressed. However, the corresponding boundary conditions are coupled because of the crack interaction. Analytical expressions for the vibration displacement and natural frequency of the cracked cantilever are obtained. In addition, the effects of crack flexibility, crack location, and tip length on the vibration displacement of the cantilever are analyzed. Results show that the crack occurs in the AFM cantilever that can significantly affect its vibration response. PACS: 07.79.Lh; 62.20.mt; 62.25.Jk PMID:22335820

Study of the Structural Stability in Intermetallics Using Displacive Transformation Paths

NASA Astrophysics Data System (ADS)

Sob, M.; Wang, L. G.; Vitek, V.

1997-03-01

Relative structural stability of TiAl, FeAl, NiAl and NiTi is studied by investigating displacive phase transformation paths. These include the well known tetragonal (Bain's) and trigonal deformation paths which correspond to large homogeneous straining, and also more complex paths that include the shuffling of atomic planes. The results of full-potential APW total energy calculations show that all higher-energy cubic structures studied are locally unstable with respect to some deformation modes. There may or may not be symmetry-dictated energy extrema corresponding to cubic lattices depending on the atomic ordering. However, other energy extrema that are not imposed by symmetry requirements occur along the transformation paths. Configurations corresponding to energy minima may represent metastable structures that can play an important role in interfaces and other extended defects.

Comprehensive modelling and simulation of cylindrical nanoparticles manipulation by using a virtual reality environment.

PubMed

Korayem, Moharam Habibnejad; Hoshiar, Ali Kafash; Ghofrani, Maedeh

2017-08-01

With the expansion of nanotechnology, robots based on atomic force microscope (AFM) have been widely used as effective tools for displacing nanoparticles and constructing nanostructures. One of the most limiting factors in AFM-based manipulation procedures is the inability of simultaneously observing the controlled pushing and displacing of nanoparticles while performing the operation. To deal with this limitation, a virtual reality environment has been used in this paper for observing the manipulation operation. In the simulations performed in this paper, first, the images acquired by the atomic force microscope have been processed and the positions and dimensions of nanoparticles have been determined. Then, by dynamically modelling the transfer of nanoparticles and simulating the critical force-time diagrams, a controlled displacement of nanoparticles has been accomplished. The simulations have been further developed for the use of rectangular, V-shape and dagger-shape cantilevers. The established virtual reality environment has made it possible to simulate the manipulation of biological particles in a liquid medium. Copyright © 2017 Elsevier Inc. All rights reserved.

On-chip quantum tomography of mechanical nanoscale oscillators with guided Rydberg atoms

NASA Astrophysics Data System (ADS)

Sanz-Mora, A.; Wüster, S.; Rost, J.-M.

2017-07-01

Nanomechanical oscillators as well as Rydberg-atomic waveguides hosted on microfabricated chip surfaces hold promise to become pillars of future quantum technologies. In a hybrid platform with both, we show that beams of Rydberg atoms in waveguides can quantum coherently interrogate and manipulate nanomechanical elements, allowing full quantum state tomography. Central to the tomography are quantum nondemolition measurements using the Rydberg atoms as probes. Quantum coherent displacement of the oscillator is also made possible by driving the atoms with external fields while they interact with the oscillator. We numerically demonstrate the feasibility of this fully integrated on-chip control and read-out suite for quantum nanomechanics, taking into account noise and error sources.

A high-temperature neutron diffraction study of Nb 2AlC and TiNbAlC

DOE PAGES

Bentzel, Grady W.; Lane, Nina J.; Vogel, Sven C.; ...

2014-12-16

In this paper, we report on the crystal structures of Nb 2AlC and TiNbAlC actual composition (Ti 0.45,Nb 0.55) 2AlC compounds determined from Rietveld analysis of neutron diffraction patterns in the 300-1173 K temperature range. The average linear thermal expansion coefficients of a Nb 2AlC sample in the a and c directions are, respectively, 7.9(5)x10 -6 K -1 and 7.7(5)x10 -6 K -1 on one neutron diffractometer and 7.3(3)x10 -6 K -1 and 7.0(2)x10 -6 K -1 on a second diffractometer. The respective values for the (Ti 0.45,Nb 0.55) 2AlC composition - only tested on one diffractometer - are 8.5(3)x10more » -6 K -1 and 7.5(5)x10 -6 K -1. These values are relatively low compared to other MAX phases. Like other MAX phases, however, the atomic displacement parameters show that the Al atoms vibrate with higher amplitudes than the Ti and C atoms, and 1 more along the basal planes than normal to them. In addition, when the predictions of the atomic displacement parameters obtained from density functional theory are compared to the experimental results, good quantitative agreement is found for the Al atoms. In case of the Nb and C atoms, the agreement was more qualitative.« less

Structure, phonons and related properties in zinc-IV-nitride (IV = silicon, germanium, tin), scandium nitride, and rare-earth nitrides

NASA Astrophysics Data System (ADS)

Paudel, Tula R.

This thesis presents a study of the phonons and related properties in two sets of nitride compounds, whose properties are until now relatively poorly known. The Zn-IV-N2 group of compounds with the group IV elements Si, Ge and Sn, form a series analogous to the well known III-N nitride series with group III element Al, Ga, In. Structurally, they can be derived by doubling the period of III-V compounds in the plane in two directions and replacing the group-III elements with Zn and a group-IV element in a particular ordered pattern. Even though they are similar to the well-known III-V nitride compounds, the study of the properties of these materials is in its early stages. The phonons in these materials and their relation to the phonons in the corresponding group-III nitrides are of fundamental interest. They are also of practical interest because the phonon related spectra such as infrared absorption and Raman spectroscopy are sensitive to the structural quality of the material and can thus be used to quantify the degree of crystalline perfection of real samples. First-principles calculations of the phonons and related ground state properties of these compounds were carried out using Density Functional Perturbation Theory (DFPT) with the Local Density Approximation (LDA) for exchange and correlation and using a pseudopotential plane wave implementation which was developed by several authors over the last decades. The main focus of our study is on the phonons at the center of the Brillouin zone because the latter are most directly related to commonly used spectroscopies to probe the vibrations in a solid: infrared reflectivity and Raman spectroscopy. For a semiconducting or insulating compound, a splitting occurs between transverse and longitudinal phonons at the Gamma-point because of the long-range nature of electrostatic forces. The concepts required to handle this problem are reviewed. Our discussion emphasizes how the various quantities required are related to various types of derivatives of the total energy versus perturbation parameters. Essentially, the long-range forces have to be treated explicitly in terms of the Born effective charge tensors which are the mixed second derivatives of the total energy of the system with respect to static electric fields and atomic displacements whereas the short-range part of the force constants is obtained from second derivatives versus atomic displacements. The second derivatives versus electrostatic field give the high-frequency dielectric function. The longitudinal and transverse response of the solid is then obtained from the calculation of the frequency dependent dielectric response function in the frequency range of the phonons. We thus present as results: first the equilibrium structure, i.e. the optimized lattice constants and internal coordinates which form the starting point for any study of the vibrational modes; second the vibrational modes at Gamma including their LO-TO splittings, third, the Born effective charges and the dielectric functions which are directly related to the experimental infrared spectra. In order to obtain the Raman intensities, one needs the derivatives of the electric susceptibility versus atomic displacements. (Abstract shortened by UMI.)

The active site of hen egg-white lysozyme: flexibility and chemical bonding

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

Held, Jeanette, E-mail: jeanette.netzel@uni-bayreuth.de; Smaalen, Sander van

Chemical bonding at the active site of lysozyme is analyzed on the basis of a multipole model employing transferable multipole parameters from a database. Large B factors at low temperatures reflect frozen-in disorder, but therefore prevent a meaningful free refinement of multipole parameters. Chemical bonding at the active site of hen egg-white lysozyme (HEWL) is analyzed on the basis of Bader’s quantum theory of atoms in molecules [QTAIM; Bader (1994 ▶), Atoms in Molecules: A Quantum Theory. Oxford University Press] applied to electron-density maps derived from a multipole model. The observation is made that the atomic displacement parameters (ADPs) ofmore » HEWL at a temperature of 100 K are larger than ADPs in crystals of small biological molecules at 298 K. This feature shows that the ADPs in the cold crystals of HEWL reflect frozen-in disorder rather than thermal vibrations of the atoms. Directly generalizing the results of multipole studies on small-molecule crystals, the important consequence for electron-density analysis of protein crystals is that multipole parameters cannot be independently varied in a meaningful way in structure refinements. Instead, a multipole model for HEWL has been developed by refinement of atomic coordinates and ADPs against the X-ray diffraction data of Wang and coworkers [Wang et al. (2007), Acta Cryst. D63, 1254–1268], while multipole parameters were fixed to the values for transferable multipole parameters from the ELMAM2 database [Domagala et al. (2012), Acta Cryst. A68, 337–351] . Static and dynamic electron densities based on this multipole model are presented. Analysis of their topological properties according to the QTAIM shows that the covalent bonds possess similar properties to the covalent bonds of small molecules. Hydrogen bonds of intermediate strength are identified for the Glu35 and Asp52 residues, which are considered to be essential parts of the active site of HEWL. Furthermore, a series of weak C—H⋯O hydrogen bonds are identified by means of the existence of bond critical points (BCPs) in the multipole electron density. It is proposed that these weak interactions might be important for defining the tertiary structure and activity of HEWL. The deprotonated state of Glu35 prevents a distinction between the Phillips and Koshland mechanisms.« less

Ab initio molecular dynamics simulations of AlN responding to low energy particle radiation

DOE PAGES

Xi, Jianqi; Liu, Bin; Zhang, Yanwen; ...

2018-01-30

Ab initio molecular dynamics simulations of low energy recoil events in wurtzite AlN have been performed to determine threshold displacement energies, defect production and evolution mechanisms, role of partial charge transfer during the process, and the influence of irradiation-induced defects on the properties of AlN. Here, the results show that the threshold displacement energies, E d, along the direction parallel to the basal planes are smaller than those perpendicular to the basal planes. The minimum E d values are determined to be 19 eV and 55 eV for N and Al atom, respectively, which occur along the [more » $$\\overline{11}20$$] direction. In general, the threshold displacement energies for N are smaller than those for Al atom, indicating the N defects would be dominant under irradiation. The defect production mechanisms have been analyzed. It is found that charge transfer and redistribution for both the primary knock-on atom and the subsequent recoil atoms play a significant role in defect production and evolution. Similar to the trend in oxide materials, there is a nearly linear relationship between E d and the total amount of charge transfer at the potential energy peak in AlN, which provides guidance on the development of charge-transfer interatomic potentials for classic molecular dynamics simulations. Finally, the response behavior of AlN to low energy irradiation is qualitatively investigated. The existence of irradiation-induced defects significantly modifies the electronic structure, and thus affects the magnetic, electronic and optical properties of AlN. In conclusion, these findings further enrich the understanding of defects in the wide bandgap semiconductor of AlN.« less

Ab initio molecular dynamics simulations of AlN responding to low energy particle radiation

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

Xi, Jianqi; Liu, Bin; Zhang, Yanwen

Ab initio molecular dynamics simulations of low energy recoil events in wurtzite AlN have been performed to determine threshold displacement energies, defect production and evolution mechanisms, role of partial charge transfer during the process, and the influence of irradiation-induced defects on the properties of AlN. Here, the results show that the threshold displacement energies, E d, along the direction parallel to the basal planes are smaller than those perpendicular to the basal planes. The minimum E d values are determined to be 19 eV and 55 eV for N and Al atom, respectively, which occur along the [more » $$\\overline{11}20$$] direction. In general, the threshold displacement energies for N are smaller than those for Al atom, indicating the N defects would be dominant under irradiation. The defect production mechanisms have been analyzed. It is found that charge transfer and redistribution for both the primary knock-on atom and the subsequent recoil atoms play a significant role in defect production and evolution. Similar to the trend in oxide materials, there is a nearly linear relationship between E d and the total amount of charge transfer at the potential energy peak in AlN, which provides guidance on the development of charge-transfer interatomic potentials for classic molecular dynamics simulations. Finally, the response behavior of AlN to low energy irradiation is qualitatively investigated. The existence of irradiation-induced defects significantly modifies the electronic structure, and thus affects the magnetic, electronic and optical properties of AlN. In conclusion, these findings further enrich the understanding of defects in the wide bandgap semiconductor of AlN.« less

Oxygen-storage behavior and local structure in Ti-substituted YMnO3

NASA Astrophysics Data System (ADS)

Levin, I.; Krayzman, V.; Vanderah, T. A.; Tomczyk, M.; Wu, H.; Tucker, M. G.; Playford, H. Y.; Woicik, J. C.; Dennis, C. L.; Vilarinho, P. M.

2017-02-01

Hexagonal manganates RMnO3 (R=Y, Ho, Dy) have been recently shown to exhibit oxygen-storage capacities promising for three-way catalysts, air-separation, and related technologies. Here, we demonstrate that Ti substitution for Mn can be used to chemically tune the oxygen-breathing properties of these materials towards practical applications. Specifically, Y(Mn1-xTix)O3 solid solutions exhibit facile oxygen absorption/desorption via reversible Ti3+↔Ti4+ and Mn3+↔Mn4+ reactions already in ambient air at ≈400 °C and ≈250 °C, respectively. On cooling, the oxidation of both cations is accompanied by oxygen uptake yielding a formula YMn3+1-x-yMn4+yTi4+xO3+δ. The presence of Ti promotes the oxidation of Mn3+ to Mn4+, which is almost negligible for YMnO3 in air, thereby increasing the uptake of oxygen beyond that required for a given Ti4+ concentration. The reversibility of the redox reactions is limited by sluggish kinetics; however, the oxidation process continues, if slowly, even at room temperature. The extra oxygen atoms are accommodated by the large interstices within a triangular lattice formed by the [MnO5] trigonal bipyramids. According to bond distances from Rietveld refinements using the neutron diffraction data, the YMnO3 structure features under-bonded Mn and even more severely under-bonded oxygen atoms that form the trigonal bases of the [MnO5] bipyramids. The tensile bond strain around the 5-fold coordinated Mn site and the strong preference of Ti4+(and Mn4+) for higher coordination numbers likely provide driving forces for the oxidation reaction. Reverse Monte Carlo refinements of the local atomic displacements using neutron total scattering revealed how the excess oxygen atoms are accommodated in the structure by correlated local displacements of the host atoms. Large displacements of the under-bonded host oxygen atoms play a key part in this lattice-relaxation process, facilitating reversible exchange of significant amounts of oxygen with atmosphere.

Oxygen-storage behavior and local structure in Ti-substituted YMnO 3

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

Levin, I.; Krayzman, V.; Vanderah, T. A.

Hexagonal manganates RMnO3 (R=Y, Ho, Dy) have been recently shown to exhibit oxygen-storage capacities promising for three-way catalysts, air-separation, and related technologies. Here, we demonstrate that Ti substitution for Mn can be used to chemically tune the oxygen-breathing properties of these materials towards practical applications. Specifically, Y(Mn1-xTix)O3 solid solutions exhibit facile oxygen absorption/desorption via reversible Ti3+↔Ti4+ and Mn3+↔Mn4+ reactions already in ambient air at ≈400 °C and ≈250 °C, respectively. On cooling, the oxidation of both cations is accompanied by oxygen uptake yielding a formula YMn3+1-x-yMn4+yTi4+xO3+δ. The presence of Ti promotes the oxidation of Mn3+ to Mn4+, which is almostmore » negligible for YMnO3 in air, thereby increasing the uptake of oxygen beyond that required for a given Ti4+ concentration. The reversibility of the redox reactions is limited by sluggish kinetics; however, the oxidation process continues, if slowly, even at room temperature. The extra oxygen atoms are accommodated by the large interstices within a triangular lattice formed by the [MnO5] trigonal bipyramids. According to bond distances from Rietveld refinements using the neutron diffraction data, the YMnO3 structure features under-bonded Mn and even more severely under-bonded oxygen atoms that form the trigonal bases of the [MnO5] bipyramids. The tensile bond strain around the 5-fold coordinated Mn site and the strong preference of Ti4+(and Mn4+) for higher coordination numbers likely provide driving forces for the oxidation reaction. Reverse Monte Carlo refinements of the local atomic displacements using neutron total scattering revealed how the excess oxygen atoms are accommodated in the structure by correlated local displacements of the host atoms. Large displacements of the under-bonded host oxygen atoms play a key part in this lattice-relaxation process, facilitating reversible exchange of significant amounts of oxygen with atmosphere.« less

A refined analysis of composite laminates. [theory of statics and dynamics

NASA Technical Reports Server (NTRS)

Srinivas, S.

1973-01-01

The purpose of this paper is to develop a sufficiently accurate analysis, which is much simpler than exact three-dimensional analysis, for statics and dynamics of composite laminates. The governing differential equations and boundary conditions are derived by following a variational approach. The displacements are assumed piecewise linear across the thickness and the effects of transverse shear deformations and rotary inertia are included. A procedure for obtaining the general solution of the above governing differential equations in the form of hyperbolic-trigonometric series is given. The accuracy of the present theory is assessed by obtaining results for free vibrations and flexure of simply supported rectangular laminates and comparing them with results from exact three-dimensional analysis.

Efficient implementations of a pseudodynamical stochastic filtering strategy for static elastography.

PubMed

Banerjee, Biswanath; Roy, Debasish; Vasu, Ram Mohan

2009-08-01

A computationally efficient pseudodynamical filtering setup is established for elasticity imaging (i.e., reconstruction of shear modulus distribution) in soft-tissue organs given statically recorded and partially measured displacement data. Unlike a regularized quasi-Newton method (QNM) that needs inversion of ill-conditioned matrices, the authors explore pseudodynamic extended and ensemble Kalman filters (PD-EKF and PD-EnKF) that use a parsimonious representation of states and bypass explicit regularization by recursion over pseudotime. Numerical experiments with QNM and the two filters suggest that the PD-EnKF is the most robust performer as it exhibits no sensitivity to process noise covariance and yields good reconstruction even with small ensemble sizes.

Static and dynamic structural-sensitivity derivative calculations in the finite-element-based Engineering Analysis Language (EAL) system

NASA Technical Reports Server (NTRS)

Camarda, C. J.; Adelman, H. M.

1984-01-01

The implementation of static and dynamic structural-sensitivity derivative calculations in a general purpose, finite-element computer program denoted the Engineering Analysis Language (EAL) System is described. Derivatives are calculated with respect to structural parameters, specifically, member sectional properties including thicknesses, cross-sectional areas, and moments of inertia. Derivatives are obtained for displacements, stresses, vibration frequencies and mode shapes, and buckling loads and mode shapes. Three methods for calculating derivatives are implemented (analytical, semianalytical, and finite differences), and comparisons of computer time and accuracy are made. Results are presented for four examples: a swept wing, a box beam, a stiffened cylinder with a cutout, and a space radiometer-antenna truss.

Combining Acceleration and Displacement Dependent Modal Frequency Responses Using an MSC/NASTRAN DMAP Alter

NASA Technical Reports Server (NTRS)

Barnett, Alan R.; Widrick, Timothy W.; Ludwiczak, Damian R.

1996-01-01

Solving for dynamic responses of free-free launch vehicle/spacecraft systems acted upon by buffeting winds is commonly performed throughout the aerospace industry. Due to the unpredictable nature of this wind loading event, these problems are typically solved using frequency response random analysis techniques. To generate dynamic responses for spacecraft with statically-indeterminate interfaces, spacecraft contractors prefer to develop models which have response transformation matrices developed for mode acceleration data recovery. This method transforms spacecraft boundary accelerations and displacements into internal responses. Unfortunately, standard MSC/NASTRAN modal frequency response solution sequences cannot be used to combine acceleration- and displacement-dependent responses required for spacecraft mode acceleration data recovery. External user-written computer codes can be used with MSC/NASTRAN output to perform such combinations, but these methods can be labor and computer resource intensive. Taking advantage of the analytical and computer resource efficiencies inherent within MS C/NASTRAN, a DMAP Alter has been developed to combine acceleration- and displacement-dependent modal frequency responses for performing spacecraft mode acceleration data recovery. The Alter has been used successfully to efficiently solve a common aerospace buffeting wind analysis.

Uncertainty characterization of particle location from refocused plenoptic images.

PubMed

Hall, Elise M; Guildenbecher, Daniel R; Thurow, Brian S

2017-09-04

Plenoptic imaging is a 3D imaging technique that has been applied for quantification of 3D particle locations and sizes. This work experimentally evaluates the accuracy and precision of such measurements by investigating a static particle field translated to known displacements. Measured 3D displacement values are determined from sharpness metrics applied to volumetric representations of the particle field created using refocused plenoptic images, corrected using a recently developed calibration technique. Comparison of measured and known displacements for many thousands of particles allows for evaluation of measurement uncertainty. Mean displacement error, as a measure of accuracy, is shown to agree with predicted spatial resolution over the entire measurement domain, indicating robustness of the calibration methods. On the other hand, variation in the error, as a measure of precision, fluctuates as a function of particle depth in the optical direction. Error shows the smallest variation within the predicted depth of field of the plenoptic camera, with a gradual increase outside this range. The quantitative uncertainty values provided here can guide future measurement optimization and will serve as useful metrics for design of improved processing algorithms.

[Design of Minimal Invasive Screw on Posterior Pelvis Ring and Pelvic Finite Element Analysis].

PubMed

Tang, Fan; Min, Li; Wang, Yan-Ling; Qu, Bo; Zhou, Yong; Luo, Yi; Zhang, Wen-Li; Shi, Rui; Duan, Hong; Tu, Chong-Qi

2017-09-01

To design minimal invasive screw on posterior pelvic ring and perform threedimensional finite element analysis based on a pelvis finite element model. We measured the pelvic anatomical data of 20 healthy volunteers and identified potential designs for minimal invasive screw on posterior pelvic ring. A finite element model of pelvis was then established. Threedimensional finite element analyses were performed under static and dynamic mechanical loading,respectively. Three screw tracks on ilium (A,B and C) were identified based on a threedimensional reconstruction of pelvis. Nail track B and C had greater length and width,but shorter distance between nailing and soft tissue compared with nail track A. Static loading under an external rotation load of 500 N generated a maximum Mises Von stress of 582.05 Pa and sacral iliac complex of 107.38 Pa. The greatest strain was located at the articular cartilage on the side of the nail,followed by lateral sacral joint cartilage and symphysis pubis. The largest displacement was located at the ilium on the side of the nail,with a gradient decrease to the opposite side. The largest displacement of the anterior superior iliac spine was 0.35 cm on the side of the nail. The dynamic loading identified displacement of the anterior superior iliac spine with 1.5 mm in Z axis,1.8 mm in X axis and -0.2 mm in Y axis; and displacement of the pubic bone with 0.8 mm in Z axis,1.0 mm in X axis and 0.03 mm in Y axis. The maximum displacement appeared along the impact direction: Y axis. Relatively large equivalent stress was found in pubis and ischium,anterior superior iliac spine,sacrum,acetabular that are prone to fracture. With increased impact force,the stress of pelvis increased over time. The maximum impact force,stress and displacement of the pelvis occurred at 10 ms when peak force was reached. Under the impact of 4 000 N and 5 000 N,the bone was subject to a stress level of over 200 MPa,exceeding its average yield strength,which suggests a possibility of pelvic fracture. Taking B/C as a main screw track and A as an auxiliary screw track is a reasonable choice. The pelvic finite element model lays a foundation for further studies into sacral fracture and design of screw tracks.

A static predictor of seismic demand on frames based on a post-elastic deflected shape

USGS Publications Warehouse

Mori, Y.; Yamanaka, T.; Luco, N.; Cornell, C.A.

2006-01-01

Predictors of seismic structural demands (such as inter-storey drift angles) that are less time-consuming than nonlinear dynamic analysis have proven useful for structural performance assessment and for design. Luco and Cornell previously proposed a simple predictor that extends the idea of modal superposition (of the first two modes) with the square-root-of-sum-of-squares (SRSS) rule by taking a first-mode inelastic spectral displacement into account. This predictor achieved a significant improvement over simply using the response of an elastic oscillator; however, it cannot capture well large displacements caused by local yielding. A possible improvement of Luco's predictor is discussed in this paper, where it is proposed to consider three enhancements: (i) a post-elastic first-mode shape approximated by the deflected shape from a nonlinear static pushover analysis (NSPA) at the step corresponding to the maximum drift of an equivalent inelastic single-degree-of-freedom (SDOF) system, (ii) a trilinear backbone curve for the SDOF system, and (iii) the elastic third-mode response for long-period buildings. Numerical examples demonstrate that the proposed predictor is less biased and results in less dispersion than Luco's original predictor. Copyright ?? 2006 John Wiley & Sons, Ltd.

Experimental Estimating Deflection of a Simple Beam Bridge Model Using Grating Eddy Current Sensors

PubMed Central

Lü, Chunfeng; Liu, Weiwen; Zhang, Yongjie; Zhao, Hui

2012-01-01

A novel three-point method using a grating eddy current absolute position sensor (GECS) for bridge deflection estimation is proposed in this paper. Real spatial positions of the measuring points along the span axis are directly used as relative reference points of each other rather than using any other auxiliary static reference points for measuring devices in a conventional method. Every three adjacent measuring points are defined as a measuring unit and a straight connecting bar with a GECS fixed on the center section of it links the two endpoints. In each measuring unit, the displacement of the mid-measuring point relative to the connecting bar measured by the GECS is defined as the relative deflection. Absolute deflections of each measuring point can be calculated from the relative deflections of all the measuring units directly without any correcting approaches. Principles of the three-point method and displacement measurement of the GECS are introduced in detail. Both static and dynamic experiments have been carried out on a simple beam bridge model, which demonstrate that the three-point deflection estimation method using the GECS is effective and offers a reliable way for bridge deflection estimation, especially for long-term monitoring. PMID:23112583

Postural Stability Assessment of University Marching Musicians Using Force Platform Measures.

PubMed

Magnotti, Trevor D; McElhiney, Danielle; Russell, Jeffrey A

2016-09-01

Lower extremity injury is prevalent in marching musicians, and poor postural stability is a possible risk factor for this. The external load of an instrument may predispose these performers to injury by decreasing postural stability. The purpose of this study was to determine the relationship between instrument load and static and dynamic postural stability in this population. Fourteen university marching musicians were recruited and completed a balance assessment protocol on a force platform with and without their instrument. Mean center of pressure (CoP) displacement was then calculated for each exercise in the anterior/posterior and medial/lateral planes. Mean anterior/posterior CoP displacement significantly increased in the instrument condition for the static surface, eyes closed, 2 feet condition (p≤0.005; d=0.89). No significant differences were found in the medial/lateral plane between non-instrument and instrument conditions. Significant differences were not found between test stance conditions independent of group. Comparisons between the non-instrument-loaded and instrument-loaded conditions revealed possible significance of instrument load on postural stability in the anterior/posterior plane. Mean differences indicated that an unstable surface created a greater destabilizing effect on postural stability than instrument load.

Cognitive predictors of balance in Parkinson's disease.

PubMed

Fernandes, Ângela; Mendes, Andreia; Rocha, Nuno; Tavares, João Manuel R S

2016-06-01

Postural instability is one of the most incapacitating symptoms of Parkinson's disease (PD) and appears to be related to cognitive deficits. This study aims to determine the cognitive factors that can predict deficits in static and dynamic balance in individuals with PD. A sociodemographic questionnaire characterized 52 individuals with PD for this work. The Trail Making Test, Rule Shift Cards Test, and Digit Span Test assessed the executive functions. The static balance was assessed using a plantar pressure platform, and dynamic balance was based on the Timed Up and Go Test. The results were statistically analysed using SPSS Statistics software through linear regression analysis. The results show that a statistically significant model based on cognitive outcomes was able to explain the variance of motor variables. Also, the explanatory value of the model tended to increase with the addition of individual and clinical variables, although the resulting model was not statistically significant The model explained 25-29% of the variability of the Timed Up and Go Test, while for the anteroposterior displacement it was 23-34%, and for the mediolateral displacement it was 24-39%. From the findings, we conclude that the cognitive performance, especially the executive functions, is a predictor of balance deficit in individuals with PD.

Experimental estimating deflection of a simple beam bridge model using grating eddy current sensors.

PubMed

Lü, Chunfeng; Liu, Weiwen; Zhang, Yongjie; Zhao, Hui

2012-01-01

A novel three-point method using a grating eddy current absolute position sensor (GECS) for bridge deflection estimation is proposed in this paper. Real spatial positions of the measuring points along the span axis are directly used as relative reference points of each other rather than using any other auxiliary static reference points for measuring devices in a conventional method. Every three adjacent measuring points are defined as a measuring unit and a straight connecting bar with a GECS fixed on the center section of it links the two endpoints. In each measuring unit, the displacement of the mid-measuring point relative to the connecting bar measured by the GECS is defined as the relative deflection. Absolute deflections of each measuring point can be calculated from the relative deflections of all the measuring units directly without any correcting approaches. Principles of the three-point method and displacement measurement of the GECS are introduced in detail. Both static and dynamic experiments have been carried out on a simple beam bridge model, which demonstrate that the three-point deflection estimation method using the GECS is effective and offers a reliable way for bridge deflection estimation, especially for long-term monitoring.

Improved operation of magnetic bearings for flywheel energy storage system

NASA Technical Reports Server (NTRS)

Zmood, R. B.; Pang, D.; Anand, D. K.; Kirk, J. A.

1990-01-01

Analysis and operation of prototype 500-Wh flywheel at low speeds have shown that many factors affect the correct functioning of the magnetic bearings. An examination is made of a number of these, including magnetic bearing control system nonlinearities and displacement transducer positioning, and their effects upon the successful operation of the suspension system. It is observed that the bearing control system is extremely sensitive to actuator parameters such as coil inductance. As a consequence of the analysis of bearing relaxation oscillations, the bearing actuator design methodology which has previously been used, where coil parameter selection is based upon static considerations, has been revised. Displacement transducer sensors which overcome the collocation problem are discussed.

Extracellular matrix motion and early morphogenesis

PubMed Central

Loganathan, Rajprasad; Rongish, Brenda J.; Smith, Christopher M.; Filla, Michael B.; Czirok, Andras; Bénazéraf, Bertrand

2016-01-01

For over a century, embryologists who studied cellular motion in early amniotes generally assumed that morphogenetic movement reflected migration relative to a static extracellular matrix (ECM) scaffold. However, as we discuss in this Review, recent investigations reveal that the ECM is also moving during morphogenesis. Time-lapse studies show how convective tissue displacement patterns, as visualized by ECM markers, contribute to morphogenesis and organogenesis. Computational image analysis distinguishes between cell-autonomous (active) displacements and convection caused by large-scale (composite) tissue movements. Modern quantification of large-scale ‘total’ cellular motion and the accompanying ECM motion in the embryo demonstrates that a dynamic ECM is required for generation of the emergent motion patterns that drive amniote morphogenesis. PMID:27302396

Static and Dynamical Structural Investigations of Metal-Oxide Nanocrystals by Powder X-ray Diffraction: Colloidal Tungsten Oxide as a Case Study

DOE PAGES

Caliandro, Rocco; Sibillano, Teresa; Belviso, B. Danilo; ...

2016-02-02

In this study, we have developed a general X-ray powder diffraction (XPD) methodology for the simultaneous structural and compositional characterization of inorganic nanomaterials. The approach is validated on colloidal tungsten oxide nanocrystals (WO 3-x NCs), as a model polymorphic nanoscale material system. Rod-shaped WO 3-x NCs with different crystal structure and stoichiometry are comparatively investigated under an inert atmosphere and after prolonged air exposure. An initial structural model for the as-synthesized NCs is preliminarily identified by means of Rietveld analysis against several reference crystal phases, followed by atomic pair distribution function (PDF) refinement of the best-matching candidates (static analysis). Subtlemore » stoichiometry deviations from the corresponding bulk standards are revealed. NCs exposed to air at room temperature are monitored by XPD measurements at scheduled time intervals. The static PDF analysis is complemented with an investigation into the evolution of the WO 3-x NC structure, performed by applying the modulation enhanced diffraction technique to the whole time series of XPD profiles (dynamical analysis). Prolonged contact with ambient air is found to cause an appreciable increase in the static disorder of the O atoms in the WO 3-x NC lattice, rather than a variation in stoichiometry. Finally, the time behavior of such structural change is identified on the basis of multivariate analysis.« less

The Smoluchowski limit for a simple mechanical model

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

Calderoni, P.; Duerr, D.

1989-05-01

The authors consider a vertical stick constantly accelerated along the x-axis by a force F and which elastically collides with point particles of the same mass (atoms). The atoms are initially Poisson distributed and are allowed to have four velocities only. It is shown that under suitable scaling of the system the displacement Q(t) of the stick satisfies a nontrivial CLT: Q(t) = vFt + D{sup 1/2}W(t) (Smoluchowski equation), where the values of v and D depend on the fact that one atom may collide several times.

Molecular ion yield enhancement induced by gold deposition in static secondary ion mass spectrometry

NASA Astrophysics Data System (ADS)

Wehbe, Nimer; Delcorte, Arnaud; Heile, Andreas; Arlinghaus, Heinrich F.; Bertrand, Patrick

2008-12-01

Static ToF-SIMS was used to evaluate the effect of gold condensation as a sample treatment prior to analysis. The experiments were carried out with a model molecular layer (Triacontane M = 422.4 Da), upon atomic (In +) and polyatomic (Bi 3+) projectile bombardment. The results indicate that the effect of molecular ion yield improvement using gold metallization exists only under atomic projectile impact. While the quasi-molecular ion (M+Au) + signal can become two orders of magnitude larger than that of the deprotonated molecular ion from the pristine sample under In + bombardment, it barely reaches the initial intensity of (M-H) + when Bi 3+ projectiles are used. The differences observed for mono- and polyatomic primary ion bombardment might be explained by differences in near-surface energy deposition, which influences the sputtering and ionization processes.

Normal-faulting slip maxima and stress-drop variability: a geological perspective

USGS Publications Warehouse

Hecker, S.; Dawson, T.E.; Schwartz, D.P.

2010-01-01

We present an empirical estimate of maximum slip in continental normal-faulting earthquakes and present evidence that stress drop in intraplate extensional environments is dependent on fault maturity. A survey of reported slip in historical earthquakes globally and in latest Quaternary paleoearthquakes in the Western Cordillera of the United States indicates maximum vertical displacements as large as 6–6.5 m. A difference in the ratio of maximum-to-mean displacements between data sets of prehistoric and historical earthquakes, together with constraints on bias in estimates of mean paleodisplacement, suggest that applying a correction factor of 1.4±0.3 to the largest observed displacement along a paleorupture may provide a reasonable estimate of the maximum displacement. Adjusting the largest paleodisplacements in our regional data set (~6 m) by a factor of 1.4 yields a possible upper-bound vertical displacement for the Western Cordillera of about 8.4 m, although a smaller correction factor may be more appropriate for the longest ruptures. Because maximum slip is highly localized along strike, if such large displacements occur, they are extremely rare. Static stress drop in surface-rupturing earthquakes in the Western Cordillera, as represented by maximum reported displacement as a fraction of modeled rupture length, appears to be larger on normal faults with low cumulative geologic displacement (<2 km) and larger in regions such as the Rocky Mountains, where immature, low-throw faults are concentrated. This conclusion is consistent with a growing recognition that structural development influences stress drop and indicates that this influence is significant enough to be evident among faults within a single intraplate environment.

Silicene on Ag(1 1 1): Geometric and electronic structures of a new honeycomb material of Si

NASA Astrophysics Data System (ADS)

Takagi, Noriaki; Lin, Chun-Liang; Kawahara, Kazuaki; Minamitani, Emi; Tsukahara, Noriyuki; Kawai, Maki; Arafune, Ryuichi

2015-02-01

Silicene, a two-dimensional honeycomb sheet consisting of Si atoms, has attracted much attention as a new low-dimensional material because it gains various fascinating characteristics originating from the combination of Dirac fermion features with spin-orbit coupling. The novel properties such as the quantum spin Hall effect and the compatibility with the current Si device technologies have fueled competition to realize the silicene. This review article focuses on the geometric and electronic structures of silicene grown on Ag(1 1 1) investigated by scanning tunneling microcopy (STM), low energy electron diffraction (LEED) and density functional theory (DFT) calculations. The silicene on Ag(1 1 1) takes locally-buckled structure in which the Si atoms are displaced perpendicularly to the basal plane. As a result, several superstructures such as 4 × 4,√{ 13 } ×√{ 13 } R 13.9 °, 4 /√{ 3 } × 4 /√{ 3 } , and etc. emerge. The atomic arrangement of the 4 × 4 silicene has been determined by STM, DFT calculations and LEED dynamical analysis, while the other superstructures remain to be fully-resolved. In the 4 × 4 silicene, Si atoms are arranged to form a buckled honeycomb structure where six Si atoms of 18 Si atoms in the unit cell are displaced vertically. The displacements lead to the vertical shift of the substrate Ag atoms, indicating the non-negligible coupling at the interface between the silicene layer and the substrate. The interface coupling significantly modifies the electronic structure of the 4 × 4 silicene. No Landau level sequences were observed by scanning tunneling spectroscopy (STS) with magnetic fields applied perpendicularly to the sample surface. The DFT calculations showed that the π and π∗ bands derived from the Si 3pz are hybridized with the Ag electronic states, leading to the drastic modification in the band structure and then the absence of Dirac fermion features together with the two-dimensionality in the electronic states. These findings demonstrate that the strong coupling at the interface causes the symmetry breaking for the 4 × 4 silicene and as a result the disappearance of Dirac fermion features. The geometric and electronic structures of other superstructures are also discussed.

An examination of the shrinking-core model of sub-micron aluminum combustion

NASA Astrophysics Data System (ADS)

Buckmaster, John; Jackson, Thomas L.

2013-04-01

We revisit the shrinking-core model of sub-micron aluminum combustion with particular attention to the mass flux balance at the reaction front which necessarily leads to a displacement velocity of the alumina shell surrounding the liquid aluminum. For the planar problem this displacement simply leads to an equal displacement of the entire alumina layer, and therefore a straightforward mathematical framework can be constructed. In this way we are able to construct a single curve which defines the burn time for arbitrary values of the diffusion coefficient of O atoms, the reaction rate, the characteristic length of the combustion field, and the O atom mass concentration within the alumina provided that it is much smaller than the aluminum density. This demonstrates a transition between a 'd 2-t' law for fast chemistry and a 'd-t' law for slow chemistry. For the spherical geometry, the one of physical interest, the outward displacement velocity creates not a simple displacement, but a stress field which, when examined within the framework of linear elasticity, strongly suggests the creation of internal cracking. We note that if the molten aluminum is pushed into these cracks by the high internal pressure characteristic of the stress field, its surface, where reaction occurs, could be fractal in nature and affect the fundamental nature of the burning law. Indeed, if this ingredient is added to the planar model, a single curve for the burn time can again be derived, and this describes a transition from a 'd 2-t' law to a 'd ν-t' law, where 0<ν<1.

Determination of recombination radius in Si for binary collision approximation codes

DOE PAGES

Vizkelethy, Gyorgy; Foiles, Stephen M.

2015-09-11

Displacement damage caused by ions or neutrons in microelectronic devices can have significant effect on the performance of these devices. Therefore, it is important to predict not only the displacement damage profile, but also its magnitude precisely. Analytical methods and binary collision approximation codes working with amorphous targets use the concept of displacement energy, the energy that a lattice atom has to receive to create a permanent replacement. It was found that this “displacement energy” is direction dependent; it can range from 12 to 32 eV in silicon. Obviously, this model fails in BCA codes that work with crystalline targets,more » such as Marlowe. Marlowe does not use displacement energy; instead, it uses lattice binding energy only and then pairs the interstitial atoms with vacancies. Then based on the configuration of the Frenkel pairs it classifies them as close, near, or distant pairs, and considers the distant pairs the permanent replacements. Unfortunately, this separation is an ad hoc assumption, and the results do not agree with molecular dynamics calculations. After irradiation, there is a prompt recombination of interstitials and vacancies if they are nearby, within a recombination radius. In order to implement this recombination radius in Marlowe, we used the comparison of MD and Marlowe calculation in a range of ion energies in single crystal silicon target. As a result, the calculations showed that a single recombination radius of ~7.4 Å in Marlowe for a range of ion energies gives an excellent agreement with MD.« less

7-Meth­oxy-2-phenyl­chroman-4-one

PubMed Central

Piaskowska, Agata; Hodorowicz, Maciej; Nitek, Wojciech

2013-01-01

In the title compound, C16H14O3, the ring O atom and the two adjacent non-fused C atoms, as well as the attached phenyl ring, exhibit static disorder [occupancy ratio 0.559 (12):0.441 (12)]. The crystal packing features π–π [centroid–centroid distance = 3.912 (1) Å] and C—H⋯π inter­actions. PMID:23424545

Atomic-Scale Theoretical Studies of Fundamental Properties and Processes in CHNO Plastic-Bonded Explosive Constituent Materials under Static and Dynamic Compression

NASA Astrophysics Data System (ADS)

Sewell, Thomas

2013-06-01

The results of recent theoretical atomic-scale studies of CHNO plastic-bonded explosive constituent materials will be presented, emphasizing the effects of static and dynamic compression on structure, vibrational spectroscopy, energy redistribution, and dynamic deformation processes. Among the chemical compounds to be discussed are pentaerythritol tetranitrate (PETN), hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX), nitromethane, and hydroxyl-terminated polybutadiene (HTPB). Specific topics to be discussed include pressure-dependent terahertz IR absorption spectra in crystalline PETN and RDX, microscopic material flow characteristics and energy localization during and after pore collapse in shocked (100)-oriented RDX, establishment of local thermodynamic temperature and the approach to thermal equilibrium in shocked (100)-oriented nitromethane, and structural changes and relaxation phenomena that occur in shocked amorphous cis-HTPB. In the case of shocked HTPB, comparisons will be made between results obtained using fully-atomic and coarse-grained (united atom) molecular dynamics force field models. Rather than attempting to discuss any given topic in extended detail, 3-4 vignettes will be presented that highlight outstanding scientific questions and the predictive methods and tools we are developing to answer them. The U.S. Defense Threat Reduction Agency and Office of Naval Research supported this research.

Crystal structure and phase transition in (NH4)3WO2F5: from dynamic to static orientational disorder.

PubMed

Udovenko, Anatoly; Laptash, Natalia

2015-08-01

Single crystals of tungsten double salt (NH4)3WO2F5 = (NH4)3[WO2F4]F have been synthesized by solid-state reaction or from fluoride solution and its crystal structures at 296 and 193 K were determined by X-ray diffraction. At room temperature, the crystal structure of the compound is dynamically disordered with the ligand atoms statistically distributed on two positions (6e and 24m) of the Pm3m unit cell [a = 6.0298 (1) Å], and the tungsten atom dynamically disordered on 12 orientations forming a spatial cuboctahedron [W12] that enables the real geometry of cis-WO2F4 octahedron to be determined with two short W-O distances. On cooling, the compound undergoes a first-order phase transition with the symmetry change Pm3m → Pa3 and a doubling of the unit-cell parameter [a = 11.9635 (7) Å]. The ligand F(O) atoms statistically occupy two general 24d sites and form W1X6 and W2X6 octahedra, in which the O and F atoms are not crystallographically different that means a static orientational disorder of (NH4)3WO2F5.

Evaluation of stress intensity factors for bi-material interface cracks using displacement jump methods

NASA Astrophysics Data System (ADS)

Nehar, K. C.; Hachi, B. E.; Cazes, F.; Haboussi, M.

2017-12-01

The aim of the present work is to investigate the numerical modeling of interfacial cracks that may appear at the interface between two isotropic elastic materials. The extended finite element method is employed to analyze brittle and bi-material interfacial fatigue crack growth by computing the mixed mode stress intensity factors (SIF). Three different approaches are introduced to compute the SIFs. In the first one, mixed mode SIF is deduced from the computation of the contour integral as per the classical J-integral method, whereas a displacement method is used to evaluate the SIF by using either one or two displacement jumps located along the crack path in the second and third approaches. The displacement jump method is rather classical for mono-materials, but has to our knowledge not been used up to now for a bi-material. Hence, use of displacement jump for characterizing bi-material cracks constitutes the main contribution of the present study. Several benchmark tests including parametric studies are performed to show the effectiveness of these computational methodologies for SIF considering static and fatigue problems of bi-material structures. It is found that results based on the displacement jump methods are in a very good agreement with those of exact solutions, such as for the J-integral method, but with a larger domain of applicability and a better numerical efficiency (less time consuming and less spurious boundary effect).

Entanglement dynamics in a Kerr spacetime

NASA Astrophysics Data System (ADS)

Menezes, G.

2018-04-01

We consider the entanglement dynamics between two-level atoms in a rotating black hole background. In our model the two-atom system is envisaged as an open system coupled with a massless scalar field prepared in one of the physical vacuum states of interest. We employ the quantum master equation in the Born-Markov approximation in order to describe the time evolution of the atomic subsystem. We investigate two different states of motion for the atoms, namely static atoms and also stationary atoms with zero angular momentum. The purpose of this work is to expound the impact on the creation of entanglement coming from the combined action of the different physical processes underlying the Hawking effect and the Unruh-Starobinskii effect. We demonstrate that, in the scenario of rotating black holes, the degree of quantum entanglement is significantly modified due to the phenomenon of superradiance in comparison with the analogous cases in a Schwarzschild spacetime. In the perspective of a zero angular momentum observer (ZAMO), one is allowed to probe entanglement dynamics inside the ergosphere, since static observers cannot exist within such a region. On the other hand, the presence of superradiant modes could be a source for violation of complete positivity. This is verified when the quantum field is prepared in the Frolov-Thorne vacuum state. In this exceptional situation, we raise the possibility that the loss of complete positivity is due to the breakdown of the Markovian approximation, which means that any arbitrary physically admissible initial state of the two atoms would not be capable to hold, with time evolution, its interpretation as a physical state inasmuch as negative probabilities are generated by the dynamical map.

Development of a High Precision Displacement Measurement System by Fusing a Low Cost RTK-GPS Sensor and a Force Feedback Accelerometer for Infrastructure Monitoring.

PubMed

Koo, Gunhee; Kim, Kiyoung; Chung, Jun Yeon; Choi, Jaemook; Kwon, Nam-Yeol; Kang, Doo-Young; Sohn, Hoon

2017-11-28

A displacement measurement system fusing a low cost real-time kinematic global positioning system (RTK-GPS) receiver and a force feedback accelerometer is proposed for infrastructure monitoring. The proposed system is composed of a sensor module, a base module and a computation module. The sensor module consists of a RTK-GPS rover and a force feedback accelerometer, and is installed on a target structure like conventional RTK-GPS sensors. The base module is placed on a rigid ground away from the target structure similar to conventional RTK-GPS bases, and transmits observation messages to the sensor module. Then, the initial acceleration, velocity and displacement responses measured by the sensor module are transmitted to the computation module located at a central monitoring facility. Finally, high precision and high sampling rate displacement, velocity, and acceleration are estimated by fusing the acceleration from the accelerometer, the velocity from the GPS rover, and the displacement from RTK-GPS. Note that the proposed displacement measurement system can measure 3-axis acceleration, velocity as well as displacement in real time. In terms of displacement, the proposed measurement system can estimate dynamic and pseudo-static displacement with a root-mean-square error of 2 mm and a sampling rate of up to 100 Hz. The performance of the proposed system is validated under sinusoidal, random and steady-state vibrations. Field tests were performed on the Yeongjong Grand Bridge and Yi Sun-sin Bridge in Korea, and the Xihoumen Bridge in China to compare the performance of the proposed system with a commercial RTK-GPS sensor and other data fusion techniques.

Density functional study for crystalline structures and electronic properties of Si1- x Sn x binary alloys

NASA Astrophysics Data System (ADS)

Nagae, Yuki; Kurosawa, Masashi; Shibayama, Shigehisa; Araidai, Masaaki; Sakashita, Mitsuo; Nakatsuka, Osamu; Shiraishi, Kenji; Zaima, Shigeaki

2016-08-01

We have carried out density functional theory (DFT) calculation for Si1- x Sn x alloy and investigated the effect of the displacement of Si and Sn atoms with strain relaxation on the lattice constant and E- k dispersion. We calculated the formation probabilities for all atomic configurations of Si1- x Sn x according to the Boltzmann distribution. The average lattice constant and E- k dispersion were weighted by the formation probability of each configuration of Si1- x Sn x . We estimated the displacement of Si and Sn atoms from the initial tetrahedral site in the Si1- x Sn x unit cell considering structural relaxation under hydrostatic pressure, and we found that the breaking of the degenerated electronic levels of the valence band edge could be caused by the breaking of the tetrahedral symmetry. We also calculated the E- k dispersion of the Si1- x Sn x alloy by the DFT+U method and found that a Sn content above 50% would be required for the indirect-direct transition.

Atomistic modeling of the low-frequency mechanical modes and Raman spectra of icosahedral virus capsids

NASA Astrophysics Data System (ADS)

Dykeman, Eric C.; Sankey, Otto F.

2010-02-01

We describe a technique for calculating the low-frequency mechanical modes and frequencies of a large symmetric biological molecule where the eigenvectors of the Hessian matrix are determined with full atomic detail. The method, which follows order N methods used in electronic structure theory, determines the subset of lowest-frequency modes while using group theory to reduce the complexity of the problem. We apply the method to three icosahedral viruses of various T numbers and sizes; the human viruses polio and hepatitis B, and the cowpea chlorotic mottle virus, a plant virus. From the normal-mode eigenvectors, we use a bond polarizability model to predict a low-frequency Raman scattering profile for the viruses. The full atomic detail in the displacement patterns combined with an empirical potential-energy model allows a comparison of the fully atomic normal modes with elastic network models and normal-mode analysis with only dihedral degrees of freedom. We find that coarse-graining normal-mode analysis (particularly the elastic network model) can predict the displacement patterns for the first few (˜10) low-frequency modes that are global and cooperative.

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

Costa, Liborio I., E-mail: liborio78@gmail.com

A new Markov Chain Monte Carlo method for simulating the dynamics of particle systems characterized by hard-core interactions is introduced. In contrast to traditional Kinetic Monte Carlo approaches, where the state of the system is associated with minima in the energy landscape, in the proposed method, the state of the system is associated with the set of paths traveled by the atoms and the transition probabilities for an atom to be displaced are proportional to the corresponding velocities. In this way, the number of possible state-to-state transitions is reduced to a discrete set, and a direct link between the Montemore » Carlo time step and true physical time is naturally established. The resulting rejection-free algorithm is validated against event-driven molecular dynamics: the equilibrium and non-equilibrium dynamics of hard disks converge to the exact results with decreasing displacement size.« less

The effect of normal load on polytetrafluoroethylene tribology.

PubMed

Barry, Peter R; Chiu, Patrick Y; Perry, Scott S; Sawyer, W Gregory; Phillpot, Simon R; Sinnott, Susan B

2009-04-08

The tribological behavior of oriented poly(tetrafluoroethylene) (PTFE) sliding surfaces is examined as a function of sliding direction and applied normal load in classical molecular dynamics (MD) simulations. The forces are calculated with the second-generation reactive empirical bond-order potential for short-range interactions, and with a Lennard-Jones potential for long-range interactions. The range of applied normal loads considered is 5-30 nN. The displacement of interfacial atoms from their initial positions during sliding is found to vary by a factor of seven, depending on the relative orientation of the sliding chains. However, within each sliding configuration the magnitude of the interfacial atomic displacements exhibits little dependence on load over the range considered. The predicted friction coefficients are also found to vary with chain orientation and are in excellent quantitative agreement with experimental measurements.

Displacement cascades in a borosilicate glass: Influence of the level of polymerization on the cascade morphology

NASA Astrophysics Data System (ADS)

Delaye, J. M.; Ghaleb, D.

1998-02-01

We have performed some molecular dynamics calculations of displacement cascades in a simplified nuclear glass (SiO 2 + B 2O 3 + Na 2O + Al 2O 3 + ZrO 2). We have observed that the damaged volume at the end of the collision sequence can be divided into a so called highly damaged volume and lightly damaged volume. The aim of this paper is to propose an explanation of this phenomenon by considering that some regions are easy to cross by the projectile and others are difficult to cross by the projectile. Regions which are easy to cross correspond to those containing Na atoms with a low level of polymerisation, and regions which are difficult to cross are areas no containing Na atoms with a high level of polymerisation.

The effect of normal load on polytetrafluoroethylene tribology

NASA Astrophysics Data System (ADS)

Barry, Peter R.; Chiu, Patrick Y.; Perry, Scott S.; Sawyer, W. Gregory; Phillpot, Simon R.; Sinnott, Susan B.

2009-04-01

The tribological behavior of oriented poly(tetrafluoroethylene) (PTFE) sliding surfaces is examined as a function of sliding direction and applied normal load in classical molecular dynamics (MD) simulations. The forces are calculated with the second-generation reactive empirical bond-order potential for short-range interactions, and with a Lennard-Jones potential for long-range interactions. The range of applied normal loads considered is 5-30 nN. The displacement of interfacial atoms from their initial positions during sliding is found to vary by a factor of seven, depending on the relative orientation of the sliding chains. However, within each sliding configuration the magnitude of the interfacial atomic displacements exhibits little dependence on load over the range considered. The predicted friction coefficients are also found to vary with chain orientation and are in excellent quantitative agreement with experimental measurements.

Neutron radiation damage studies in the structural materials of a 500 MWe fast breeder reactor using DPA cross-sections from ENDF / B-VII.1

NASA Astrophysics Data System (ADS)

Saha, Uttiyoarnab; Devan, K.; Bachchan, Abhitab; Pandikumar, G.; Ganesan, S.

2018-04-01

The radiation damage in the structural materials of a 500 MWe Indian prototype fast breeder reactor (PFBR) is re-assessed by computing the neutron displacement per atom (dpa) cross-sections from the recent nuclear data library evaluated by the USA, ENDF / B-VII.1, wherein revisions were taken place in the new evaluations of basic nuclear data because of using the state-of-the-art neutron cross-section experiments, nuclear model-based predictions and modern data evaluation techniques. An indigenous computer code, computation of radiation damage (CRaD), is developed at our centre to compute primary-knock-on atom (PKA) spectra and displacement cross-sections of materials both in point-wise and any chosen group structure from the evaluated nuclear data libraries. The new radiation damage model, athermal recombination-corrected displacement per atom (arc-dpa), developed based on molecular dynamics simulations is also incorporated in our study. This work is the result of our earlier initiatives to overcome some of the limitations experienced while using codes like RECOIL, SPECTER and NJOY 2016, to estimate radiation damage. Agreement of CRaD results with other codes and ASTM standard for Fe dpa cross-section is found good. The present estimate of total dpa in D-9 steel of PFBR necessitates renormalisation of experimental correlations of dpa and radiation damage to ensure consistency of damage prediction with ENDF / B-VII.1 library.

Patient Litter System Response in a Full-Scale CH-46 Crash Test.

PubMed

Weisenbach, Charles A; Rooks, Tyler; Bowman, Troy; Fralish, Vince; McEntire, B Joseph

2017-03-01

U.S. Military aeromedical patient litter systems are currently required to meet minimal static strength performance requirements at the component level. Operationally, these components must function as a system and are subjected to the dynamics of turbulent flight and potentially crash events. The first of two full-scale CH-46 crash tests was conducted at NASA's Langley Research Center and included an experiment to assess patient and litter system response during a severe but survivable crash event. A three-tiered strap and pole litter system was mounted into the airframe and occupied by three anthropomorphic test devices (ATDs). During the crash event, the litter system failed to maintain structural integrity and collapsed. Component structural failures were recorded from the litter support system and the litters. The upper ATD was displaced laterally into the cabin, while the middle ATD was displaced longitudinally into the cabin. Acceleration, force, and bending moment data from the instrumented middle ATD were analyzed using available injury criteria. Results indicated that a patient might sustain a neck injury. The current test illustrates that a litter system, with components designed and tested to static requirements only, experiences multiple component structural failures during a dynamic crash event and does not maintain restraint control of its patients. It is unknown if a modern litter system, with components tested to the same static criteria, would perform differently. A systems level dynamic performance requirement needs to be developed so that patients can be provided with protection levels equivalent to that provided to seated aircraft occupants. Reprint & Copyright © 2017 Association of Military Surgeons of the U.S.

Multidirectional In Vivo Characterization of Skin Using Wiener Nonlinear Stochastic System Identification Techniques.

PubMed

Parker, Matthew D; Jones, Lynette A; Hunter, Ian W; Taberner, A J; Nash, M P; Nielsen, P M F

2017-01-01

A triaxial force-sensitive microrobot was developed to dynamically perturb skin in multiple deformation modes, in vivo. Wiener static nonlinear identification was used to extract the linear dynamics and static nonlinearity of the force-displacement behavior of skin. Stochastic input forces were applied to the volar forearm and thenar eminence of the hand, producing probe tip perturbations in indentation and tangential extension. Wiener static nonlinear approaches reproduced the resulting displacements with variances accounted for (VAF) ranging 94-97%, indicating a good fit to the data. These approaches provided VAF improvements of 0.1-3.4% over linear models. Thenar eminence stiffness measures were approximately twice those measured on the forearm. Damping was shown to be significantly higher on the palm, whereas the perturbed mass typically was lower. Coefficients of variation (CVs) for nonlinear parameters were assessed within and across individuals. Individual CVs ranged from 2% to 11% for indentation and from 2% to 19% for extension. Stochastic perturbations with incrementally increasing mean amplitudes were applied to the same test areas. Differences between full-scale and incremental reduced-scale perturbations were investigated. Different incremental preloading schemes were investigated. However, no significant difference in parameters was found between different incremental preloading schemes. Incremental schemes provided depth-dependent estimates of stiffness and damping, ranging from 300 N/m and 2 Ns/m, respectively, at the surface to 5 kN/m and 50 Ns/m at greater depths. The device and techniques used in this research have potential applications in areas, such as evaluating skincare products, assessing skin hydration, or analyzing wound healing.

STRUCTURE OF POTASSIUM HYDROGEN MALEATE BY NEUTRON DIFFRACTION

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

Peterson, S.W.; Levy, H.A.

1958-10-01

The preliminary results of a neutron diffraction study are presented which confirm the existence in potassium hydrogen maleate of a short, strong, hydrogen bond and show the ion to be at least statistically symmetrical. The hydrogen is strongly linked to both neighboring oxygen atoms, and there is an existing mode of correlated motion of considerable amplitude in which the oxygen atoms are displaced but hydrogen is not. (J.R.D.)

Development of elements of the condition monitoring system of turbo generators of thermal power stations and nuclear power plants

NASA Astrophysics Data System (ADS)

Kumenko, A. I.; Kostyukov, V. N.; Kuz'minykh, N. Yu.; Boichenko, S. N.; Timin, A. V.

2017-08-01

The rationale is given for the improvement of the regulatory framework for the use of shaft sensors for the in-service condition monitoring of turbo generators and the development of control systems of shaft surfacing and misalignments of supports. A modern concept and a set of methods are proposed for the condition monitoring of the "shaft line-thrust bearing oil film-turbo generator supports" system elements based on the domestic COMPACS® technology. The system raw data are design, technology, installation, and operating parameters of the turbo generator as well as measured parameters of the absolute vibration of supports and mechanical quantities, relative displacements and relative vibration of the rotor teeth in accordance with GOST R 55263-2012. The precalculated shaft line assembly line in the cold state, the nominal parameters of rotor teeth positions on the dynamic equilibrium curve, the static and dynamic characteristics of the oil film of thrust bearings, and the shaft line stiffness matrix of unit support displacements have been introduced into the system. Using the COMPACS-T system, it is planned to measure positions and oscillations of rotor teeth, to count corresponding static and dynamic characteristics of the oil film, and the static and dynamic loads in the supports in real time. Using the obtained data, the system must determine the misalignments of supports and corrective alignments of rotors of coupling halves, voltages in rotor teeth, welds, and bolts of the coupling halves, and provide automatic conclusion if condition monitoring parameters correspond to standard values. A part of the methodological support for the proposed system is presented, including methods for determining static reactions of supports under load, the method for determining shaft line stiffness matrices, and the method for solving the inverse problem, i.e., the determination of the misalignments of the supports by measurements of rotor teeth relative positions in bearing housings. The procedure for calculating misalignments of turbo generator shaft line supports is set out.

Comprehensive Forced Response Analysis of J2X Turbine Bladed-Discs with 360 Degree Variation in CFD Loading

NASA Technical Reports Server (NTRS)

Elrod, David; Christensen, Eric; Brown, Andrew

2011-01-01

The temporal frequency content of the dynamic pressure predicted by a 360 degree computational fluid dynamics (CFD) analysis of a turbine flow field provides indicators of forcing function excitation frequencies (e.g., multiples of blade pass frequency) for turbine components. For the Pratt and Whitney Rocketdyne J-2X engine turbopumps, Campbell diagrams generated using these forcing function frequencies and the results of NASTRAN modal analyses show a number of components with modes in the engine operating range. As a consequence, forced response and static analyses are required for the prediction of combined stress, high cycle fatigue safety factors (HCFSF). Cyclically symmetric structural models have been used to analyze turbine vane and blade rows, not only in modal analyses, but also in forced response and static analyses. Due to the tortuous flow pattern in the turbine, dynamic pressure loading is not cyclically symmetric. Furthermore, CFD analyses predict dynamic pressure waves caused by adjacent and non-adjacent blade/vane rows upstream and downstream of the row analyzed. A MATLAB script has been written to calculate displacements due to the complex cyclically asymmetric dynamic pressure components predicted by CFD analysis, for all grids in a blade/vane row, at a chosen turbopump running speed. The MATLAB displacements are then read into NASTRAN, and dynamic stresses are calculated, including an adjustment for possible mistuning. In a cyclically symmetric NASTRAN static analysis, static stresses due to centrifugal, thermal, and pressure loading at the mode running speed are calculated. MATLAB is used to generate the HCFSF at each grid in the blade/vane row. When compared to an approach assuming cyclic symmetry in the dynamic flow field, the current approach provides better assurance that the worst case safety factor has been identified. An extended example for a J-2X turbopump component is provided.

Application of a net-based baseline correction scheme to strong-motion records of the 2011 Mw 9.0 Tohoku earthquake

NASA Astrophysics Data System (ADS)

Tu, Rui; Wang, Rongjiang; Zhang, Yong; Walter, Thomas R.

2014-06-01

The description of static displacements associated with earthquakes is traditionally achieved using GPS, EDM or InSAR data. In addition, displacement histories can be derived from strong-motion records, allowing an improvement of geodetic networks at a high sampling rate and a better physical understanding of earthquake processes. Strong-motion records require a correction procedure appropriate for baseline shifts that may be caused by rotational motion, tilting and other instrumental effects. Common methods use an empirical bilinear correction on the velocity seismograms integrated from the strong-motion records. In this study, we overcome the weaknesses of an empirically based bilinear baseline correction scheme by using a net-based criterion to select the timing parameters. This idea is based on the physical principle that low-frequency seismic waveforms at neighbouring stations are coherent if the interstation distance is much smaller than the distance to the seismic source. For a dense strong-motion network, it is plausible to select the timing parameters so that the correlation coefficient between the velocity seismograms of two neighbouring stations is maximized after the baseline correction. We applied this new concept to the KiK-Net and K-Net strong-motion data available for the 2011 Mw 9.0 Tohoku earthquake. We compared the derived coseismic static displacement with high-quality GPS data, and with the results obtained using empirical methods. The results show that the proposed net-based approach is feasible and more robust than the individual empirical approaches. The outliers caused by unknown problems in the measurement system can be easily detected and quantified.

Origami-based mechanical metamaterials with tunable frequency band structures (Conference Presentation)

NASA Astrophysics Data System (ADS)

Yasuda, Hiromi; Pratt, Riley; Yang, Jinkyu

2017-04-01

We investigate wave dynamics in origami-based mechanical metamaterials composed of bellows-like origami structures, specifically the Tachi-Miura Polyhedron (TMP). One of the unique features of the TMP is that its structural deformations take place only along the crease lines, therefore the structure can be made of rigid plates and hinges. By utilizing this feature, we introduce linear torsional springs to model the crease lines and derive the force and displacement relationship of the TMP structure along the longitudinal direction. Our analysis shows strain softening/hardening behaviors in compression/tensile regions respectively, and the force-displacement curve can be manipulated by altering the initial configuration of the TMP (e.g., the initial folding angle). We also fabricate physical prototypes and measure the force-displacement behavior to verify our analytical model. Based on this static analysis on the TMP, we simplify the TMP structure into a linkage model, preserving the tunable strain softening/hardening behaviors. Dynamic analysis is also conducted numerically to analyze the frequency response of the simplified TMP unit cell under harmonic excitations. The simplified TMP exhibits a transition between linear and nonlinear behaviors, which depends on the amplitude of the excitation and the initial configuration. In addition, we design a 1D system composed of simplified TMP unit cells and analyze the relationship between frequency and wave number. If two different configurations of the unit cell (e.g., different initial folding angles) are connected in an alternating arrangement, the system develops frequency bandgaps. These unique static/dynamic behaviors can be exploited to design engineering devices which can handle vibrations and impact in an efficient manner.

Dynamic ocean management increases the efficiency and efficacy of fisheries management.

PubMed

Dunn, Daniel C; Maxwell, Sara M; Boustany, Andre M; Halpin, Patrick N

2016-01-19

In response to the inherent dynamic nature of the oceans and continuing difficulty in managing ecosystem impacts of fisheries, interest in the concept of dynamic ocean management, or real-time management of ocean resources, has accelerated in the last several years. However, scientists have yet to quantitatively assess the efficiency of dynamic management over static management. Of particular interest is how scale influences effectiveness, both in terms of how it reflects underlying ecological processes and how this relates to potential efficiency gains. Here, we address the empirical evidence gap and further the ecological theory underpinning dynamic management. We illustrate, through the simulation of closures across a range of spatiotemporal scales, that dynamic ocean management can address previously intractable problems at scales associated with coactive and social patterns (e.g., competition, predation, niche partitioning, parasitism, and social aggregations). Furthermore, it can significantly improve the efficiency of management: as the resolution of the closures used increases (i.e., as the closures become more targeted), the percentage of target catch forgone or displaced decreases, the reduction ratio (bycatch/catch) increases, and the total time-area required to achieve the desired bycatch reduction decreases. In the scenario examined, coarser scale management measures (annual time-area closures and monthly full-fishery closures) would displace up to four to five times the target catch and require 100-200 times more square kilometer-days of closure than dynamic measures (grid-based closures and move-on rules). To achieve similar reductions in juvenile bycatch, the fishery would forgo or displace between USD 15-52 million in landings using a static approach over a dynamic management approach.

Origins of Moiré Patterns in CVD-grown MoS2 Bilayer Structures at the Atomic Scales.

PubMed

Wang, Jin; Namburu, Raju; Dubey, Madan; Dongare, Avinash M

2018-06-21

The chemical vapor deposition (CVD)-grown two-dimensional molybdenum disulfide (MoS 2 ) structures comprise of flakes of few layers with different dimensions. The top layers are relatively smaller in size than the bottom layers, resulting in the formation of edges/steps across adjacent layers. The strain response of such few-layer terraced structures is therefore likely to be different from exfoliated few-layered structures with similar dimensions without any terraces. In this study, the strain response of CVD-grown few-layered MoS 2 terraced structures is investigated at the atomic scales using classic molecular dynamics (MD) simulations. MD simulations suggest that the strain relaxation of CVD-grown triangular terraced structures is observed in the vertical displacement of the atoms across the layers that results in the formation of Moiré patterns. The Moiré islands are observed to nucleate at the corners or edges of the few-layered structure and propagate inwards under both tensile and compressive strains. The nucleation of these islands is observed to happen at tensile strains of ~ 2% and at compressive strains of ~2.5%. The vertical displacements of the atoms and the dimensions of the Moiré islands predicted using the MD simulation are in excellent agreement with that observed experimentally.

Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

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

Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias

2015-08-26

The aim of our study is to characterize some atomic-scale properties of Ni-based FCC multicomponent alloys. For this purpose, we use Monte Carlo method combined with density functional theory calculations to study short-range order (SRO), atomic displacements, electronic density of states, and magnetic moments in equimolar ternary NiCrCo, and quaternary NiCrCoFe alloys. The salient features for the ternary alloy are a negative SRO parameter between Ni Cr and a positive between Cr Cr pairs as well as a weakly magnetic state. For the quaternary alloy we predict negative SRO parameter for Ni Cr and Ni Fe pairs and positive formore » Cr Cr and Fe Fe pairs. Atomic displacements for both ternary and quaternary alloys are negligible. In contrast to the ternary, the quaternary alloy shows a complex magnetic structure. The electronic structure of the ternary and quaternary alloys shows differences near the Fermi energy between a random solid solution and the predicted structure with SRO. Despite that, the calculated EXAFS spectra does not show enough contrast to discriminate between random and ordered structures. Finally, the predicted SRO has an impact on point-defect energetics, electron phonon coupling and thermodynamic functions and thus, SRO should not be neglected when studying properties of these two alloys.« less

Investigation of the Dynamic Contact Angle Using a Direct Numerical Simulation Method.

PubMed

Zhu, Guangpu; Yao, Jun; Zhang, Lei; Sun, Hai; Li, Aifen; Shams, Bilal

2016-11-15

A large amount of residual oil, which exists as isolated oil slugs, remains trapped in reservoirs after water flooding. Numerous numerical studies are performed to investigate the fundamental flow mechanism of oil slugs to improve flooding efficiency. Dynamic contact angle models are usually introduced to simulate an accurate contact angle and meniscus displacement of oil slugs under a high capillary number. Nevertheless, in the oil slug flow simulation process, it is unnecessary to introduce the dynamic contact angle model because of a negligible change in the meniscus displacement after using the dynamic contact angle model when the capillary number is small. Therefore, a critical capillary number should be introduced to judge whether the dynamic contact model should be incorporated into simulations. In this study, a direct numerical simulation method is employed to simulate the oil slug flow in a capillary tube at the pore scale. The position of the interface between water and the oil slug is determined using the phase-field method. The capacity and accuracy of the model are validated using a classical benchmark: a dynamic capillary filling process. Then, different dynamic contact angle models and the factors that affect the dynamic contact angle are analyzed. The meniscus displacements of oil slugs with a dynamic contact angle and a static contact angle (SCA) are obtained during simulations, and the relative error between them is calculated automatically. The relative error limit has been defined to be 5%, beyond which the dynamic contact angle model needs to be incorporated into the simulation to approach the realistic displacement. Thus, the desired critical capillary number can be determined. A three-dimensional universal chart of critical capillary number, which functions as static contact angle and viscosity ratio, is given to provide a guideline for oil slug simulation. Also, a fitting formula is presented for ease of use.

Optical and magnetic properties of free-standing silicene, germanene and T-graphene system

NASA Astrophysics Data System (ADS)

Chowdhury, Suman; Bandyopadhyay, Arka; Dhar, Namrata; Jana, Debnarayan

2017-05-01

The physics of two-dimensional (2D) materials is always intriguing in their own right. For all of these elemental 2D materials, a generic characteristic feature is that all the atoms of the materials are exposed on the surface, and thus tuning the structure and physical properties by surface treatments becomes very easy and straightforward. The discovery of graphene have fostered intensive research interest in the field of graphene like 2D materials such as silicene and germanene (hexagonal network of silicon and germanium, respectively). In contrast to the planar graphene lattice, the silicene and germanene honeycomb lattice is slightly buckled and composed of two vertically displaced sublattices.The magnetic properties were studied by introducing mono- and di-vacancy (DV), as well as by doping phosphorus and aluminium into the pristine silicene. It is observed that there is no magnetism in the mono-vacancy system, while there is large significant magnetic moment present for the DV system. The optical anisotropy of four differently shaped silicene nanodisks has revealed that diamond-shaped (DS) silicene nanodisk possesses highest static dielectric constant having no zero-energy states. The study of optical properties in silicene nanosheet network doped by aluminium (Al), phosphorus (P) and aluminium-phosphorus (Al-P) atoms has revealed that unlike graphene, no new electron energy loss spectra (EELS) peak occurs irrespective of doping type for parallel polarization. Tetragonal graphene (T-graphene) having non-equivalent (two kinds) bonds and non-honeycomb structure shows Dirac-like fermions and high Fermi velocity. The higher stability, large dipole moment along with high-intensity Raman active modes are observed in N-doped T-graphene. All these theoretical results may shed light on device fabrication in nano-optoelectronic technology and material characterization techniques in T-graphene, doped silicene, and germanene.

Inductively guided circuits for ultracold dressed atoms

PubMed Central

Sinuco-León, German A.; Burrows, Kathryn A.; Arnold, Aidan S.; Garraway, Barry M.

2014-01-01

Recent progress in optics, atomic physics and material science has paved the way to study quantum effects in ultracold atomic alkali gases confined to non-trivial geometries. Multiply connected traps for cold atoms can be prepared by combining inhomogeneous distributions of DC and radio-frequency electromagnetic fields with optical fields that require complex systems for frequency control and stabilization. Here we propose a flexible and robust scheme that creates closed quasi-one-dimensional guides for ultracold atoms through the ‘dressing’ of hyperfine sublevels of the atomic ground state, where the dressing field is spatially modulated by inductive effects over a micro-engineered conducting loop. Remarkably, for commonly used atomic species (for example, 7Li and 87Rb), the guide operation relies entirely on controlling static and low-frequency fields in the regimes of radio-frequency and microwave frequencies. This novel trapping scheme can be implemented with current technology for micro-fabrication and electronic control. PMID:25348163

Blade Displacement Measurement Technique Applied to a Full-Scale Rotor Test

NASA Technical Reports Server (NTRS)

Abrego, Anita I.; Olson, Lawrence E.; Romander, Ethan A.; Barrows, Danny A.; Burner, Alpheus W.

2012-01-01

Blade displacement measurements using multi-camera photogrammetry were acquired during the full-scale wind tunnel test of the UH-60A Airloads rotor, conducted in the National Full-Scale Aerodynamics Complex 40- by 80-Foot Wind Tunnel. The objectives were to measure the blade displacement and deformation of the four rotor blades as they rotated through the entire rotor azimuth. These measurements are expected to provide a unique dataset to aid in the development and validation of rotorcraft prediction techniques. They are used to resolve the blade shape and position, including pitch, flap, lag and elastic deformation. Photogrammetric data encompass advance ratios from 0.15 to slowed rotor simulations of 1.0, thrust coefficient to rotor solidity ratios from 0.01 to 0.13, and rotor shaft angles from -10.0 to 8.0 degrees. An overview of the blade displacement measurement methodology and system development, descriptions of image processing, uncertainty considerations, preliminary results covering static and moderate advance ratio test conditions and future considerations are presented. Comparisons of experimental and computational results for a moderate advance ratio forward flight condition show good trend agreements, but also indicate significant mean discrepancies in lag and elastic twist. Blade displacement pitch measurements agree well with both the wind tunnel commanded and measured values.

A numerical study of defect detection in a plaster dome ceiling using structural acoustics.

PubMed

Bucaro, J A; Romano, A J; Valdivia, N; Houston, B H; Dey, S

2009-07-01

A numerical study is carried out to evaluate the effectiveness of using measured surface displacements resulting from acoustic speaker excitation to detect and localize flaws in a domed, plaster ceiling. The response of the structure to an incident acoustic pressure is obtained at four frequencies between 100 and 400 Hz using a parallel h-p structural acoustic finite element-based code. Three ceiling conditions are modeled: the pristine ceiling considered rigidly attached to the domed-shape support, partial detachment of a segment of the plaster layer from the support, and an interior pocket of plaster deconsolidation modeled as a heavy fluid. Spatial maps of the normal displacement resulting from speaker excitation are interpreted with the help of predictions based on static analysis. It is found that acoustic speaker excitation can provide displacement levels readily detected by commercially available laser Doppler vibrometer systems. Further, it is concluded that for 1 in. thick plaster layers, detachment sizes as small as 4 cm are detectable by direct observation of the measured displacement maps. Finally, spatial structure differences are observed in the displacement maps beneath the two defect types, which may provide a wavenumber-based feature useful for distinguishing plaster detachment from other defects such as deconsolidation.

New triangular and quadrilateral plate-bending finite elements

NASA Technical Reports Server (NTRS)

Narayanaswami, R.

1974-01-01

A nonconforming plate-bending finite element of triangular shape and associated quadrilateral elements are developed. The transverse displacement is approximated within the element by a quintic polynomial. The formulation takes into account the effects of transverse shear deformation. Results of the static and dynamic analysis of a square plate, with edges simply supported or clamped, are compared with exact solutions. Good accuracy is obtained in all calculations.

Blast-Induced Acceleration in a Shock Tube: Distinguishing Primary and Tertiary Blast Injury

DTIC Science & Technology

2015-10-01

these well-defined exposure conditions, anesthetized rats are used to simultaneously record intracranial pressure (ICP), intravascular pressure , and...blast flow conditions (e.g. peak static and total pressure , positive phase duration, and impulse) and acceleration and displacement of a wide range of...resultant pressure responses in varied compartments in concert with the neuropathological, neurochemical, and neurobehavioral consequences of exposures

Assessment of magnetic field interactions and radiofrequency‐radiation‐induced heating of metallic spinal implants in 7 T field

PubMed Central

Tsukimura, Itsuko; Sasaki, Makoto; Endo, Hirooki; Yamabe, Daisuke; Oikawa, Ryosuke; Doita, Minoru

2017-01-01

ABSTRACT The safety of metallic spinal implants in magnetic resonance imaging (MRI) performed using ultrahigh fields has not been established. Hence, we examined whether the displacement forces caused by a static magnetic field and the heating induced by radiofrequency radiation are substantial for spinal implants in a 7 T field. We investigated spinal rods of various lengths and materials, a screw, and a cross‐linking bridge in accordance with the American Society for Testing and Materials guidelines. The displacement forces of the metallic implants in static 7 T and 3 T static magnetic fields were measured and compared. The temperature changes of the implants during 15‐min‐long fast spin‐echo and balanced gradient‐echo image acquisition sequences were measured in the 7 T field. The deflection angles of the metallic spinal materials in the 7 T field were 5.0–21.0° [median: 6.7°], significantly larger than those in the 3 T field (1.0–6.3° [2.2°]). Among the metallic rods, the cobalt–chrome rods had significantly larger deflection angles (17.8–21.0° [19.8°]) than the pure titanium and titanium alloy rods (5.0–7.7° [6.2°]). The temperature changes of the implants, including the cross‐linked rods, were 0.7–1.0°C [0.8°C] and 0.6–1.0°C [0.7°C] during the fast spin‐echo and balanced gradient‐echo sequences, respectively; these changes were slightly larger than those of the controls (0.4–1.1°C [0.5°C] and 0.3–0.9°C [0.6°C], respectively). All of the metallic spinal implants exhibited small displacement forces and minimal heating, indicating that MRI examinations using 7 T fields may be performed safely on patients with these implants. © 2016 The Authors. Journal of Orthopaedic Research Published by Wiley Periodicals, Inc. on behalf of Orthopaedic Research Society. J Orthop Res 35:1831–1837, 2017. PMID:27769107

Assessment of magnetic field interactions and radiofrequency-radiation-induced heating of metallic spinal implants in 7 T field.

PubMed

Tsukimura, Itsuko; Murakami, Hideki; Sasaki, Makoto; Endo, Hirooki; Yamabe, Daisuke; Oikawa, Ryosuke; Doita, Minoru

2017-08-01

The safety of metallic spinal implants in magnetic resonance imaging (MRI) performed using ultrahigh fields has not been established. Hence, we examined whether the displacement forces caused by a static magnetic field and the heating induced by radiofrequency radiation are substantial for spinal implants in a 7 T field. We investigated spinal rods of various lengths and materials, a screw, and a cross-linking bridge in accordance with the American Society for Testing and Materials guidelines. The displacement forces of the metallic implants in static 7 T and 3 T static magnetic fields were measured and compared. The temperature changes of the implants during 15-min-long fast spin-echo and balanced gradient-echo image acquisition sequences were measured in the 7 T field. The deflection angles of the metallic spinal materials in the 7 T field were 5.0-21.0° [median: 6.7°], significantly larger than those in the 3 T field (1.0-6.3° [2.2°]). Among the metallic rods, the cobalt-chrome rods had significantly larger deflection angles (17.8-21.0° [19.8°]) than the pure titanium and titanium alloy rods (5.0-7.7° [6.2°]). The temperature changes of the implants, including the cross-linked rods, were 0.7-1.0°C [0.8°C] and 0.6-1.0°C [0.7°C] during the fast spin-echo and balanced gradient-echo sequences, respectively; these changes were slightly larger than those of the controls (0.4-1.1°C [0.5°C] and 0.3-0.9°C [0.6°C], respectively). All of the metallic spinal implants exhibited small displacement forces and minimal heating, indicating that MRI examinations using 7 T fields may be performed safely on patients with these implants. © 2016 The Authors. Journal of Orthopaedic Research Published by Wiley Periodicals, Inc. on behalf of Orthopaedic Research Society. J Orthop Res 35:1831-1837, 2017. © 2016 The Authors. Journal of Orthopaedic Research Published by Wiley Periodicals, Inc. on behalf of Orthopaedic Research Society.

Generalized squeezing rotating-wave approximation to the isotropic and anisotropic Rabi model in the ultrastrong-coupling regime

NASA Astrophysics Data System (ADS)

Zhang, Yu-Yu

2016-12-01

Generalized squeezing rotating-wave approximation (GSRWA) is proposed by employing both the displacement and the squeezing transformations. A solvable Hamiltonian is reformulated in the same form as the ordinary RWA ones. For a qubit coupled to oscillators experiment, a well-defined Schrödinger-cat-like entangled state is given by the displaced-squeezed oscillator state instead of the original displaced state. For the isotropic Rabi case, the mean photon number and the ground-state energy are expressed analytically with additional squeezing terms, exhibiting a substantial improvement of the GSRWA. And the ground-state energy in the anisotropic Rabi model confirms the effectiveness of the GSRWA. Due to the squeezing effect, the GSRWA improves the previous methods only with the displacement transformation in a wide range of coupling strengths even for large atom frequency.

Single- and multi-frequency detection of surface displacements via scanning probe microscopy.

PubMed

Romanyuk, Konstantin; Luchkin, Sergey Yu; Ivanov, Maxim; Kalinin, Arseny; Kholkin, Andrei L

2015-02-01

Piezoresponse force microscopy (PFM) provides a novel opportunity to detect picometer-level displacements induced by an electric field applied through a conducting tip of an atomic force microscope (AFM). Recently, it was discovered that superb vertical sensitivity provided by PFM is high enough to monitor electric-field-induced ionic displacements in solids, the technique being referred to as electrochemical strain microscopy (ESM). ESM has been implemented only in multi-frequency detection modes such as dual AC resonance tracking (DART) and band excitation, where the response is recorded within a finite frequency range, typically around the first contact resonance. In this paper, we analyze and compare signal-to-noise ratios of the conventional single-frequency method with multi-frequency regimes of measuring surface displacements. Single-frequency detection ESM is demonstrated using a commercial AFM.

An ignition key for atomic-scale engines

NASA Astrophysics Data System (ADS)

Dundas, Daniel; Cunningham, Brian; Buchanan, Claire; Terasawa, Asako; Paxton, Anthony T.; Todorov, Tchavdar N.

2012-10-01

A current-carrying resonant nanoscale device, simulated by non-adiabatic molecular dynamics, exhibits sharp activation of non-conservative current-induced forces with bias. The result, above the critical bias, is generalized rotational atomic motion with a large gain in kinetic energy. The activation exploits sharp features in the electronic structure, and constitutes, in effect, an ignition key for atomic-scale motors. A controlling factor for the effect is the non-equilibrium dynamical response matrix for small-amplitude atomic motion under current. This matrix can be found from the steady-state electronic structure by a simpler static calculation, providing a way to detect the likely appearance, or otherwise, of non-conservative dynamics, in advance of real-time modelling.

2-Oxo promoted hydrophosphonylation & aerobic intramolecular nucleophilic displacement reaction.

PubMed

Battula, Satyanarayana; Battini, Narsaiah; Singh, Deepika; Ahmed, Qazi Naveed

2015-08-28

Highly efficient catalyst free methods for the synthesis of α-hydroxy-β-oxophosphonates and α-oxoesters have been described. The existence of a 2-oxo group in α-oxoaldehydes is a key factor in promoting the reaction of the tervalent phosphite form towards 2-oxoaldehydes in the synthesis of α-hydroxy-β-oxophosphonates. The in situ activated α-C-H atom of α-hydroxy-β-oxophosphonates sustains aerobic intramolecular nucleophilic displacement in a curious way to produce α-oxoester.

Mechanistic Study of Oxygen Atom Transfer Catalyzed by Rhenium Compounds

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

Shan, Xiaopeng

2003-01-01

Two ionic and one neutral methyl(oxo)rhenium(V) compounds were synthesized and structurally characterized. They were compared in reactivity towards the ligands triphenylphosphane, pyridines, pyridine N-oxides. Assistance from Broensted bases was found on ligand displacement of ionic rhenium compounds as well as nucleophile assistance on oxidation of all compounds. From the kinetic data, crystal structures, and an analysis of the intermediates, a structural formula of PicH +3 - and mechanisms of ligand displacement and oxidation were proposed.

Geometric structure of anatase Ti O2(101 )

NASA Astrophysics Data System (ADS)

Treacy, Jon P. W.; Hussain, Hadeel; Torrelles, Xavier; Grinter, David C.; Cabailh, Gregory; Bikondoa, Oier; Nicklin, Christopher; Selcuk, Sencer; Selloni, Annabella; Lindsay, Robert; Thornton, Geoff

2017-02-01

Surface x-ray diffraction has been used to determine the quantitative structure of the (101) termination of anatase Ti O2 . The atomic displacements from the bulk-terminated structure are significantly different from those previously calculated with density functional theory (DFT) methods with discrepancies for the Ti displacements in the [10 1 ¯] direction of up to 0.3 Å . DFT calculations carried out as part of the current paper provide a much better agreement through improved accuracy and thicker slab models.

Displacement energy of the surface layers of tungsten

NASA Astrophysics Data System (ADS)

Han, Longtao; Krstic, Predrag

2015-11-01

A molecular dynamics study with BOP potential is used to calculate the threshold displacement energy (ED) of primary knock-on atoms in the surface layers of the tungsten bcc crystal lattice at 300 K and at various crystallographic directions. Depending on the direction, ED is 10% to 75% smaller from the bulk value at the first layer, interfacing vacuum, while it reaches close to the bulk value already at the third tungsten layer. Supported by IACS of SBU and LDRD of PPPL.

Analysis of dynamic cantilever behavior in tapping mode atomic force microscopy.

PubMed

Deng, Wenqi; Zhang, Guang-Ming; Murphy, Mark F; Lilley, Francis; Harvey, David M; Burton, David R

2015-10-01

Tapping mode atomic force microscopy (AFM) provides phase images in addition to height and amplitude images. Although the behavior of tapping mode AFM has been investigated using mathematical modeling, comprehensive understanding of the behavior of tapping mode AFM still poses a significant challenge to the AFM community, involving issues such as the correct interpretation of the phase images. In this paper, the cantilever's dynamic behavior in tapping mode AFM is studied through a three dimensional finite element method. The cantilever's dynamic displacement responses are firstly obtained via simulation under different tip-sample separations, and for different tip-sample interaction forces, such as elastic force, adhesion force, viscosity force, and the van der Waals force, which correspond to the cantilever's action upon various different representative computer-generated test samples. Simulated results show that the dynamic cantilever displacement response can be divided into three zones: a free vibration zone, a transition zone, and a contact vibration zone. Phase trajectory, phase shift, transition time, pseudo stable amplitude, and frequency changes are then analyzed from the dynamic displacement responses that are obtained. Finally, experiments are carried out on a real AFM system to support the findings of the simulations. © 2015 Wiley Periodicals, Inc.

Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations.

PubMed

van de Streek, Jacco; Neumann, Marcus A

2010-10-01

This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 A either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect.

Compressing the fluctuation of the magnetic field by dynamic compensation

NASA Astrophysics Data System (ADS)

Wang, Wenli; Dong, Richang; Wei, Rong; Chen, Tingting; Wang, Qian; Wang, Yuzhu

2018-03-01

We present a dynamic compensation method to compress the spatial fluctuation of the static magnetic field (C-field) that provides a quantization axis in the atomic fountain clock. The coil current of the C-field is point-by-point modulated in accordance with the atoms probing the magnetic field along the flight trajectory. A homogeneous field with a 0.2 nT inhomogeneity is produced compared to a 5 nT under the static magnetic field with a constant current during the Ramsey interrogation. The corresponding uncertainty associated with the second-order Zeeman shift that we calculate is improved by one order of magnitude. The technique provides an alternative method to improve the uniformity of the magnetic field, particularly for large-scale equipment that is difficult to construct with an effective magnetic shielding. Our method is simple, robust, and essentially important in frequency evaluations concerning the dominant uncertainty contribution due to the quadratic Zeeman shift.

Quantum memory with a controlled homogeneous splitting

NASA Astrophysics Data System (ADS)

Hétet, G.; Wilkowski, D.; Chanelière, T.

2013-04-01

We propose a quantum memory protocol where an input light field can be stored onto and released from a single ground state atomic ensemble by controlling dynamically the strength of an external static and homogeneous field. The technique relies on the adiabatic following of a polaritonic excitation onto a state for which the forward collective radiative emission is forbidden. The resemblance with the archetypal electromagnetically induced transparency is only formal because no ground state coherence-based slow-light propagation is considered here. As compared to the other grand category of protocols derived from the photon-echo technique, our approach only involves a homogeneous static field. We discuss two physical situations where the effect can be observed, and show that in the limit where the excited state lifetime is longer than the storage time; the protocols are perfectly efficient and noise free. We compare the technique with other quantum memories, and propose atomic systems where the experiment can be realized.

Effects of acute static, ballistic, and PNF stretching exercise on the muscle and tendon tissue properties.

PubMed

Konrad, A; Stafilidis, S; Tilp, M

2017-10-01

The purpose of this study was to investigate the influence of a single static, ballistic, or proprioceptive neuromuscular facilitation (PNF) stretching exercise on the various muscle-tendon parameters of the lower leg and to detect possible differences in the effects between the methods. Volunteers (n = 122) were randomly divided into static, ballistic, and PNF stretching groups and a control group. Before and after the 4 × 30 s stretching intervention, we determined the maximum dorsiflexion range of motion (RoM) with the corresponding fascicle length and pennation angle of the gastrocnemius medialis. Passive resistive torque (PRT) and maximum voluntary contraction (MVC) were measured with a dynamometer. Observation of muscle-tendon junction (MTJ) displacement with ultrasound allowed us to determine the length changes in the tendon and muscle, respectively, and hence to calculate stiffness. Although RoM increased (static: +4.3%, ballistic: +4.5%, PNF: +3.5%), PRT (static: -11.4%, ballistic: -11.5%, PNF: -13,7%), muscle stiffness (static: -13.1%, ballistic: -20.3%, PNF: -20.2%), and muscle-tendon stiffness (static: -11.3%, ballistic: -10.5%, PNF: -13.7%) decreased significantly in all the stretching groups. Only in the PNF stretching group, the pennation angle in the stretched position (-4.2%) and plantar flexor MVC (-4.6%) decreased significantly. Multivariate analysis showed no clinically relevant difference between the stretching groups. The increase in RoM and the decrease in PRT and muscle-tendon stiffness could be explained by more compliant muscle tissue following a single static, ballistic, or PNF stretching exercise. © 2017 The Authors Scandinavian Journal of Medicine & Science In Sports Published by John Wiley & Sons Ltd.

Fatigue crack tip deformation and fatigue crack propagation

NASA Technical Reports Server (NTRS)

Kang, T. S.; Liu, H. W.

1972-01-01

The effects of stress ratio, prestress cycling and plate thickness on the fatigue crack propagation rate are studied on 2024-T351 aluminum alloy. Fatigue crack propagation rate increases with the plate thickness and the stress ratio. Prestress cycling below the static yield strength has no noticeable effect on the fatigue crack propagation rate. However, prestress cycling above the static yield strength causes the material to strain harden and increases the fatigue crack propagation rate. Crack tip deformation is used to study the fatigue crack propagation. The crack tip strains and the crack opening displacements were measured from moire fringe patterns. The moire fringe patterns were obtained by a double exposure technique, using a very high density master grille (13,400 lines per inch).

Second order tensor finite element

NASA Technical Reports Server (NTRS)

Oden, J. Tinsley; Fly, J.; Berry, C.; Tworzydlo, W.; Vadaketh, S.; Bass, J.

1990-01-01

The results of a research and software development effort are presented for the finite element modeling of the static and dynamic behavior of anisotropic materials, with emphasis on single crystal alloys. Various versions of two dimensional and three dimensional hybrid finite elements were implemented and compared with displacement-based elements. Both static and dynamic cases are considered. The hybrid elements developed in the project were incorporated into the SPAR finite element code. In an extension of the first phase of the project, optimization of experimental tests for anisotropic materials was addressed. In particular, the problem of calculating material properties from tensile tests and of calculating stresses from strain measurements were considered. For both cases, numerical procedures and software for the optimization of strain gauge and material axes orientation were developed.

Layerwise mechanics and finite element for the dynamic analysis of piezoelectric composite plates

NASA Technical Reports Server (NTRS)

Saravanos, Dimitris A.; Heyliger, Paul R.; Hopkins, Dale A.

1996-01-01

Laminate and structural mechanics for the analysis of laminated composite plate structures with piezoelectric actuators and sensors are presented. The theories implement layerwise representations of displacements and electric potential, and can model both the global and local electromechanical response of smart composite laminates. Finite-element formulations are developed for the quasi-static and dynamic analysis of smart composite structures containing piezoelectric layers. Comparisons with an exact solution illustrate the accuracy, robustness and capability of the developed mechanics to capture the global and local response of thin and/or thick laminated piezoelectric plates. Additional correlations and numerical applications demonstrate the unique capabilities of the mechanics in analyzing the static and free-vibration response of composite plates with distributed piezoelectric actuators and sensors.

Theoretical Studies of the Structure and the Dynamics on Clean and Chemisorbed Metal Surfaces

NASA Astrophysics Data System (ADS)

Yang, Liqiu

Molecular dynamics (MD) and lattice dynamics (LD) techniques are employed to investigate several phenomena related to the structure and vibrations at metal surfaces. The MD simulations are performed with the many-body interaction potentials obtained using the Embedded-Atom Method (EAM). As specific examples, we present the results for Ag(100) at 300 K and Cu(100) at 150 K, 300 K, and 600 K. The calculated frequencies and polarizations of all surface modes and resonances at the high-symmetry points in the two-dimensional Brillouin zone are in good agreement with available data, as well as, existing lattice dynamics results with force constants obtained from first-principles calculations. Our calculated surface relaxation is also in reasonable agreement with the data. We also test a much simpler lattice dynamics model with nearest neighbor central force interactions, and conclude that it can reproduce the main features of the phonon modes, but only when adjustable surface parameters are used. Additionally, the temperature dependent studies of the phonon line-widths and the mean-square displacement (MSD) of surface atoms are indicative of enhanced surface anharmonicity. On several chemisorbed metal surfaces, for which force constants are not available from first-principles calculations or the EAM, we perform lattice dynamics studies of phonon dispersion curves using simple force-constant models. These studies provide reliable mean-square displacement of surface atoms and can distinguish between possible reconstruction patterns, the results being insensitive to the exact values of the surface parameters. On c(2 times 2)S-Ni(100), it is found that the parallel component of the mean-square displacement for sulfur is around 50% larger than the vertical component, but for the mean-square displacement of oxygen atoms in the system c(2 times 2)O-Ni(100), the opposite is the case. As regards surface reconstruction, for both p(2 times 1)O-Ag(110) and p(2 times 1)O-Ni(110) surfaces, it is concluded that a substrate missing-row type reconstruction is induced by the adsorbates, but the local symmetry is C_{2v} with oxygen atoms at the long-bridge sites for the former and C_{s} with (110) being the only symmetry axis for the latter. In the above theoretical analysis, close contacts are made to many available experimental results such as surface phonon dispersion curves, interlayer relaxations, and Debye -Waller factors and adsorbate-substrate bond lengths.

The fabrication of a tapered fiber connector and its coupling efficiency

NASA Astrophysics Data System (ADS)

Qinggui, Hu; Chengzhong, Li

2017-11-01

In order to reduce the adverse influence of transversal displacement of the optical fiber connector, we propose the directional tapered communication fiber connector, in which the fiber head is tapered according to the signal transmission direction to improve efficiency. We used a flame-brush technique to produce the tapered fiber successfully. In the next step, two experiments in different environments were performed; one in a static environment and the other in a vibration environment. The first experiment shows that the efficiency of the tapered connector is higher than that of the common connector in the same transversal displacement. The second experiment shows that the efficiency of the tapered connector is higher than that of the common connector in the same frequency and amplitude.

Documentation of programs that compute 1) quasi-static tilts produced by an expanding dislocation loop in an elastic and viscoelastic material, and 2) surface shear stresses, strains, and shear displacements produced by screw dislocations in a vertical slab with modulus contrast

USGS Publications Warehouse

McHugh, Stuart

1976-01-01

The material in this report can be grouped into two categories: 1) programs that compute tilts produced by a vertically oriented expanding rectangular dislocation loop in an elastic or viscoelastic material and 2) programs that compute the shear stresses, strains, and shear displacements in a three-phase half-space (i.e. a half-space containing a vertical slab). Each section describes the relevant theory, and provides a detailed guide to the operation of the programs. A series of examples is provided at the end of each section.

Extracellular matrix motion and early morphogenesis.

PubMed

Loganathan, Rajprasad; Rongish, Brenda J; Smith, Christopher M; Filla, Michael B; Czirok, Andras; Bénazéraf, Bertrand; Little, Charles D

2016-06-15

For over a century, embryologists who studied cellular motion in early amniotes generally assumed that morphogenetic movement reflected migration relative to a static extracellular matrix (ECM) scaffold. However, as we discuss in this Review, recent investigations reveal that the ECM is also moving during morphogenesis. Time-lapse studies show how convective tissue displacement patterns, as visualized by ECM markers, contribute to morphogenesis and organogenesis. Computational image analysis distinguishes between cell-autonomous (active) displacements and convection caused by large-scale (composite) tissue movements. Modern quantification of large-scale 'total' cellular motion and the accompanying ECM motion in the embryo demonstrates that a dynamic ECM is required for generation of the emergent motion patterns that drive amniote morphogenesis. © 2016. Published by The Company of Biologists Ltd.

Vibrational properties of TaW alloy using modified embedded atom method potential

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

Chand, Manesh, E-mail: maneshchand@gmail.com; Uniyal, Shweta; Joshi, Subodh

2016-05-06

Force-constants up to second neighbours of pure transition metal Ta and TaW alloy are determined using the modified embedded atom method (MEAM) potential. The obtained force-constants are used to calculate the phonon dispersion of pure Ta and TaW alloy. As a further application of MEAM potential, the force-constants are used to calculate the local vibrational density of states and mean square thermal displacements of pure Ta and W impurity atoms with Green’s function method. The calculated results are found to be in agreement with the experimental measurements.

Crystal structure, phase transition and structural deformations in iron borate (Y0.95Bi0.05)Fe3(BO3)4 in the temperature range 90-500 K.

PubMed

Smirnova, Ekaterina S; Alekseeva, Olga A; Dudka, Alexander P; Artemov, Vladimir V; Zubavichus, Yan V; Gudim, Irina A; Bezmaterhykh, Leonard N; Frolov, Kirill V; Lyubutin, Igor S

2018-04-01

An accurate X-ray diffraction study of (Y 0.95 Bi 0.05 )Fe 3 (BO 3 ) 4 single crystals in the temperature range 90-500 K was performed on a laboratory diffractometer and used synchrotron radiation. It was established that the crystal undergoes a diffuse structural phase transition in the temperature range 350-380 K. The complexity of localization of such a transition over temperature was overcome by means of special analysis of systematic extinction reflections by symmetry. The transition temperature can be considered to be T str ≃ 370 K. The crystal has a trigonal structure in the space group P3 1 21 at temperatures of 90-370 K, and it has a trigonal structure in the space group R32 at 375-500 K. There is one type of chain formed by the FeO 6 octahedra along the c axis in the R32 phase. When going into the P3 1 21 phase, two types of nonequivalent chains arise, in which Fe atoms are separated from the Y atoms by a different distance. Upon lowering the temperature from 500 to 90 K, a distortion of the Y(Bi)O 6 , FeO 6 , B(2,3)O 3 coordination polyhedra is observed. The distances between atoms in helical Fe chains and Fe-O-Fe angles change non-uniformly. A sharp jump in the equivalent isotropic displacement parameters of O1 and O2 atoms within the Fe-Fe chains and fluctuations of the equivalent isotropic displacement parameters of B2 and B3 atoms were observed in the region of structural transition as well as noticeable elongation of O1, O2, B2, B3, Fe1, Fe2 atomic displacement ellipsoids. It was established that the helices of electron density formed by Fe, O1 and O2 atoms may be structural elements determining chirality, optical activity and multiferroicity of rare-earth iron borates. Compression and stretching of these helices account for the symmetry change and for the manifestation of a number of properties, whose geometry is controlled by an indirect exchange interaction between iron cations that compete with the thermal motion of atoms in the structure. Structural analysis detected these changes as variations of a number of structural characteristics in the c unit-cell direction, that is, the direction of the helices. Structural results for the local surrounding of the atoms in (Y 0.95 Bi 0.05 )Fe 3 (BO 3 ) 4 were confirmed by EXAFS and Mössbauer spectroscopies.

Quasi-Static Compression and Low-Velocity Impact Behavior of Tri-Axial Bio-Composite Structural Panels Using a Spherical Head

PubMed Central

Li, Jinghao; Hunt, John F; Gong, Shaoqin; Cai, Zhiyong

2017-01-01

This paper presents experimental results of both quasi-static compression and low-velocity impact behavior for tri-axial bio-composite structural panels using a spherical load head. Panels were made having different core and face configurations. The results showed that panels made having either carbon fiber fabric composite faces or a foam-filled core had significantly improved impact and compressive performance over panels without either. Different localized impact responses were observed based on the location of the compression or impact relative to the tri-axial structural core; the core with a smaller structural element had better impact performance. Furthermore, during the early contact phase for both quasi-static compression and low-velocity impact tests, the panels with the same configuration had similar load-displacement responses. The experimental results show basic compression data could be used for the future design and optimization of tri-axial bio-composite structural panels for potential impact applications. PMID:28772542

Design and static structural analysis of a race car chassis for Formula Society of Automotive Engineers (FSAE) event

NASA Astrophysics Data System (ADS)

Mohamad, M. L.; Rahman, M. T. A.; Khan, S. F.; Basha, M. H.; Adom, A. H.; Hashim, M. S. M.

2017-10-01

The main purpose of this study is to make improvement for the UniMAP Automotive Racing Team car chassis which has several problems associated with the chassis must be fixed and some changes are needed to be made in order to perform well. This study involves the process of designing three chassis that are created based on the rules stated by FSAE rules book (2017/2018). The three chassis will undergo analysis test that consists of five tests which are main roll hoop test, front roll hoop test, static shear, side impact, static torsional loading and finally one of them will be selected as the best design in term of Von Mises Stress and torsional displacement. From the results obtained, the new selected chassis design which also declared as the new improved design poses the weight of 27.66 kg which was decreased by 16.7% from the existing chassis (32.77 kg). The torsional rigidity of the improved chassis increased by 37.74%.

Air stepping in response to optic flows that move Toward and Away from the neonate.

PubMed

Barbu-Roth, Marianne; Anderson, David I; Desprès, Adeline; Streeter, Ryan J; Cabrol, Dominique; Trujillo, Michael; Campos, Joseph J; Provasi, Joëlle

2014-07-01

To shed further light on the perceptual regulation of newborn stepping, we compared neonatal air stepping in response to optic flows simulating forward or backward displacement with stepping forward on a surface. Twenty-two 3-day-olds performed four 60 s trials in which they stepped forward on a table (Tactile) or in the air in response to a pattern that moved toward (Toward) or away (Away) from them or was static (Static). Significantly more steps were taken in the Tactile and Toward conditions than the Static condition. The Away condition was intermediate to the other conditions. The knee joint activity across the entire trial was significantly greater in the Toward than the Away condition. Within-limb kinematics and between-limb coordination were very similar for steps taken in the air and on the table, particularly in the Toward and Tactile conditions. These findings highlight that visual and tactile stimulation can equally elicit neonatal stepping. © 2013 Wiley Periodicals, Inc.

Control Augmented Structural Synthesis

NASA Technical Reports Server (NTRS)

Lust, Robert V.; Schmit, Lucien A.

1988-01-01

A methodology for control augmented structural synthesis is proposed for a class of structures which can be modeled as an assemblage of frame and/or truss elements. It is assumed that both the plant (structure) and the active control system dynamics can be adequately represented with a linear model. The structural sizing variables, active control system feedback gains and nonstructural lumped masses are treated simultaneously as independent design variables. Design constraints are imposed on static and dynamic displacements, static stresses, actuator forces and natural frequencies to ensure acceptable system behavior. Multiple static and dynamic loading conditions are considered. Side constraints imposed on the design variables protect against the generation of unrealizable designs. While the proposed approach is fundamentally more general, here the methodology is developed and demonstrated for the case where: (1) the dynamic loading is harmonic and thus the steady state response is of primary interest; (2) direct output feedback is used for the control system model; and (3) the actuators and sensors are collocated.

The fluid trampoline: droplets bouncing on a soap film

NASA Astrophysics Data System (ADS)

Bush, John; Gilet, Tristan

2008-11-01

We present the results of a combined experimental and theoretical investigation of droplets falling onto a horizontal soap film. Both static and vertically vibrated soap films are considered. A quasi-static description of the soap film shape yields a force-displacement relation that provides excellent agreement with experiment, and allows us to model the film as a nonlinear spring. This approach yields an accurate criterion for the transition between droplet bouncing and crossing on the static film; moreover, it allows us to rationalize the observed constancy of the contact time and scaling for the coefficient of restitution in the bouncing states. On the vibrating film, a variety of bouncing behaviours were observed, including simple and complex periodic states, multiperiodicity and chaos. A simple theoretical model is developed that captures the essential physics of the bouncing process, reproducing all observed bouncing states. Quantitative agreement between model and experiment is deduced for simple periodic modes, and qualitative agreement for more complex periodic and chaotic bouncing states.

Determination of atomic site susceptibility tensors from neutron diffraction data on polycrystalline samples.

PubMed

Gukasov, A; Brown, P J

2010-12-22

Polarized neutron diffraction can provide information about the atomic site susceptibility tensor χ(ij) characterizing the magnetic response of individual atoms to an external magnetic field (Gukasov and Brown 2002 J. Phys.: Condens. Mater. 14 8831). The six independent atomic susceptibility parameters (ASPs) can be determined from polarized neutron flipping ratio measurements on single crystals and visualized as magnetic ellipsoids which are analogous to the thermal ellipsoids obtained from atomic displacement parameters (ADPs). We demonstrate now that the information about local magnetic susceptibility at different magnetic sites in a crystal can also be obtained from polarized and unpolarized neutron diffraction measurements on magnetized powder samples. The validity of the method is illustrated by the results of such measurements on a polycrystalline sample of Tb(2)Sn(2)O(7).

Combined BC/MD approach to the evaluation of damage from fast neutrons and its implementation for beryllium irradiation in a fusion reactor

NASA Astrophysics Data System (ADS)

Borodin, V. A.; Vladimirov, P. V.

2017-12-01

The determination of primary damage production efficiency in metals irradiated with fast neutrons is a complex problem. Typically, the majority of atoms are displaced from their lattice positions not by neutrons themselves, but by energetic primary recoils, that can produce both single Frenkel pairs and dense localized cascades. Though a number of codes are available for the calculation of displacement damage from fast ions, they commonly use binary collision (BC) approximation, which is unreliable for dense cascades and thus tend to overestimate the number of created displacements. In order to amend the radiation damage predictions, this work suggests a combined approach, where the BC approximation is used for counting single Frenkel pairs only, whereas the secondary recoils able to produce localized dense cascades are stored for later processing, but not followed explicitly. The displacement production in dense cascades is then determined independently from molecular dynamics (MD) simulations. Combining contributions from different calculations, one gets the total number of displacements created by particular neutron spectrum. The approach is applied here to the case of beryllium irradiation in a fusion reactor. Using a relevant calculated energy spectrum of primary knocked-on atoms (PKAs), it is demonstrated that more than a half of the primary point defects (˜150/PKA) is produced by low-energy recoils in the form of single Frenkel pairs. The contribution to the damage from the dense cascades as predicted using the mixed BC/MD scheme, i.e. ˜110/PKA, is remarkably lower than the value deduced from uncorrected SRIM calculations (˜145/PKA), so that in the studied case SRIM tends to overpredict the total primary damage level.

Observation of H displacement and H2 elimination channels in the reaction of O(3P) with 1-butene from crossed beams and theoretical studies

NASA Astrophysics Data System (ADS)

Caracciolo, Adriana; Vanuzzo, Gianmarco; Balucani, Nadia; Stranges, Domenico; Cavallotti, Carlo; Casavecchia, Piergiorgio

2017-09-01

We report preliminary combined experimental/theoretical results on O(3P) + 1-butene reaction dynamics with focus on atomic hydrogen displacement and molecular hydrogen elimination channels. Dynamics and relative yield of the ethylvinoxy + H and ethylketene + H2 product channels are characterized in crossed beam experiments. Stationary points and energetics of triplet/singlet C4H8O potential energy surfaces (PESs) are calculated at CCSD(T)/CBS and CASPT2 level. O(3P) attack occurs on both unsaturated C-atoms with preference for the less substituted one leading, among other products, to C2H5CHCHO + H via an exit barrier on the triplet PES, and to C2H5CHCO + H2 via a very high exit barrier on the singlet PES following intersystem crossing.

What is the copper thin film thickness effect on thermal properties of NiTi/Cu bi-layer?

NASA Astrophysics Data System (ADS)

Fazeli, Sara; Vahedpour, Morteza; Khatiboleslam Sadrnezhaad, Sayed

2017-02-01

Molecular dynamics (MD) simulation was used to study of thermal properties of NiTi/Cu. Embedded atom method (EAM) potentials for describing of inter-atomic interaction and Nose-Hoover thermostat and barostat are employed. The melting of the bi-layers was considered by studying the temperature dependence of the cohesive energy and mean square displacement. To highlight the differences between bi-layers with various copper layer thickness, the effect of copper film thickness on thermal properties containing the cohesive energy, melting point, isobaric heat capacity and latent heat of fusion was estimated. The results show that thermal properties of bi-layer systems are higher than that of their corresponding of pure NiTi. But, these properties of bi-layer systems approximately are independent of copper film thicknesses. The mean square displacement (MSD) results show that, the diffusion coefficients enhance upon increasing of copper film thickness in a linear performance.

Role of valence changes and nanoscale atomic displacements in BiS2-based superconductors.

PubMed

Cheng, Jie; Zhai, Huifei; Wang, Yu; Xu, Wei; Liu, Shengli; Cao, Guanghan

2016-11-22

Superconductivity within layered crystal structures has attracted sustained interest among condensed matter community, primarily due to their exotic superconducting properties. EuBiS 2 F is a newly discovered member in the BiS 2 -based superconducting family, which shows superconductivity at 0.3 K without extrinsic doping. With 50 at.% Ce substitution for Eu, superconductivity is enhanced with Tc increased up to 2.2 K. However, the mechanisms for the T c enhancement have not yet been elucidated. In this study, the Ce-doping effect on the self-electron-doped superconductor EuBiS 2 F was investigated by X-ray absorption spectroscopy (XAS). We have established a relationship between Ce-doping and the T c enhancement in terms of Eu valence changes and nanoscale atomic displacements. The new finding sheds light on the interplay among superconductivity, charge and local structure in BiS 2 -based superconductors.

Radiation Damage Study in Natural Zircon Using Neutrons Irradiation

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

Lwin, Maung Tin Moe; Amin, Yusoff Mohd.; Kassim, Hasan Abu

2011-03-30

Changes of atomic displacements in crystalline structure of natural zircon (ZrSiO{sub 4}) can be studied by using neutron irradiation on the surface of zircon and compared the data from XRD measurements before and after irradiation. The results of neutron irradiation on natural zircon using Pneumatic Transfer System (PTS) at PUSPATI TRIGA Research Reactor in the Malaysian Nuclear Agency are discussed in this work. The reactor produces maximum thermal power output of 1 MWatt and the neutron flux of up to 1x10{sup 13} ncm{sup -2}s{sup -1}. From serial decay processes of uranium and thorium radionuclides in zircon crystalline structure, the emissionmore » of alpha particles can produce damage in terms of atomic displacements in zircon. Hence, zircon has been extensively studied as a possible candidate for immobilization of fission products and actinides.« less

Primary radiation damage of an FeCr alloy under pressure: Atomistic simulation

NASA Astrophysics Data System (ADS)

Tikhonchev, M. Yu.; Svetukhin, V. V.

2017-05-01

The primary radiation damage of a binary FeCr alloy deformed by applied mechanical loading is studied by an atomistic molecular dynamics simulation. Loading is simulated by specifying an applied pressure of 0.25, 1.0, and 2.5 GPa of both signs. Hydrostatic and uniaxial loading is considered along the [001], [111], [112], and [210] directions. The influence of loading on the energy of point defect formation and the threshold atomic displacement energy in single-component bcc iron is investigated. The 10-keV atomic displacement cascades in a "random" binary Fe-9 at % Cr alloy are simulated at an initial temperature of 300 K. The number of the point defects generated in a cascade is estimated, and the clustering of point defects and the spatial orientation of interstitial configurations are analyzed. Our results agree with the results of other researchers and supplement them.

Design, analysis and testing of a new piezoelectric tool actuator for elliptical vibration turning

NASA Astrophysics Data System (ADS)

Lin, Jieqiong; Han, Jinguo; Lu, Mingming; Yu, Baojun; Gu, Yan

2017-08-01

A new piezoelectric tool actuator (PETA) for elliptical vibration turning has been developed based on a hybrid flexure hinge connection. Two double parallel four-bar linkage mechanisms and two right circular flexure hinges were chosen to guide the motion. The two input displacement directional stiffness were modeled according to the principle of virtual work modeling method and the kinematic analysis was conducted theoretically. Finite element analysis was used to carry out static and dynamic analyses. To evaluate the performance of the developed PETA, off-line experimental tests were carried out to investigate the step responses, motion strokes, resolutions, parasitic motions, and natural frequencies of the PETA along the two input directions. The relationship between input displacement and output displacement, as well as the tool tip’s elliptical trajectory in different phase shifts was analyzed. By using the developed PETA mechanism, micro-dimple patterns were generated as the preliminary application to demonstrate the feasibility and efficiency of PETA for elliptical vibration turning.

Measure of displacement around holes in composite plates subjected to quasi-static compression

NASA Technical Reports Server (NTRS)

Duke, J. C., Jr.; Post, D.; Czarnek, R.; Asundi, A.

1986-01-01

Contour maps of thickness changes were obtained for three quasi-isotropic graphite-epoxy plates with central holes, loaded in compression. Thickness changes were determined for six load increments from nearly zero to within a few percent of the failure load. The largest change of thickness occurred near the hole but not at the boundary of the hole. Below 90 percent of the failure load, the thickness changes were nearly proportional to load. Irregularities of thickness changes occurred in zones of compressive stresses and they were attributed to localized fiber buckling. A new optical technique was developed to measure thickness changes with high sensitivity. It utilizes a comparatively simple means of holographic interferometry on both sides of the specimen, followed by additive moire to obtain thickness changes as the sum of the out-of-plane displacements. Sensitivity was 12.5 x 10 to the -6 power in. per fringe order. The fringe patterns represent thickness changes uniquely, even when specimen warpage and consequent out-of-plane displacements are very large.

Application of Benchmark Examples to Assess the Single and Mixed-Mode Static Delamination Propagation Capabilities in ANSYS

NASA Technical Reports Server (NTRS)

Krueger, Ronald

2012-01-01

The application of benchmark examples for the assessment of quasi-static delamination propagation capabilities is demonstrated for ANSYS. The examples are independent of the analysis software used and allow the assessment of the automated delamination propagation in commercial finite element codes based on the virtual crack closure technique (VCCT). The examples selected are based on two-dimensional finite element models of Double Cantilever Beam (DCB), End-Notched Flexure (ENF), Mixed-Mode Bending (MMB) and Single Leg Bending (SLB) specimens. First, the quasi-static benchmark examples were recreated for each specimen using the current implementation of VCCT in ANSYS . Second, the delamination was allowed to propagate under quasi-static loading from its initial location using the automated procedure implemented in the finite element software. Third, the load-displacement relationship from a propagation analysis and the benchmark results were compared, and good agreement could be achieved by selecting the appropriate input parameters. The benchmarking procedure proved valuable by highlighting the issues associated with choosing the input parameters of the particular implementation. Overall the results are encouraging, but further assessment for three-dimensional solid models is required.

Efficient acceleration of neutral atoms in laser produced plasma

DOE PAGES

Dalui, M.; Trivikram, T. M.; Colgan, James Patrick; ...

2017-06-20

Recent advances in high-intensity laser-produced plasmas have demonstrated their potential as compact charge particle accelerators. Unlike conventional accelerators, transient quasi-static charge separation acceleration fields in laser produced plasmas are highly localized and orders of magnitude larger. Manipulating these ion accelerators, to convert the fast ions to neutral atoms with little change in momentum, transform these to a bright source of MeV atoms. The emittance of the neutral atom beam would be similar to that expected for an ion beam. Since intense laser-produced plasmas have been demonstrated to produce high-brightness-low-emittance beams, it is possible to envisage generation of high-flux, low-emittance, highmore » energy neutral atom beams in length scales of less than a millimeter. Here, we show a scheme where more than 80% of the fast ions are reduced to energetic neutral atoms and demonstrate the feasibility of a high energy neutral atom accelerator that could significantly impact applications in neutral atom lithography and diagnostics.« less

Mechanical design optimization of a single-axis MOEMS accelerometer based on a grating interferometry cavity for ultrahigh sensitivity

NASA Astrophysics Data System (ADS)

Lu, Qianbo; Bai, Jian; Wang, Kaiwei; Lou, Shuqi; Jiao, Xufen; Han, Dandan; Yang, Guoguang

2016-08-01

The ultrahigh static displacement-acceleration sensitivity of a mechanical sensing chip is essential primarily for an ultrasensitive accelerometer. In this paper, an optimal design to implement to a single-axis MOEMS accelerometer consisting of a grating interferometry cavity and a micromachined sensing chip is presented. The micromachined sensing chip is composed of a proof mass along with its mechanical cantilever suspension and substrate. The dimensional parameters of the sensing chip, including the length, width, thickness and position of the cantilevers are evaluated and optimized both analytically and by finite-element-method (FEM) simulation to yield an unprecedented acceleration-displacement sensitivity. Compared with one of the most sensitive single-axis MOEMS accelerometers reported in the literature, the optimal mechanical design can yield a profound sensitivity improvement with an equal footprint area, specifically, 200% improvement in displacement-acceleration sensitivity with moderate resonant frequency and dynamic range. The modified design was microfabricated, packaged with the grating interferometry cavity and tested. The experimental results demonstrate that the MOEMS accelerometer with modified design can achieve the acceleration-displacement sensitivity of about 150μm/g and acceleration sensitivity of greater than 1500V/g, which validates the effectiveness of the optimal design.

Bridging the gap between atomic microstructure and electronic properties of alloys: The case of (In,Ga)N

NASA Astrophysics Data System (ADS)

Chan, J. A.; Liu, J. Z.; Zunger, Alex

2010-07-01

The atomic microstructure of alloys is rarely perfectly random, instead exhibiting differently shaped precipitates, clusters, zigzag chains, etc. While it is expected that such microstructural features will affect the electronic structures (carrier localization and band gaps), theoretical studies have, until now, been restricted to investigate either perfectly random or artificial “guessed” microstructural features. In this paper, we simulate the alloy microstructures in thermodynamic equilibrium using the static Monte Carlo method and study their electronic structures explicitly using a pseudopotential supercell approach. In this way, we can bridge atomic microstructures with their electronic properties. We derive the atomic microstructures of InGaN using (i) density-functional theory total energies of ˜50 ordered structures to construct a (ii) multibody cluster expansion, including strain effects to which we have applied (iii) static Monte Carlo simulations of systems consisting of over 27000 atoms to determine the equilibrium atomic microstructures. We study two types of alloy thermodynamic behavior: (a) under lattice incoherent conditions, the formation enthalpies are positive and thus the alloy system phase-separates below the miscibility-gap temperature TMG , (b) under lattice coherent conditions, the formation enthalpies can be negative and thus the alloy system exhibits ordering tendency. The microstructure is analyzed in terms of structural motifs (e.g., zigzag chains and InnGa4-nN tetrahedral clusters). The corresponding electronic structure, calculated with the empirical pseudopotentials method, is analyzed in terms of band-edge energies and wave-function localization. We find that the disordered alloys have no electronic localization but significant hole localization, while below the miscibility gap under the incoherent conditions, In-rich precipitates lead to strong electron and hole localization and a reduction in the band gap.

Effect of Hybridized Fiber Wrapped Around the Aluminum Tubes on the Crushing Performances

NASA Astrophysics Data System (ADS)

Ismail, A. E.; Noranai, Z.; Mohd Nor, N. H.; Mohd Tobi, A. L.; Ahmad, M. H.

2016-11-01

Nowadays, synthetic fibres for an example glass fibres is frequently used to wrap the metallic tubes in order to increase their load-bearing capacity. Due to environmental considerations and non-biodegradable behaviour, natural fibres or materials are increasingly used to replace synthetic fibres. The use of synthetic fibres can be minimized by combining them with natural fibres. Based on the literature survey, combining both fibres (synthetic and natural) for crushing applications are relatively new and therefore the main work of this paper is to present the crushing performances of hybridized fibres wrapped around the aluminium tubes when subjected to quasi-static crushing forces. Glass fibres are then combined with yarn kenaf fibres according to these volume fractions: 0, 25, 50, 75 and 100%. The hybridized fibres are wrapped around the tubes twice using different orientations [0o/0o], [15°/-15°], [30o/-30o] and [45o/-45o] included empty tubes before they are immersed into polyester resin bath. The composite tubes are then quasi-statically compressed using a constant cross-head displacement of 10mm/min. The force-displacement curves for each tube conditions are recorded automatically and analysed. The relation between hybridized fibbers and fibre orientations with crashworthiness parameters are investigated and discussed associating with their crushing mechanisms.

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.

Puzzling Intergrowth in Cerium Nitridophosphate Unraveled by Joint Venture of Aberration-Corrected Scanning Transmission Electron Microscopy and Synchrotron Diffraction.

PubMed

Kloß, Simon D; Neudert, Lukas; Döblinger, Markus; Nentwig, Markus; Oeckler, Oliver; Schnick, Wolfgang

2017-09-13

Thorough investigation of nitridophosphates has rapidly accelerated through development of new synthesis strategies. Here we used the recently developed high-pressure metathesis to prepare the first rare-earth metal nitridophosphate, Ce 4 Li 3 P 18 N 35 , with a high degree of condensation >1/2. Ce 4 Li 3 P 18 N 35 consists of an unprecedented hexagonal framework of PN 4 tetrahedra and exhibits blue luminescence peaking at 455 nm. Transmission electron microscopy (TEM) revealed two intergrown domains with slight structural and compositional variations. One domain type shows extremely weak superstructure phenomena revealed by atomic-resolution scanning TEM (STEM) and single-crystal diffraction using synchrotron radiation. The corresponding superstructure involves a modulated displacement of Ce atoms in channels of tetrahedra 6-rings. The displacement model was refined in a supercell as well as in an equivalent commensurate (3 + 2)-dimensional description in superspace group P6 3 (α, β, 0)0(-α - β, α, 0)0. In the second domain type, STEM revealed disordered vacancies of the same Ce atoms that were modulated in the first domain type, leading to sum formula Ce 4-0.5x Li 3 P 18 N 35-1.5x O 1.5x (x ≈ 0.72) of the average structure. The examination of these structural intricacies may indicate the detection limit of synchrotron diffraction and TEM. We discuss the occurrence of either Ce displacements or Ce vacancies that induce the incorporation of O as necessary stabilization of the crystal structure.

Hydroxyl migration disorders the surface structure of hydroxyapatite nanoparticles

NASA Astrophysics Data System (ADS)

Cheng, Xiajie; Wu, Hong; Zhang, Li; Ma, Xingtao; Zhang, Xingdong; Yang, Mingli

2017-09-01

The surface structure of nano-hydroxyapatite (HAP) was investigated using a combined simulated annealing and molecular dynamics method. The stationary structures of nano-HAP with 4-7 nm in diameter and annealed under different temperatures were analyzed in terms of pair distribution function, structural factor, mean square displacement and atomic coordination number. The particles possess different structures from bulk crystal. A clear radial change in their atomic arrangements was noted. From core to surface the structures change from ordered to disordered. A three-shell model was proposed to describe the structure evolution of nano-HAP. Atoms in the core zone keep their arrangements as in crystal, while atoms in the surface shell are in short-range order and long-range disorder, adopting a typically amorphous structure. Atoms in the middle shell have small displacements and/or deflections but basically retain their original locations as in crystal. The disordered shell is about 1 nm in thickness, in agreement with experimental observations. The disordering mainly stems from hydroxyl migration during which hydroxyls move to the surface and bond with the exposed Ca ions, and their left vacancies bring about a rearrangement of nearby atoms. The disordering is to some extent different for particles unannealed under different temperatures, resulting from fewer number of migrated hydroxyls at lower temperatures. Particles with different sizes have similar surface structures, and their surface energy decreases with increasing size. Moreover, the surface energy is reduced by hydroxyl migration because the exposed Ca ions on the surface are ionically bonded with the migrated hydroxyls. Our calculations proposed a new structure model for nano-HAP, which indicates a surface structure with activities different from those without surface reorganization. This is particularly interesting because most bioactivities of biomaterials are dominated by their surface activity.

Structural properties and diffusion processes of the Cu 3Au (0 0 1) surface

NASA Astrophysics Data System (ADS)

Wang, Fang; Zhang, Jian-Min; Zhang, Yan; Ji, Vincent

2010-09-01

The surface relaxation and surface energy of both the mixed AuCu and pure Cu terminated Cu 3Au (0 0 1) surfaces are simulated and calculated by using the modified analytical embedded-atom method. We find that the mixed AuCu termination is energetically preferred over the pure Cu termination thereby the mono-vacancy diffusion is also investigated in the topmost few layers of the mixed AuCu terminated Cu 3Au (0 0 1) surface. In the mixed AuCu terminated surface the relaxed Au atoms are raised above Cu atoms for 0.13 Å in the topmost layer. All the surface atoms displace outwards, this effect occurs in the first three layers and changes the first two inter-layer spacing. For mono-vacancy migration in the first layer, the migration energies of Au and Cu mono-vacancy via two-type in-plane displace: the nearest neighbor jump (NNJ) and the second nearest neighbor jump (2NNJ), are calculated and the results show that the NNJ requires a much lower energy than 2NNJ. For the evolution of the energy requirements for successive nearest neighbor jumps (SNNJ) along three different paths: circularity, zigzag and beeline, we find that the circularity path is preferred over the other two paths due to its minimum energy barriers and final energies. In the second layer, the NN jumps in intra- and inter-layer of the Cu mono-vacancy are investigated. The calculated energy barriers and final energies show that the vacancy prefer jump up to a proximate Cu site. This replacement between the Cu vacancy in the second layer and Cu atom in the first layer is remunerative for the Au atoms enrichment in the topmost layer.

The origin of the superstructure in Bi2Sr2CaCu2O(8+delta) as revealed by scanning tunneling microscopy

NASA Astrophysics Data System (ADS)

Kirk, M. D.; Nogami, J.; Baski, A. A.; Mitzi, D. B.; Kapitulnik, A.

1988-12-01

Real-space images with atomic resolution of the BiO plane of Bi2Sr2CaCu2O(8+delta) were obtained with a scanning tunneling microscope. Single-crystal samples were cleaved and imaged under ultrahigh vacuum conditions at room temperature. The images clearly show the one-dimensional incommensurate superstructure along the b-axis that is common to this phase. High-resolution images show the position of the Bi atoms, revelaing the structural nature of the superlattice. A missing row of Bi atoms occurs either every nine or ten atomic sites in both 110-line directions, accounting for the measured incommensurate periodicity of the superstructure. A model is proposed that includes missing rows of atoms, as well as displacements of the atomic positions along both the a- and c-axis directions.

The Origin of the Superstructure in Bi2Sr2CaCu2O8+dgr as Revealed by Scanning Tunneling Microscopy.

PubMed

Kirk, M D; Nogami, J; Baski, A A; Mitzi, D B; Kapitulnik, A; Geballe, T H; Quate, C F

1988-12-23

Real-space images with atomic resolution of the BiO plane of Bi(2)Sr(2)CaCu(2)O(8+delta) were obtained with a scanning tunneling microscope. Single-crystal samples were cleaved and imaged under ultrahigh vacuum conditions at room temperature. The images clearly show the one-dimensional incommensurate superstructure along the b-axis that is common to this phase. High-resolution images show the position of the Bi atoms, revealing the structural nature of the superlattice. A missing row of Bi atoms occurs either every nine or ten atomic sites in both (110) directions, accounting for the measured incommensurate periodicity of the superstructure. A model is proposed that includes missing rows of atoms, as well as displacements of the atomic positions along both the a- and c-axis directions.

Three-dimensional evaluation of cyclic displacement in single-row and double-row rotator cuff reconstructions under static external rotation.

PubMed

Lorbach, Olaf; Kieb, Matthias; Raber, Florian; Busch, Lüder C; Kohn, Dieter M; Pape, Dietrich

2013-01-01

The double-row suture bridge repair was recently introduced and has demonstrated superior biomechanical results and higher yield load compared with the traditional double-row technique. It therefore seemed reasonable to compare this second generation of double-row constructs to the modified single-row double mattress reconstruction. The repair technique, initial tear size, and tendon subregion will have a significant effect on 3-dimensional (3D) cyclic displacement under additional static external rotation of a modified single-row compared with a double-row rotator cuff repair. Controlled laboratory study. Rotator cuff tears (small to medium: 25 mm; medium to large: 35 mm) were created in 24 human cadaveric shoulders. Rotator cuff repairs were performed as modified single-row or double-row repairs, and cyclic loading (10-60 N, 10-100 N) was applied under 20° of external rotation. Radiostereometric analysis was used to calculate cyclic displacement in the anteroposterior (x), craniocaudal (y), and mediolateral (z) planes with a focus on the repair constructs and the initial tear size. Moreover, differences in cyclic displacement of the anterior compared with the posterior tendon subregions were calculated. Significantly lower cyclic displacement was seen in small to medium tears for the single-row compared with double-row repair at 60 and 100 N in the x plane (P = .001) and y plane (P = .001). The results were similar in medium to large tears at 100 N in the x plane (P = .004). Comparison of 25-mm versus 35-mm tears did not show any statistically significant differences for the single-row repairs. In the double-row repairs, lower gap formation was found for the 35-mm tears (P ≤ .05). Comparison of the anterior versus posterior tendon subregions revealed a trend toward higher anterior gap formation, although this was statistically not significant. The tested single-row reconstruction achieved superior results in 3D cyclic displacement to the tested double-row repair. Extension of the initial rupture size did not have a negative effect on the biomechanical results of the tested constructs. Single-row repairs with modified suture configurations provide comparable biomechanical strength to double-row repairs. Furthermore, as increased gap formation in the early postoperative period might lead to failure of the construct, a strong anterior fixation and restricted external rotation protocol might be considered in rotator cuff repairs to avoid this problem.

The Acute Effects of Static and Cyclic Stretching on Muscle Stiffness and Hardness of Medial Gastrocnemius Muscle.

PubMed

Maeda, Noriaki; Urabe, Yukio; Tsutsumi, Shogo; Sakai, Shogo; Fujishita, Hironori; Kobayashi, Toshiki; Asaeda, Makoto; Hirata, Kazuhiko; Mikami, Yukio; Kimura, Hiroaki

2017-12-01

This study aimed to clarify the acute effects of static stretching (SS) and cyclic stretching (CS) on muscle stiffness and hardness of the medial gastrocnemius muscle (MG) by using ultrasonography, range of motion (ROM) of the ankle joint and ankle plantar flexor. Twenty healthy men participated in this study. Participants were randomly assigned to SS, CS and control conditions. Each session consisted of a standard 5-minute cycle warm-up, accompanied by one of the subsequent conditions in another day: (a) 2 minutes static stretching, (b) 2 minutes cyclic stretching, (c) control. Maximum ankle dorsiflexion range of motion (ROM max) and normalized peak torque (NPT) of ankle plantar flexor were measured in the pre- and post-stretching. To assess muscle stiffness, muscle-tendon junction (MTJ) displacement (the length changes in tendon and muscle) and MTJ angle (the angle made by the tendon of insertion and muscle fascicle) of MG were measured using ultrasonography at an ankle dorsiflexion angle of -10°, 0°, 10° and 20° before and after SS and CS for 2 minutes in the pre- and post-stretching. MG hardness was measured using ultrasound real-time tissue elastography (RTE). The results of this study indicate a significant effect of SS for ROM maximum, MTJ angle (0°, 10°, 20°) and RTE (10°, 20°) compared with CS (p < 0.05). There were no significant differences in MTJ displacement between SS and CS. CS was associated with significantly higher NPT values than SS. This study suggests that SS of 2 minutes' hold duration significantly affected muscle stiffness and hardness compared with CS. In addition, CS may contribute to the elongation of muscle tissue and increased muscle strength.

Design of bridges against large tectonic deformation

NASA Astrophysics Data System (ADS)

Anastasopoulos, I.; Gazetas, G.; Drosos, V.; Georgarakos, T.; Kourkoulis, R.

2008-12-01

The engineering community has devoted much effort to understanding the response of soil-structure systems to seismic ground motions, but little attention to the effects of an outcropping fault offset. The 1999 earthquakes of Turkey and Taiwan, offering a variety of case histories of structural damage due to faulting, have (re)fueled the interest on the subject. This paper presents a methodology for design of bridges against tectonic deformation. The problem is decoupled in two analysis steps: the first (at the local level) deals with the response of a single pier and its foundation to fault rupture propagating through the soil, and the superstructure is modeled in a simplified manner; and the second (at the global level) investigates detailed models of the superstructure subjected to the support (differential) displacements of Step 1. A parametric study investigates typical models of viaduct and overpass bridges, founded on piles or caissons. Fixed-head piled foundations are shown to be rather vulnerable to faulting-induced deformation. End-bearing piles in particular are unable to survive bedrock offsets exceeding 10 cm. Floating piles perform better, and if combined with hinged pile-to-cap connections, they could survive much larger offsets. Soil resilience is beneficial in reducing pile distress. Caisson foundations are almost invariably successful. Statically-indeterminate superstructures are quite vulnerable, while statically-determinate are insensitive (allowing differential displacements and rotations without suffering any distress). For large-span cantilever-construction bridges, where a statically determinate system is hardly an option, inserting resilient seismic isolation bearings is advantageous as long as ample seating can prevent the deck from falling off the supports. An actual application of the developed method is presented for a major bridge, demonstrating the feasibility of design against tectonic deformation.

Finite element model predictions of static deformation from dislocation sources in a subduction zone: Sensitivities to homogeneous, isotropic, Poisson-solid, and half-space assumptions

USGS Publications Warehouse

Masterlark, Timothy

2003-01-01

Dislocation models can simulate static deformation caused by slip along a fault. These models usually take the form of a dislocation embedded in a homogeneous, isotropic, Poisson-solid half-space (HIPSHS). However, the widely accepted HIPSHS assumptions poorly approximate subduction zone systems of converging oceanic and continental crust. This study uses three-dimensional finite element models (FEMs) that allow for any combination (including none) of the HIPSHS assumptions to compute synthetic Green's functions for displacement. Using the 1995 Mw = 8.0 Jalisco-Colima, Mexico, subduction zone earthquake and associated measurements from a nearby GPS array as an example, FEM-generated synthetic Green's functions are combined with standard linear inverse methods to estimate dislocation distributions along the subduction interface. Loading a forward HIPSHS model with dislocation distributions, estimated from FEMs that sequentially relax the HIPSHS assumptions, yields the sensitivity of predicted displacements to each of the HIPSHS assumptions. For the subduction zone models tested and the specific field situation considered, sensitivities to the individual Poisson-solid, isotropy, and homogeneity assumptions can be substantially greater than GPS. measurement uncertainties. Forward modeling quantifies stress coupling between the Mw = 8.0 earthquake and a nearby Mw = 6.3 earthquake that occurred 63 days later. Coulomb stress changes predicted from static HIPSHS models cannot account for the 63-day lag time between events. Alternatively, an FEM that includes a poroelastic oceanic crust, which allows for postseismic pore fluid pressure recovery, can account for the lag time. The pore fluid pressure recovery rate puts an upper limit of 10-17 m2 on the bulk permeability of the oceanic crust. Copyright 2003 by the American Geophysical Union.

Single-crystal growth, structure refinement and the properties of Bis(glycine) Strontium Chloride

NASA Astrophysics Data System (ADS)

Balaji, S. R.; Balu, T.; Rajasekaran, T. R.

2018-02-01

Single crystals of Bis (glycine) Strontium Chloride (BGSC) were grown by means of slow evaporation process by using analar grade Glycine and Strontium Chloride Hexahydrate as a parent compound from its aqueous solution at room temperature. The final chemical composition, [{{Sr}}{({{{C}}}2{{{H}}}5{{{NO}}}2)}2{{{Cl}}}2].{{{H}}}4{{{O}}}3+{{{H}}}8{{{O}}}3, formed were metallic light colorless block, about the size of 28 mm × 9 mm × 8 mm. A single-crystal x-ray diffraction study revealed an ordered superstructure with orthorhombic symmetry that could be assigned to the space group Pbcn. The structure in BGSC, revealed in the electron density distribution was analyzed by the direct methods (SHELXS-2014) and refined by least squares full matrix method (SHELXL-2014). The crystal structure, including anisotropic atomic displacement parameters for each atom and isotropic atomic displacement parameters for hydrogen atom, was refined to R1 = 0.0395, wR2 = 0.0776 using 1097 independent reflections. The FTIR spectrum of BGSC confirms the protonation of amino groups and the different molecular groups present in BGSC vibrate in different modes. Reverse Indentation Size Effect (RISE) was revealed in BGSC in the micro-hardness analysis using Vicker’s micro-hardness analysis. DTA and DSC results ruled out the possibility of structural change independent of mass change. The AFM studies shows fine nano size fiber like structure of the grown crystals.

Rydberg wave packets in static electric fields initiated with far infrared pulses

NASA Astrophysics Data System (ADS)

Robicheaux, F.; Lankhuijzen, G. M.; Rella, C.; Noordam, L. D.

1998-05-01

We perform experimental and theoretical studies of transitions from bound atomic Rydberg Stark states in a static electric field to autoionizing states. The transitions are induced by a broadband, tunable free electron laser pulse (1-5 ps width). The systematics of the wave packet properties are investigated when the initial state is the lowest energy state or highest energy state of the n-manifold. We show that the recently proposed electron gun is realized for Rb giving an AC electron current with a 20 ps period.

Static and Dynamic Analysis in Design of Exoskeleton Structure

NASA Astrophysics Data System (ADS)

Ivánkova, Ol'ga; Méri, Dávid; Vojteková, Eva

2017-10-01

This paper introduces a numerical experiment of creating the load bearing system of a high rise building. When designing the high-rise building, it is always an important task to find the right proportion between the height of the building and its perceptive width from the various angles of street view. Investigated high rise building in this article was designed according to these criteria. The load bearing structure of the analysed object consists of a reinforced core, plates and steel tubes of an exoskeleton. Eight models of the building were created using the spatial variant of FEM in Scia Engineer Software. Individual models varied in number and dimensions of diagrids in the exoskeleton. In the models, loadings due to the own weight, weight of external glass cladding, and due to the wind according to the Standard, have been considered. The building was loaded by wind load from all four main directions with respect to its shape. Wind load was calculated using the 3D wind generator, which is a part of the Scia Engineer Software. For each model the static analysis was performed. Its most important criterion was the maximum or minimum horizontal displacement (rotation) of the highest point of the building. This displacement was compared with the limit values of the displacement of the analysed high-rise building. By step-by-step adding diagrids and optimizing their dimensions the building model was obtained that complied with the criteria of the Limit Serviceability State. The last model building was assessed also for the Ultimate Limit State. This model was loaded also by seismic loads for comparison with the load due to the wind.

Revisiting the Cramér Rao Lower Bound for Elastography: Predicting the Performance of Axial, Lateral and Polar Strain Elastograms.

PubMed

Verma, Prashant; Doyley, Marvin M

2017-09-01

We derived the Cramér Rao lower bound for 2-D estimators employed in quasi-static elastography. To illustrate the theory, we modeled the 2-D point spread function as a sinc-modulated sine pulse in the axial direction and as a sinc function in the lateral direction. We compared theoretical predictions of the variance incurred in displacements and strains when quasi-static elastography was performed under varying conditions (different scanning methods, different configuration of conventional linear array imaging and different-size kernels) with those measured from simulated or experimentally acquired data. We performed studies to illustrate the application of the derived expressions when performing vascular elastography with plane wave and compounded plane wave imaging. Standard deviations in lateral displacements were an order higher than those in axial. Additionally, the derived expressions predicted that peak performance should occur when 2% strain is applied, the same order of magnitude as observed in simulations (1%) and experiments (1%-2%). We assessed how different configurations of conventional linear array imaging (number of active reception and transmission elements) influenced the quality of axial and lateral strain elastograms. The theoretical expressions predicted that 2-D echo tracking should be performed with wide kernels, but the length of the kernels should be selected using knowledge of the magnitude of the applied strain: specifically, longer kernels for small strains (<5%) and shorter kernels for larger strains. Although the general trends of theoretical predictions and experimental observations were similar, biases incurred during beamforming and subsample displacement estimation produced noticeable differences. Copyright © 2017 World Federation for Ultrasound in Medicine & Biology. Published by Elsevier Inc. All rights reserved.

Ion irradiation-induced crystal structure changes in inverse spinel MgIn 2O 4

DOE PAGES

Tang, Ming; Valdez, James A.; Wang, Yongqiang; ...

2016-07-29

We performed 400 keV Ne and 200 keV He ion irradiations on fully inverse MgIn 2O 4 samples at cryogenic temperature (~ 77 K), in order to examine the influence of radiation-induced cation disordering on crystal structure. In the case of MgIn 2O 4 samples irradiated with Ne ions to a peak displacement damage dose of 4 displacements per atom (dpa), a spinel-to-rocksalt phase transformation was observed. Conversely, for MgIn 2O 4 samples irradiated with He ions to a peak displacement damage dose of 5 dpa, the only observed structural effect involved cation rearrangements from an inverse to a “random”more » spinel structure.« less

Large Deformation Dynamic Bending of Composite Beams

NASA Technical Reports Server (NTRS)

Derian, E. J.; Hyer, M. W.

1986-01-01

Studies were conducted on the large deformation response of composite beams subjected to a dynamic axial load. The beams were loaded with a moderate eccentricity to promote bending. The study was primarily experimental but some finite element results were obtained. Both the deformation and the failure of the beams were of interest. The static response of the beams was also studied to determine potential differences between the static and dynamic failure. Twelve different laminate types were tested. The beams tested were 23 in. by 2 in. and generally 30 plies thick. The beams were loaded dynamically with a gravity-driven impactor traveling at 19.6 ft/sec and quasi-static tests were conducted on identical beams in a displacement controlled manner. For laminates of practical interest, the failure modes under static and dynamic loadings were identical. Failure in most of the laminate types occurred in a single event involving 40% to 50% of the plies. However, failure in laminates with 300 or 150 off-axis plies occurred in several events. All laminates exhibited bimodular elastic properties. The compressive flexural moduli in some laminates was measured to be 1/2 the tensile flexural modulus. No simple relationship could be found among the measured ultimate failure strains of the different laminate types. Using empirically determined flexural properties, a finite element analysis was reasonably accurate in predicting the static and dynamic deformation response.

Absolute flux measurements for swift atoms

NASA Technical Reports Server (NTRS)

Fink, M.; Kohl, D. A.; Keto, J. W.; Antoniewicz, P.

1987-01-01

While a torsion balance in vacuum can easily measure the momentum transfer from a gas beam impinging on a surface attached to the balance, this measurement depends on the accommodation coefficients of the atoms with the surface and the distribution of the recoil. A torsion balance is described for making absolute flux measurements independent of recoil effects. The torsion balance is a conventional taut suspension wire design and the Young modulus of the wire determines the relationship between the displacement and the applied torque. A compensating magnetic field is applied to maintain zero displacement and provide critical damping. The unique feature is to couple the impinging gas beam to the torsion balance via a Wood's horn, i.e., a thin wall tube with a gradual 90 deg bend. Just as light is trapped in a Wood's horn by specular reflection from the curved surfaces, the gas beam diffuses through the tube. Instead of trapping the beam, the end of the tube is open so that the atoms exit the tube at 90 deg to their original direction. Therefore, all of the forward momentum of the gas beam is transferred to the torsion balance independent of the angle of reflection from the surfaces inside the tube.

Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics

DOE PAGES

Usher, Tedi -Marie; Levin, Igor; Daniels, John E.; ...

2015-10-01

In this study, the atomic-scale response of dielectrics/ferroelectrics to electric fields is central to their functionality. Here we introduce an in situ characterization method that reveals changes in the local atomic structure in polycrystalline materials under fields. The method employs atomic pair distribution functions (PDFs), determined from X-ray total scattering that depends on orientation relative to the applied field, to probe structural changes over length scales from sub-Ångstrom to several nanometres. The PDF is sensitive to local ionic displacements and their short-range order, a key uniqueness relative to other techniques. The method is applied to representative ferroelectrics, BaTiO 3 andmore » Na ½Bi ½TiO 3, and dielectric SrTiO 3. For Na ½Bi ½TiO 3, the results reveal an abrupt field-induced monoclinic to rhombohedral phase transition, accompanied by ordering of the local Bi displacements and reorientation of the nanoscale ferroelectric domains. For BaTiO 3 and SrTiO 3, the local/nanoscale structural changes observed in the PDFs are dominated by piezoelectric lattice strain and ionic polarizability, respectively.« less

Elastic interaction of hydrogen atoms on graphene: A multiscale approach from first principles to continuum elasticity

NASA Astrophysics Data System (ADS)

Branicio, Paulo S.; Vastola, Guglielmo; Jhon, Mark H.; Sullivan, Michael B.; Shenoy, Vivek B.; Srolovitz, David J.

2016-10-01

The deformation of graphene due to the chemisorption of hydrogen atoms on its surface and the long-range elastic interaction between hydrogen atoms induced by these deformations are investigated using a multiscale approach based on first principles, empirical interactions, and continuum modeling. Focus is given to the intrinsic low-temperature structure and interactions. Therefore, all calculations are performed at T =0 , neglecting possible temperature or thermal fluctuation effects. Results from different methods agree well and consistently describe the local deformation of graphene on multiple length scales reaching 500 Å . The results indicate that the elastic interaction mediated by this deformation is significant and depends on the deformation of the graphene sheet both in and out of plane. Surprisingly, despite the isotropic elasticity of graphene, within the linear elastic regime, atoms elastically attract or repel each other depending on (i) the specific site they are chemisorbed; (ii) the relative position of the sites; (iii) and if they are on the same or on opposite surface sides. The interaction energy sign and power-law decay calculated from molecular statics agree well with theoretical predictions from linear elasticity theory, considering in-plane or out-of-plane deformations as a superposition or in a coupled nonlinear approach. Deviations on the exact power law between molecular statics and the linear elastic analysis are evidence of the importance of nonlinear effects on the elasticity of monolayer graphene. These results have implications for the understanding of the generation of clusters and regular formations of hydrogen and other chemisorbed atoms on graphene.

Anomalous diffusion in a dynamical optical lattice

NASA Astrophysics Data System (ADS)

Zheng, Wei; Cooper, Nigel R.

2018-02-01

Motivated by experimental progress in strongly coupled atom-photon systems in optical cavities, we study theoretically the quantum dynamics of atoms coupled to a one-dimensional dynamical optical lattice. The dynamical lattice is chosen to have a period that is incommensurate with that of an underlying static lattice, leading to a dynamical version of the Aubry-André model which can cause localization of single-particle wave functions. We show that atomic wave packets in this dynamical lattice generically spread via anomalous diffusion, which can be tuned between superdiffusive and subdiffusive regimes. This anomalous diffusion arises from an interplay between Anderson localization and quantum fluctuations of the cavity field.

Monitoring of Bridges by a Laser Pointer: Dynamic Measurement of Support Rotations and Elastic Line Displacements: Methodology and First Test

PubMed Central

Artese, Serena; Achilli, Vladimiro; Zinno, Raffaele

2018-01-01

Deck inclination and vertical displacements are among the most important technical parameters to evaluate the health status of a bridge and to verify its bearing capacity. Several methods, both conventional and innovative, are used for structural rotations and displacement monitoring; however, none of these allow, at the same time, precision, automation, static and dynamic monitoring without using high cost instrumentation. The proposed system uses a common laser pointer and image processing. The elastic line inclination is measured by analyzing the single frames of an HD video of the laser beam imprint projected on a flat target. For the image processing, a code was developed in Matlab® that provides instantaneous rotation and displacement of a bridge, charged by a mobile load. An important feature is the synchronization of the load positioning, obtained by a GNSS receiver or by a video. After the calibration procedures, a test was carried out during the movements of a heavy truck maneuvering on a bridge. Data acquisition synchronization allowed us to relate the position of the truck on the deck to inclination and displacements. The inclination of the elastic line at the support was obtained with a precision of 0.01 mrad. The results demonstrate the suitability of the method for dynamic load tests, and the control and monitoring of bridges. PMID:29370082

An improved plate theory of order (1,2) for thick composite laminates

NASA Technical Reports Server (NTRS)

Tessler, A.

1992-01-01

A new (1,2)-order theory is proposed for the linear elasto-static analysis of laminated composite plates. The basic assumptions are those concerning the distribution through the laminate thickness of the displacements, transverse shear strains and the transverse normal stress, with these quantities regarded as some weighted averages of their exact elasticity theory representations. The displacement expansions are linear for the inplane components and quadratic for the transverse component, whereas the transverse shear strains and transverse normal stress are respectively quadratic and cubic through the thickness. The main distinguishing feature of the theory is that all strain and stress components are expressed in terms of the assumed displacements prior to the application of a variational principle. This is accomplished by an a priori least-square compatibility requirement for the transverse strains and by requiring exact stress boundary conditions at the top and bottom plate surfaces. Equations of equilibrium and associated Poisson boundary conditions are derived from the virtual work principle. It is shown that the theory is particularly suited for finite element discretization as it requires simple C(sup 0)- and C(sup -1)-continuous displacement interpolation fields. Analytic solutions for the problem of cylindrical bending are derived and compared with the exact elasticity solutions and those of our earlier (1,2)-order theory based on the assumed displacements and transverse strains.

Finite element analysis of smart reinforced concrete beam with super elastic shape memory alloy subjected to static loading for seismic mitigation

NASA Astrophysics Data System (ADS)

Hamid, Nubailah Abd; Ismail, Muhammad Hussain; Ibrahim, Azmi; Adnan, Azlan

2018-05-01

Reinforced concrete beam has been among major applications in construction nowadays. However, the application of nickel titanium alloy as a replacement for steel rebar in reinforced concrete beam is a new approach nowadays despite of their ability to undergo large deformations and return to their undeformed shape by removal of stresses. In this paper, the response of simply supported reinforced concrete (RC) beams with smart rebars, control beam subjected to static load has been numerically studied, and highlighted, using finite element method (FEM) where the material employed in this study is the superelastic shape memory alloys (SESMA). The SESMA is a unique alloy that has the ability to undergo large deformations and return to their undeformed shape by removal of stresses. The size of the analysed beam is 125 mm × 270 mm × 2800 mm with 2 numbers of 12 mm diameter bars as main reinforcement for compression and 12 numbers of 12 as tension or hanger bars while 6 mm diameter at 100 mm c/c used as shear reinforcement bars respectively. The concrete was modelled using solid 65 element (in ANSYS) and rebars were modelled using beam 188 elements (in ANSYS). The result for reinforced concrete with nickel titanium alloy rebar is compared with the result obtained for reinforced concrete beam with steel rebar in term of flexural behavior, load displacement relationship, crack behaviour and failure modes for various loading conditions starting from 10kN to 100kN using 3D FE modelling in ANSYS v 15. The response and result obtained from the 3D finite element analysis used in this study is load-displacement curves, residual displacements, Von-Misses, strain and stiffness are suitable for the corresponding result showed a satisfactory performance in the structural analysis. Resultant displacement, Von-Mises stress and maximum strain were influenced by the factors of the material properties, load increments and the mesh size. Nickel titanium alloy was superior to the conventional steel at limiting residual displacements and crack formation in the concrete beams and this ability makes this smart structure special to maintain their serviceability even after a strong earthquake for seismic mitigation.

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

Caliandro, Rocco; Sibillano, Teresa; Belviso, B. Danilo

In this study, we have developed a general X-ray powder diffraction (XPD) methodology for the simultaneous structural and compositional characterization of inorganic nanomaterials. The approach is validated on colloidal tungsten oxide nanocrystals (WO 3-x NCs), as a model polymorphic nanoscale material system. Rod-shaped WO 3-x NCs with different crystal structure and stoichiometry are comparatively investigated under an inert atmosphere and after prolonged air exposure. An initial structural model for the as-synthesized NCs is preliminarily identified by means of Rietveld analysis against several reference crystal phases, followed by atomic pair distribution function (PDF) refinement of the best-matching candidates (static analysis). Subtlemore » stoichiometry deviations from the corresponding bulk standards are revealed. NCs exposed to air at room temperature are monitored by XPD measurements at scheduled time intervals. The static PDF analysis is complemented with an investigation into the evolution of the WO 3-x NC structure, performed by applying the modulation enhanced diffraction technique to the whole time series of XPD profiles (dynamical analysis). Prolonged contact with ambient air is found to cause an appreciable increase in the static disorder of the O atoms in the WO 3-x NC lattice, rather than a variation in stoichiometry. Finally, the time behavior of such structural change is identified on the basis of multivariate analysis.« less

Controlling chaos-assisted directed transport via quantum resonance.

PubMed

Tan, Jintao; Zou, Mingliang; Luo, Yunrong; Hai, Wenhua

2016-06-01

We report on the first demonstration of chaos-assisted directed transport of a quantum particle held in an amplitude-modulated and tilted optical lattice, through a resonance-induced double-mean displacement relating to the true classically chaotic orbits. The transport velocity is controlled by the driving amplitude and the sign of tilt, and also depends on the phase of the initial state. The chaos-assisted transport feature can be verified experimentally by using a source of single atoms to detect the double-mean displacement one by one, and can be extended to different scientific fields.

Controlling chaos-assisted directed transport via quantum resonance

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

Tan, Jintao; Zou, Mingliang; Luo, Yunrong

2016-06-15

We report on the first demonstration of chaos-assisted directed transport of a quantum particle held in an amplitude-modulated and tilted optical lattice, through a resonance-induced double-mean displacement relating to the true classically chaotic orbits. The transport velocity is controlled by the driving amplitude and the sign of tilt, and also depends on the phase of the initial state. The chaos-assisted transport feature can be verified experimentally by using a source of single atoms to detect the double-mean displacement one by one, and can be extended to different scientific fields.

An atomic finite element model for biodegradable polymers. Part 1. Formulation of the finite elements.

PubMed

Gleadall, Andrew; Pan, Jingzhe; Ding, Lifeng; Kruft, Marc-Anton; Curcó, David

2015-11-01

Molecular dynamics (MD) simulations are widely used to analyse materials at the atomic scale. However, MD has high computational demands, which may inhibit its use for simulations of structures involving large numbers of atoms such as amorphous polymer structures. An atomic-scale finite element method (AFEM) is presented in this study with significantly lower computational demands than MD. Due to the reduced computational demands, AFEM is suitable for the analysis of Young's modulus of amorphous polymer structures. This is of particular interest when studying the degradation of bioresorbable polymers, which is the topic of an accompanying paper. AFEM is derived from the inter-atomic potential energy functions of an MD force field. The nonlinear MD functions were adapted to enable static linear analysis. Finite element formulations were derived to represent interatomic potential energy functions between two, three and four atoms. Validation of the AFEM was conducted through its application to atomic structures for crystalline and amorphous poly(lactide). Copyright © 2015 Elsevier Ltd. All rights reserved.

Radiative process of two entanglement atoms in de Sitter spacetime

NASA Astrophysics Data System (ADS)

Liu, Xiaobao; Tian, Zehua; Wang, Jieci; Jing, Jiliang

2018-05-01

We investigate the radiative processes of a quantum system composed by two identical two-level atoms in the de Sitter spacetime, interacting with a conformally coupled massless scalar field prepared in the de Sitter-invariant vacuum. We discuss the structure of the rate of variations of the atomic energy for two static atoms. Following a procedure developed by Dalibard, Dupont-Roc, and Cohen-Tannoudji, our intention is to identify in a quantitative way the contributions of vacuum fluctuations and the radiation reaction to the generation of quantum entanglement and to the degradation of entangled states. We find that when the distance between two atoms larger than the characteristic length scale, the rate of variation of atomic energy in the de Sitter-invariant vacuum behaves differently compared with that in the thermal Minkowski spacetime. In particular, the generation and degradation of quantum entanglement can be enhanced or inhibited, which are dependent not only on the specific entangled state but also on the distance between the atoms.

FAST TRACK COMMUNICATION Determination of atomic site susceptibility tensors from neutron diffraction data on polycrystalline samples

NASA Astrophysics Data System (ADS)

Gukasov, A.; Brown, P. J.

2010-12-01

Polarized neutron diffraction can provide information about the atomic site susceptibility tensor χij characterizing the magnetic response of individual atoms to an external magnetic field (Gukasov and Brown 2002 J. Phys.: Condens. Mater. 14 8831). The six independent atomic susceptibility parameters (ASPs) can be determined from polarized neutron flipping ratio measurements on single crystals and visualized as magnetic ellipsoids which are analogous to the thermal ellipsoids obtained from atomic displacement parameters (ADPs). We demonstrate now that the information about local magnetic susceptibility at different magnetic sites in a crystal can also be obtained from polarized and unpolarized neutron diffraction measurements on magnetized powder samples. The validity of the method is illustrated by the results of such measurements on a polycrystalline sample of Tb2Sn2O7.

Atomic steps on an ultraflat Si(111) surface upon sublimation

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

Sitnikov, S. V., E-mail: sitnikov@isp.nsc.ru; Latyshev, A. V.; Kosolobov, S. S.

2016-05-15

The kinetics of atomic steps on an ultraflat Si(111) surface is studied by in situ ultrahigh-vacuum reflection electron microscopy at temperatures of 1050–1350°C. For the first time it is experimentally shown that the rate of displacement of an atomic step during sublimation nonlinearly depends on the width of the adjacent terrace. It is established that the atomic mechanism of mass-transport processes at the surface at temperatures higher than 1200°C is controlled by nucleation and the diffusion of surface vacancies rather than of adsorbed Si atoms. The studies make it possible to estimate the activation energy of the dissolution of vacanciesmore » from the surface into the bulk of Si. The estimated activation energy is (4.3 ± 0.05) eV.« less

Effect of Static Strains on Diffusion

NASA Technical Reports Server (NTRS)

Girifalco, L. A.; Grimes, H. H.

1961-01-01

A theory is developed that gives the diffusion coefficient in strained systems as an exponential function of the strain. This theory starts with the statistical theory of the atomic jump frequency as developed by Vineyard. The parameter determining the effect of strain on diffusion is related to the changes in the inter-atomic forces with strain. Comparison of the theory with published experimental results for the effect of pressure on diffusion shows that the experiments agree with the form of the theoretical equation in all cases within experimental error.

Storage rings for spin-polarized hydrogen

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

Thompson, D.; Lovelace, R.V.E.; Lee, D.

1989-11-01

A strong-focusing storage ring is proposed for the long-term magnetic confinement of a collisional gas of neutral spin-polarized hydrogen atoms in the Za{l arrow} and Zb{l arrow} hyperfine states. The trap uses the interaction of the magnetic moments of the gas atoms with a static magnetic field. Laser cooling and evaporative cooling can be utilized to enhance the confinement and to offset the influence of viscous heating. An important application of the trap is to the attainment of Bose--Einstein condensation.

Oxygen-storage behavior and local structure in Ti-substituted YMnO{sub 3}

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

Levin, I., E-mail: igor.levin@nist.gov; Krayzman, V.; Vanderah, T.A.

Hexagonal manganates RMnO{sub 3} (R=Y, Ho, Dy) have been recently shown to exhibit oxygen-storage capacities promising for three-way catalysts, air-separation, and related technologies. Here, we demonstrate that Ti substitution for Mn can be used to chemically tune the oxygen-breathing properties of these materials towards practical applications. Specifically, Y(Mn{sub 1−x}Ti{sub x})O{sub 3} solid solutions exhibit facile oxygen absorption/desorption via reversible Ti{sup 3+}↔Ti{sup 4+} and Mn{sup 3+}↔Mn{sup 4+} reactions already in ambient air at ≈400 °C and ≈250 °C, respectively. On cooling, the oxidation of both cations is accompanied by oxygen uptake yielding a formula YMn{sup 3+}{sub 1−x-y}Mn{sup 4+}{sub y}Ti{sup 4+}{sub x}O{submore » 3+δ}. The presence of Ti promotes the oxidation of Mn{sup 3+} to Mn{sup 4+}, which is almost negligible for YMnO{sub 3} in air, thereby increasing the uptake of oxygen beyond that required for a given Ti{sup 4+} concentration. The reversibility of the redox reactions is limited by sluggish kinetics; however, the oxidation process continues, if slowly, even at room temperature. The extra oxygen atoms are accommodated by the large interstices within a triangular lattice formed by the [MnO{sub 5}] trigonal bipyramids. According to bond distances from Rietveld refinements using the neutron diffraction data, the YMnO{sub 3} structure features under-bonded Mn and even more severely under-bonded oxygen atoms that form the trigonal bases of the [MnO{sub 5}] bipyramids. The tensile bond strain around the 5-fold coordinated Mn site and the strong preference of Ti{sup 4+}(and Mn{sup 4+}) for higher coordination numbers likely provide driving forces for the oxidation reaction. Reverse Monte Carlo refinements of the local atomic displacements using neutron total scattering revealed how the excess oxygen atoms are accommodated in the structure by correlated local displacements of the host atoms. Large displacements of the under-bonded host oxygen atoms play a key part in this lattice-relaxation process, facilitating reversible exchange of significant amounts of oxygen with atmosphere. - Graphical abstract: Concurrent redox reactions involving Ti and Mn yield facile absorption/desorption of excess oxygen. - Highlights: • Concurrent redox reactions involving Ti and Mn yield oxygen absorption/desorption. • Excess oxygen is accommodated as interstitials via correlated atomic shifts. • Oxygen breathing is facilitated by the under-bonding of host Mn and O atoms.« less

Ares I Static Tests Design

NASA Technical Reports Server (NTRS)

Carson, William; Lindemuth, Kathleen; Mich, John; White, K. Preston; Parker, Peter A.

2009-01-01

Probabilistic engineering design enhances safety and reduces costs by incorporating risk assessment directly into the design process. In this paper, we assess the format of the quantitative metrics for the vehicle which will replace the Space Shuttle, the Ares I rocket. Specifically, we address the metrics for in-flight measurement error in the vector position of the motor nozzle, dictated by limits on guidance, navigation, and control systems. Analyses include the propagation of error from measured to derived parameters, the time-series of dwell points for the duty cycle during static tests, and commanded versus achieved yaw angle during tests. Based on these analyses, we recommend a probabilistic template for specifying the maximum error in angular displacement and radial offset for the nozzle-position vector. Criteria for evaluating individual tests and risky decisions also are developed.

Probing Mechanics of Crumpled Two-Dimensional Membranes and Cantilevers

NASA Astrophysics Data System (ADS)

Nicholl, Ryan; Conley, Hiram; Lavrik, Nickolay; Vlassiouk, Ivan; Puzyrev, Yevgeniy; Sreenivas, Vijayashree Parsi; Pantelides, Sokrates; Bolotin, Kirill

Two-dimensional materials (2DMs) are inevitably crumpled in the out-of-plane direction due to both static wrinkling associated with uneven stresses and dynamic wrinkling resulting from flexural phonons. Here, we investigate the effect of this crumpling on mechanical properties of 2DMs - in-plane stiffness and bending rigidity. To carry out these measurements, we developed techniques to fabricate graphene membranes and singly clamped graphene cantilevers that are stable in vacuum and air. The measurements are performed by actuating these devices electrostatically and monitoring their displacement via sensitive interferometric profilometry both at room and low temperatures. We find that crumpling lowers the in-plane stiffness and strongly increases the bending rigidity of 2DMs. Furthermore, we unravel the relative contribution of static and dynamic wrinkling to observed renormalization of the effective mechanical constants.

An improved EMD method for modal identification and a combined static-dynamic method for damage detection

NASA Astrophysics Data System (ADS)

Yang, Jinping; Li, Peizhen; Yang, Youfa; Xu, Dian

2018-04-01

Empirical mode decomposition (EMD) is a highly adaptable signal processing method. However, the EMD approach has certain drawbacks, including distortions from end effects and mode mixing. In the present study, these two problems are addressed using an end extension method based on the support vector regression machine (SVRM) and a modal decomposition method based on the characteristics of the Hilbert transform. The algorithm includes two steps: using the SVRM, the time series data are extended at both endpoints to reduce the end effects, and then, a modified EMD method using the characteristics of the Hilbert transform is performed on the resulting signal to reduce mode mixing. A new combined static-dynamic method for identifying structural damage is presented. This method combines the static and dynamic information in an equilibrium equation that can be solved using the Moore-Penrose generalized matrix inverse. The combination method uses the differences in displacements of the structure with and without damage and variations in the modal force vector. Tests on a four-story, steel-frame structure were conducted to obtain static and dynamic responses of the structure. The modal parameters are identified using data from the dynamic tests and improved EMD method. The new method is shown to be more accurate and effective than the traditional EMD method. Through tests with a shear-type test frame, the higher performance of the proposed static-dynamic damage detection approach, which can detect both single and multiple damage locations and the degree of the damage, is demonstrated. For structures with multiple damage, the combined approach is more effective than either the static or dynamic method. The proposed EMD method and static-dynamic damage detection method offer improved modal identification and damage detection, respectively, in structures.

Melting of Cu nanoclusters by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Wang, Li; Zhang, Yanning; Bian, Xiufang; Chen, Ying

2003-04-01

We present a detailed molecular dynamics study of the melting of copper nanoclusters with up to 8628 atoms within the framework of the embedded-atom method. The finding indicates that there exists an intermediate nanocrystal regime above 456 atoms. The linear relation between the cluster size and its thermodynamics properties is obeyed in this regime. Melting first occurs at the surface of the clusters, leading to Tm, N= Tm,Bulk- αN-1/3, dropping from Tm,Bulk=1360 K to Tm,456=990 K. In addition, the size, surface energy as well as the root mean square displacement (RMSD) of the clusters in the intermediate regime have been investigated.

Out-of-plane buckling of pantographic fabrics in displacement-controlled shear tests: experimental results and model validation

NASA Astrophysics Data System (ADS)

Barchiesi, Emilio; Ganzosch, Gregor; Liebold, Christian; Placidi, Luca; Grygoruk, Roman; Müller, Wolfgang H.

2018-01-01

Due to the latest advancements in 3D printing technology and rapid prototyping techniques, the production of materials with complex geometries has become more affordable than ever. Pantographic structures, because of their attractive features, both in dynamics and statics and both in elastic and inelastic deformation regimes, deserve to be thoroughly investigated with experimental and theoretical tools. Herein, experimental results relative to displacement-controlled large deformation shear loading tests of pantographic structures are reported. In particular, five differently sized samples are analyzed up to first rupture. Results show that the deformation behavior is strongly nonlinear, and the structures are capable of undergoing large elastic deformations without reaching complete failure. Finally, a cutting edge model is validated by means of these experimental results.

Transient adhesion in a non-fully detached contact.

PubMed

Liu, Zheyu; Lu, Hongyu; Zheng, Yelong; Tao, Dashuai; Meng, Yonggang; Tian, Yu

2018-04-18

Continuous approaching and detaching displacement usually occurs in an adhesion test. Here, we found a transient adhesion force at the end of a non-fully detached contact. This force occurred when the nominal detaching displacement was less than the traditional quasi-static theory predicted zero force point. The transient adhesion force was ascribed to interfacial adhesion hysteresis, which was caused by the cracking process of the contact and the deformation competition between the sphere and supporting spring. Results indicated that the testing of adhesion can be significantly affected by different combinations of stiffnesses of the contact objects and the supporting spring cantilever. This combination should be carefully designed in an adhesion test. All these results enabled increased understanding of the nature of adhesion and can guide the design of adhesive actuators.

Radiofrequency electrode vibration-induced shear wave imaging for tissue modulus estimation: a simulation study.

PubMed

Bharat, Shyam; Varghese, Tomy

2010-10-01

Quasi-static electrode displacement elastography, used for in-vivo imaging of radiofrequency ablation-induced lesions in abdominal organs such as the liver and kidney, is extended in this paper to dynamic vibrational perturbations of the ablation electrode. Propagation of the resulting shear waves into adjoining regions of tissue can be tracked and the shear wave velocity used to quantify the shear (and thereby Young's) modulus of tissue. The algorithm used utilizes the time-to-peak displacement data (obtained from finite element analyses) to calculate the speed of shear wave propagation in the material. The simulation results presented illustrate the feasibility of estimating the Young's modulus of tissue and is promising for characterizing the stiffness of radiofrequency-ablated thermal lesions and surrounding normal tissue.

Three-dimensional coordinates of individual atoms in materials revealed by electron tomography

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

Xu, Rui; Chen, Chien-Chun; Wu, Li

Crystallography, the primary method for determining the 3D atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography represent a global average of many unit cells in a crystal. In this paper, we report, for the first time, the determination of the 3D coordinates of thousands of individual atoms and a point defect in a material by electron tomography with a precision of ~19 pm, where the crystallinity of the material is not assumed. From the coordinates of these individual atoms, we measure the atomic displacement field andmore » the full strain tensor with a 3D resolution of ~1 nm 3 and a precision of ~10 -3, which are further verified by density functional theory calculations and molecular dynamics simulations. Finally, the ability to precisely localize the 3D coordinates of individual atoms in materials without assuming crystallinity is expected to find important applications in materials science, nanoscience, physics, chemistry and biology.« less

Three-dimensional coordinates of individual atoms in materials revealed by electron tomography

DOE PAGES

Xu, Rui; Chen, Chien-Chun; Wu, Li; ...

2015-09-21

Crystallography, the primary method for determining the 3D atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography represent a global average of many unit cells in a crystal. In this paper, we report, for the first time, the determination of the 3D coordinates of thousands of individual atoms and a point defect in a material by electron tomography with a precision of ~19 pm, where the crystallinity of the material is not assumed. From the coordinates of these individual atoms, we measure the atomic displacement field andmore » the full strain tensor with a 3D resolution of ~1 nm 3 and a precision of ~10 -3, which are further verified by density functional theory calculations and molecular dynamics simulations. Finally, the ability to precisely localize the 3D coordinates of individual atoms in materials without assuming crystallinity is expected to find important applications in materials science, nanoscience, physics, chemistry and biology.« less

Improved Sensitivity and Specificity for Detection of Prostate Cancer

DTIC Science & Technology

2007-11-01

potential energy of the system at static equilibrium is purely the strain energy U, as defined in the following expression ( Ugural and Fenster...xzyzxyzyx )( 2 1 )( 222222 γγγεεεµ (2) Based on the strain–displacement relationship ( Ugural and Fenster, 1995), this equation can be rewritten in terms of...Classical Dynamics, Dover, Mineola, NY: Dover Publications, 1997. [22] Ugural AC, Fenster SK: Advanced Strength and Applied Elasticity, 3 rd ed

Theory-Driven Models for Correcting Fight or Flight Imbalance in Gulf War Illness

DTIC Science & Technology

2011-09-01

testing on software • Performed static and dynamic analysis on safety code Research Interests To understand how the nervous system operates, how...dynamics of these systems to reset control of the HPA-immune axis to normal. We have completed the negotiation of sub-awards to the CFIDS Association...We propose that severe physical or psychological insult to the endocrine and immune systems can displace these from a normal regulatory equilibrium

Investigation of influence of errors of cutting machines with CNC on displacement trajectory accuracy of their actuating devices

NASA Astrophysics Data System (ADS)

Fedonin, O. N.; Petreshin, D. I.; Ageenko, A. V.

2018-03-01

In the article, the issue of increasing a CNC lathe accuracy by compensating for the static and dynamic errors of the machine is investigated. An algorithm and a diagnostic system for a CNC machine tool are considered, which allows determining the errors of the machine for their compensation. The results of experimental studies on diagnosing and improving the accuracy of a CNC lathe are presented.

The use of photogrammetric and stereophotogrammetric methods in aerodynamic experiments

NASA Astrophysics Data System (ADS)

Shmyreva, V. N.; Iakovlev, V. A.

The possibilities afforded by photogrammetry and stereophotogrammetry in current aerodynamic experiments, methods of image recording, and observation data processing are briefly reviewed. Some specific experiments illustrating the application of stereophotogrammetry are described. The applications discussed include the monitoring of model position in wind tunnels, determination of model deformations and displacements, determination of the deformations of real structural elements in static strength tests, and solution of a variety of problems in hydrodynamics.

Development of Displacement Gages Exposed to Solid Rocket Motor Internal Environments

NASA Technical Reports Server (NTRS)

Bolton, D. E.; Cook, D. J.

2003-01-01

The Space Shuttle Reusable Solid Rocket Motor (RSRM) has three non-vented segment-to-segment case field joints. These joints use an interference fit J-joint that is bonded at assembly with a Pressure Sensitive Adhesive (PSA) inboard of redundant O-ring seals. Full-scale motor and sub-scale test article experience has shown that the ability to preclude gas leakage past the J-joint is a function of PSA type, joint moisture from pre-assembly humidity exposure, and the magnitude of joint displacement during motor operation. To more accurately determine the axial displacements at the J-joints, two thermally durable displacement gages (one mechanical and one electrical) were designed and developed. The mechanical displacement gage concept was generated first as a non-electrical, self-contained gage to capture the maximum magnitude of the J-joint motion. When it became feasible, the electrical displacement gage concept was generated second as a real-time linear displacement gage. Both of these gages were refined in development testing that included hot internal solid rocket motor environments and simulated vibration environments. As a result of this gage development effort, joint motions have been measured in static fired RSRM J-joints where intentional venting was produced (Flight Support Motor #8, FSM-8) and nominal non-vented behavior occurred (FSM-9 and FSM-10). This data gives new insight into the nominal characteristics of the three case J-joint positions (forward, center and aft) and characteristics of some case J-joints that became vented during motor operation. The data supports previous structural model predictions. These gages will also be useful in evaluating J-joint motion differences in a five-segment Space Shuttle solid rocket motor.

Effect of posterior cruciate ligament rupture on the radial displacement of lateral meniscus.

PubMed

Lei, Pengfei; Sun, Rongxin; Hu, Yihe; Li, Kanghua; Liao, Zhan

2015-06-01

The relationship between lateral meniscus tear and posterior cruciate ligament injury is not well understood. The present study aims to investigate and assess the effect of posterior cruciate ligament rupture on lateral meniscus radial displacement at different flexion angles under static loading conditions. Twelve fresh human cadaveric knee specimens were divided into four groups such as posterior cruciate ligament intact, anterolateral band rupture, posteromedial band rupture and posterior cruciate ligament complete rupture groups, according to the purpose and order of testing. Radial displacement of lateral meniscus was measured under different loads (200-1000N) at 0°, 30°, 60°, and 90° of knee flexion. Compared with posterior cruciate ligament intact group, the displacement values of lateral meniscus in anterolateral band rupture group increased at 0° flexion with 600N, 800N, and 1000N and at 30°, 60° and 90° flexion under all loading conditions. Posteromedial band rupture group exhibited higher displacement at 0° flexion under all loading conditions, at 30° and 60° flexion with 600, 800N and 1000N, and at 90° flexion with 400N, 600N, 800N, and 1000N than the posterior cruciate ligament intact group. The posterior cruciate ligament complete rupture group had a higher displacement value of lateral medial meniscus at 0°, 30°, 60° and 90° flexion under all loading conditions, as compared to the posterior cruciate ligament intact group. The study concludes that partial and complete rupture of the posterior cruciate ligament can trigger the increase of radial displacement on lateral meniscus. Copyright © 2015 Elsevier Ltd. All rights reserved.

Quantum Hall effect with small numbers of vortices in Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Byrnes, Tim; Dowling, Jonathan P.

2015-08-01

When vortices are displaced in Bose-Einstein condensates (BECs), the Magnus force gives the system a momentum transverse in the direction to the displacement. We show that BECs in long channels with vortices exhibit a quantization of the current response with respect to the spatial vortex distribution. The quantization originates from the well-known topological property of the phase around a vortex; it is an integer multiple of 2 π . In a way similar to that of the integer quantum Hall effect, the current along the channel is related to this topological phase and can be extracted from two experimentally measurable quantities: the total momentum of the BEC and the spatial distribution. The quantization is in units of m /2 h , where m is the mass of the atoms and h is Planck's constant. We derive an exact vortex momentum-displacement relation for BECs in long channels under general circumstances. Our results present the possibility that the configuration described here can be used as a novel way of measuring the mass of the atoms in the BEC using a topological invariant of the system. If an accurate determination of the plateaus are experimentally possible, this gives the possibility of a topological quantum mass standard and precise determination of the fine structure constant.

High-stroke silicon-on-insulator MEMS nanopositioner: Control design for non-raster scan atomic force microscopy

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

Maroufi, Mohammad, E-mail: Mohammad.Maroufi@uon.edu.au; Fowler, Anthony G., E-mail: Anthony.Fowler@uon.edu.au; Bazaei, Ali, E-mail: Ali.Bazaei@newcastle.edu.au

A 2-degree of freedom microelectromechanical systems nanopositioner designed for on-chip atomic force microscopy (AFM) is presented. The device is fabricated using a silicon-on-insulator-based process and is designed as a parallel kinematic mechanism. It contains a central scan table and two sets of electrostatic comb actuators along each orthogonal axis, which provides displacement ranges greater than ±10 μm. The first in-plane resonance modes are located at 1274 Hz and 1286 Hz for the X and Y axes, respectively. To measure lateral displacements of the stage, electrothermal position sensors are incorporated in the design. To facilitate high-speed scans, the highly resonant dynamics ofmore » the system are controlled using damping loops in conjunction with internal model controllers that enable accurate tracking of fast sinusoidal set-points. To cancel the effect of sensor drift on controlled displacements, washout controllers are used in the damping loops. The feedback controlled nanopositioner is successfully used to perform several AFM scans in contact mode via a Lissajous scan method with a large scan area of 20 μm × 20 μm. The maximum scan rate demonstrated is 1 kHz.« less

One-step displacement dispersive liquid-liquid microextraction coupled with graphite furnace atomic absorption spectrometry for the selective determination of methylmercury in environmental samples.

PubMed

Liang, Pei; Kang, Caiyan; Mo, Yajun

2016-01-01

A novel method for the selective determination of methylmercury (MeHg) was developed by one-step displacement dispersive liquid-liquid microextraction (D-DLLME) coupled with graphite furnace atomic absorption spectrometry. In the proposed method, Cu(II) reacted with diethyldithiocarbamate (DDTC) to form Cu-DDTC complex, which was used as the chelating agent instead of DDTC for the dispersive liquid-liquid microextraction (DLLME) of MeHg. Because the stability of MeHg-DDTC is higher than that of Cu-DDTC, MeHg can displace Cu from the Cu-DDTC complex and be preconcentrated in a single DLLME procedure. MeHg could be extracted into the extraction solvent phase at pH 6 while Hg(II) remained in the sample solution. Potential interference from co-existing metal ions with lower DDTC complex stability was largely eliminated without the need of any masking reagent. Under the optimal conditions, the limit of detection of this method was 13.6ngL(-1) (as Hg), and an enhancement factor of 81 was achieved with a sample volume of 5.0mL. The proposed method was successfully applied for the determination of trace MeHg in some environmental samples with satisfactory results. Copyright © 2015 Elsevier B.V. All rights reserved.

Quantum state atomic force microscopy

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

Passian, Ali; Siopsis, George

New classical modalities of atomic force microscopy continue to emerge to achieve higher spatial, spectral, and temporal resolution for nanometrology of materials. Here, we introduce the concept of a quantum mechanical modality that capitalizes on squeezed states of probe displacement. We show that such squeezing is enabled nanomechanically when the probe enters the van der Waals regime of interaction with a sample. The effect is studied in the non-contact mode, where we consider the parameter domains characterizing the attractive regime of the probe-sample interaction force.

Anomalous Dynamical Behavior of Freestanding Graphene Membranes

NASA Astrophysics Data System (ADS)

Ackerman, M. L.; Kumar, P.; Neek-Amal, M.; Thibado, P. M.; Peeters, F. M.; Singh, Surendra

2016-09-01

We report subnanometer, high-bandwidth measurements of the out-of-plane (vertical) motion of atoms in freestanding graphene using scanning tunneling microscopy. By tracking the vertical position over a long time period, a 1000-fold increase in the ability to measure space-time dynamics of atomically thin membranes is achieved over the current state-of-the-art imaging technologies. We observe that the vertical motion of a graphene membrane exhibits rare long-scale excursions characterized by both anomalous mean-squared displacements and Cauchy-Lorentz power law jump distributions.

3-(2-Bromo-4,5-dimethoxy­phen­yl)propiononitrile

PubMed Central

Liu, Yan-Ping; Wang, De-Cai; Chen, Hui; Kang, Si-Shun; Huang, Xin-Ming

2008-01-01

In the mol­ecule of the title compound, C11H12BrNO2, a weak intra­molecular C—H⋯Br hydrogen bond results in the formation of a five-membered ring, which adopts an envelope conformation with the H atom displaced by 0.486 Å from the plane of the other ring atoms. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules. PMID:21202583

Quantum state atomic force microscopy

DOE PAGES

Passian, Ali; Siopsis, George

2017-04-10

New classical modalities of atomic force microscopy continue to emerge to achieve higher spatial, spectral, and temporal resolution for nanometrology of materials. Here, we introduce the concept of a quantum mechanical modality that capitalizes on squeezed states of probe displacement. We show that such squeezing is enabled nanomechanically when the probe enters the van der Waals regime of interaction with a sample. The effect is studied in the non-contact mode, where we consider the parameter domains characterizing the attractive regime of the probe-sample interaction force.

Real-Space Formation and Dissipation Dynamics of Hexagonal Reconstruction on Au(100) in Aqueous Media as Explored by Potentiodynamic Scanning Tunneling Microscopy

DTIC Science & Technology

1993-04-01

the clusters appear to form monoatomic layers on the (i x 1) substrate. This assertion, derived from the apparent z-corrugation in the STH images, is...top-layer lattice and thereby displacing one of the nearest-neighbor atoms. A related , although more concerted, atomic motion can also provide a viable...microscopic rate-limiting step(s) for this process are not necessarily related straightforwardly to the free- energy difference for the overall macroscopic

Structural relaxation in a binary metallic melt: Molecular dynamics computer simulation of undercooled Al80Ni20

NASA Astrophysics Data System (ADS)

Das, Subir K.; Horbach, Jürgen; Voigtmann, Thomas

2008-08-01

Molecular dynamics computer simulations are performed to study structure and structural relaxation in the glassforming metallic alloy Al80Ni20 . The interactions between the particles are modeled by an effective potential of the embedded atom type. Our model of Al80Ni20 exhibits chemical short-range order (CSRO) that is reflected in a broad prepeak around a wave number of 1.8Å-1 in the partial static structure factor for the Ni-Ni correlations. The CSRO is due to the preference of Ni atoms to have Al rather than Ni atoms as nearest neighbors. By analyzing incoherent and coherent intermediate scattering functions as well as self-diffusion constants and shear viscosity, we discuss how the chemical ordering is reflected in the dynamics of the deeply undercooled melt. The q dependence of the α relaxation time as well as the Debye-Waller factor for the Al-Al correlations show oscillations at the location of the prepeak in the partial static structure factor for the Ni-Ni correlations. The latter feature of the Debye-Waller factor is well reproduced by a calculation in the framework of the mode coupling theory (MCT) of the glass transition, using the partial static structure factors from the simulation as input. We also check the validity of the Stokes-Einstein-Sutherland formula that relates the self-diffusion coefficients with the shear viscosity. We show that it breaks down already far above the mode coupling critical temperature Tc . The failure of the Stokes-Einstein-Sutherland relation is not related to the specific chemical ordering in Al80Ni20 .

Research on System Coherence Evolution of Different Environmental Models

NASA Astrophysics Data System (ADS)

Zhang, Si-Qi; Lu, Jing-Bin; Li, Hong; Liu, Ji-Ping; Zhang, Xiao-Ru; Liu, Han; Liang, Yu; Ma, Ji; Liu, Xiao-Jing; Wu, Xiang-Yao

2018-04-01

In this paper, we have studied the evolution curve of two-level atomic system that the initial state is excited state. At the different of environmental reservoir models, which include the single Lorentzian, ideal photon band-gap, double Lorentzian and square Lorentzian reservoir, we researched the influence of these environmental reservoir models on the evolution of energy level population. At static no modulation, comparing the four environmental models, the atomic energy level population oscillation of square Lorentzian reservoir model is fastest, and the atomic system decoherence is slowest. Under dynamic modulation, comparing the photon band-gap model with the single Lorentzian reservoir model, no matter what form of dynamic modulation, the time of atoms decay to the ground state is longer for the photonic band-gap model. These conclusions make the idea of using the environmental change to modulate the coherent evolution of atomic system become true.