Nanoscale Subsurface Imaging of Nanocomposites via Resonant Difference-Frequency Atomic Force Ultrasonic Microscopy

NASA Technical Reports Server (NTRS)

Cantrell, Sean A.; Cantrell, John H.; Lillehei, Peter T.

2007-01-01

A scanning probe microscope methodology, called resonant difference-frequency atomic force ultrasonic microscopy (RDF-AFUM), has been developed. The method employs an ultrasonic wave launched from the bottom of a sample while the cantilever of an atomic force microscope engages the sample top surface. The cantilever is driven at a frequency differing from the ultrasonic frequency by one of the contact resonance frequencies of the cantilever. The nonlinear mixing of the oscillating cantilever and the ultrasonic wave at the sample surface generates difference-frequency oscillations at the cantilever contact resonance. The resonance-enhanced difference-frequency signals are used to create amplitude and phase-generated images of nanoscale near-surface and subsurface features. RDF-AFUM phase images of LaRC-CP2 polyimide polymer containing embedded nanostructures are presented. A RDF-AFUM micrograph of a 12.7 micrometer thick film of LaRC-CP2 containing a monolayer of gold nanoparticles embedded 7 micrometers below the specimen surface reveals the occurrence of contiguous amorphous and crystalline phases within the bulk of the polymer and a preferential growth of the crystalline phase in the vicinity of the gold nanoparticles. A RDF-AFUM micrograph of LaRC-CP2 film containing randomly dispersed carbon nanotubes reveals the growth of an interphase region at certain nanotube-polymer interfaces.

A novel ultrasonic clutch using near-field acoustic levitation.

PubMed

Chang, Kuo-Tsi

2004-10-01

This paper investigates design, fabrication and drive of an ultrasonic clutch with two transducers. For the two transducers, one serving as a driving element of the clutch is connected to a driving shaft via a coupling, and the other serving as a slave element of the clutch is connected to a slave shaft via another coupling. The principle of ultrasonic levitation is first expressed. Then, a series-resonant inverter is used to generate AC voltages at input terminals of each transducer, and a speed measuring system with optic sensors is used to find the relationship between rotational speed of the slave shaft and applied voltage of each transducer. Moreover, contact surfaces of the two transducers are coupled by the frictional force when both the two transducers are not energized, and separated using the ultrasonic levitation when at least one of the two transducers is energized at high voltages at resonance.

Cavitation Bubble Streaming in Ultrasonic-Standing-Wave Field

NASA Astrophysics Data System (ADS)

Nomura, Shinfuku; Mukasa, Shinobu; Kuroiwa, Masaya; Okada, Yasuyuki; Murakami, Koichi

2005-05-01

The mechanism of cavitation bubble streaming by ultrasonic vibration in a water tank was experimentally investigated. A standard ultrasonic cleaner unit with a resonant frequency of 40 kHz was used as an ultrasonic generator. The behavior of the streaming was visualized by the schlieren method and sonochemical luminescence, and the velocity of the streaming was measured by laser Doppler velocity measurement equipment (LDV). The cavitation bubble streaming has two structures. A cavitation cloud, which consists of many cavitation bubbles, is shaped like a facing pair of bowls with a diameter of approximately 1/3 the wavelength of the standing wave, and moves inside the standing-wave field with a velocity of 30 to 60 mm/s. The cavitation bubbles move intensely in the cloud with a velocity of 5 m/s at an ultrasonic output power of 75 W. The streaming is completely different from conventional acoustic streaming. Also the cavitation bubble is generated neither at the pressure node nor at the antinode.

Measurements of stiff-material compliance on the nanoscale using ultrasonic force microscopy

NASA Astrophysics Data System (ADS)

Dinelli, F.; Biswas, S. K.; Briggs, G. A. D.; Kolosov, O. V.

2000-05-01

Ultrasonic force microscopy (UFM) was introduced to probe nanoscale mechanical properties of stiff materials. This was achieved by vibrating the sample far above the first resonance of the probing atomic force microscope cantilever where the cantilever becomes dynamically rigid. By operating UFM at different set force values, it is possible to directly measure the absolute values of the tip-surface contact stiffness. From this an evaluation of surface elastic properties can be carried out assuming a suitable solid-solid contact model. In this paper we present curves of stiffness as a function of the normal load in the range of 0-300 nN. The dependence of stiffness on the relative humidity has also been investigated. Materials with different elastic constants (such as sapphire lithium fluoride, and silicon) have been successfully differentiated. Continuum mechanics models cannot however explain the dependence of stiffness on the normal force and on the relative humidity. In this high-frequency regime, it is likely that viscous forces might play an important role modifying the tip-surface interaction. Plastic deformation might also occur due to the high strain rates applied when ultrasonically vibrating the sample. Another possible cause of these discrepancies might be the presence of water in between the two bodies in contact organizing in a solidlike way and partially sustaining the load.

"Non-Contact Ultrasonic Treatment of Metals in a Magnetic Field"

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

Ludtka, Gerard Michael; Wilgen, John B; Kisner, Roger A

2007-01-01

A concept has been originated for non-contact ultrasonic treatment of metals based on the use of an induction coil located in a high-field superconducting magnet. An advantage of using a high magnetic field environment (> 9 T) is that this allows the induced surface current in the sample to be decreased proportionately. As a result, the incidental induction heating associated with the use of the EMAT (Electromagnetic Acoustical Transducer) is greatly reduced, which improves the energy efficiency of the EMAT approach. The method can be coupled with high-field magnetic processing, but can also be used where only ultrasonic treatment ismore » beneficial. In the proof-of-principle experiments, a high-field EMAT was used for non-contact ultrasonic processing of aluminum samples during solidification. The magnetic field for the EMAT was supplied by a high-field (20 Tesla) resistive magnet, and the current was provided by an induction coil. This resulted in a highly efficient EMAT that delivered 0.5 MPa (~5 atmospheres) of acoustic drive to the surface of the sample while coupling less than 100 watts of incidental induction heating. The exceptionally high energy efficiency of the electromagnetic transducer is due to the use of the high magnetic field, which reduces the current needed to achieve the same acoustic pressure. In these initial experiments, aluminum samples of A356 alloy were heated to the liquid state and allowed to solidify at a controlled cooling rate while subjected to the non-contact ultrasonic stimulation (0.5 MPa @ 165 kHz) provided by an induction coil located within the 200 mm (~8-inch) bore of a 20-T Bitter resistive magnet.« less

Vibration analysis and sound field characteristics of a tubular ultrasonic radiator.

PubMed

Liang, Zhaofeng; Zhou, Guangping; Zhang, Yihui; Li, Zhengzhong; Lin, Shuyu

2006-12-01

A sort of tubular ultrasonic radiator used in ultrasonic liquid processing is studied. The frequency equation of the tubular radiator is derived, and its radiated sound field in cylindrical reactor is calculated using finite element method and recorded by means of aluminum foil erosion. The results indicate that sound field of tubular ultrasonic radiator in cylindrical reactor appears standing waves along both its radial direction and axial direction, and amplitudes of standing waves decrease gradually along its radial direction, and the numbers of standing waves along its axial direction are equal to the axial wave numbers of tubular radiator. The experimental results are in good agreement with calculated results.

Ultrasonic Low-Friction Containment Plate for Thermal and Ultrasonic Stir Weld Processes

NASA Technical Reports Server (NTRS)

Graff, Karl; Short, Matt

2013-01-01

The thermal stir welding (TSW) process is finding applications in fabrication of space vehicles. In this process, workpieces to be joined by TSW are drawn, by heavy forces, between "containment plates," past the TSW tool that then causes joining of the separate plates. It is believed that the TSW process would be significantly improved by reducing the draw force, and that this could be achieved by reducing the friction forces between the workpieces and containment plates. Based on use of high-power ultrasonics in metal forming processes, where friction reduction in drawing dies has been achieved, it is believed that ultrasonic vibrations of the containment plates could achieve similar friction reduction in the TSW process. By applying ultrasonic vibrations to the containment plates in a longitudinal vibration mode, as well as by mounting and holding the containment plates in a specific manner such as to permit the plates to acoustically float, friction between the metal parts and the containment plates is greatly reduced, and so is the drawing force. The concept was to bring in the ultrasonics from the sides of the plates, permitting the ultrasonic hardware to be placed to the side, away from the equipment that contains the thermal stir tooling and that applies clamping forces to the plates. Tests demonstrated that one of the major objectives of applying ultrasonics to the thermal stir system, that of reducing draw force friction, should be achievable on a scaled-up system.

Nonlinear propagation in ultrasonic fields: measurements, modelling and harmonic imaging.

PubMed

Humphrey, V F

2000-03-01

In high amplitude ultrasonic fields, such as those used in medical ultrasound, nonlinear propagation can result in waveform distortion and the generation of harmonics of the initial frequency. In the nearfield of a transducer this process is complicated by diffraction effects associated with the source. The results of a programme to study the nonlinear propagation in the fields of circular, focused and rectangular transducers are described, and comparisons made with numerical predictions obtained using a finite difference solution to the Khokhlov-Zabolotskaya-Kuznetsov (or KZK) equation. These results are extended to consider nonlinear propagation in tissue-like media and the implications for ultrasonic measurements and ultrasonic heating are discussed. The narrower beamwidths and reduced side-lobe levels of the harmonic beams are illustrated and the use of harmonics to form diagnostic images with improved resolution is described.

Ultrasonic Sound Field Mapping Through Coarse Grained Cast Austenitic Stainless Steel Components

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

Crawford, Susan L.; Prowant, Matthew S.; Cinson, Anthony D.

2014-08-01

The Pacific Northwest National Laboratory (PNNL) has been involved with nondestructive examination (NDE) of coarse-grained cast austenitic stainless steel (CASS) components for over 30 years. More recent work has focused on mapping the ultrasonic sound fields generated by low-frequency phased array probes that are typically used for the evaluation of CASS materials for flaw detection and characterization. The casting process results in the formation of large grained material microstructures that are nonhomogeneous and anisotropic. The propagation of ultrasonic energy for examination of these materials results in scattering, partitioning and redirection of these sound fields. The work reported here provides anmore » assessment of sound field formation in these materials and provides recommendations on ultrasonic inspection parameters for flaw detection in CASS components.« less

The Effect of Fabric Position to the Distribution of Acoustic Pressure Field in Ultrasonic Bath

NASA Astrophysics Data System (ADS)

Gürses, B. O.; Özdemir, A. O.; Tonay, Ö.; Şener, M.; Perinçek, S.

2017-10-01

Nowadays, the use of ultrasonic energy in textile wet processes at industrial-scale is limited. It is largely due to the lack of understanding about design, operational and performance characteristics of the ultrasonic bath, suitable for textile treatments. In the context of this study, the effect of fabric position, as one of the design parameter, to the distribution of acoustic pressure field in ultrasonic bath was investigated. The ultrasonic bath in the size 20×30 cm2 with one transducer at frequency 40 kHz was used in experiments. The cotton fabric with 1 mm thickness was moved along vertical and horizontal directions of the ultrasonic bath. The acoustic field and cavitation volume density in the bath is analyzed by COMSOL Multiphysic. The cavitation volume density is calculated by comparing the pressure points in the bath with cavitation threshold pressure. Consequently, it was found that the position of the textile material in the ultrasonic bath is one of the most important factors to achieve the uniform and maximum acoustic cavitation field. So, it should be taken into consideration during the design of industrial-scale ultrasonic bath used in textile wet processes.

Rod-shaped cavitation bubble structure in ultrasonic field.

PubMed

Bai, Lixin; Wu, Pengfei; Liu, Huiyu; Yan, Jiuchun; Su, Chang; Li, Chao

2018-06-01

Rod-shaped cavitation bubble structure in thin liquid layers in ultrasonic field is investigated experimentally. It is found that cavitation structure successively experiences several stages with the change of the thickness of the thin liquid layer. Rod-shaped structure is a stable structure of the boundary between the cavitation cloud region and the non-cavitation liquid region, which can be formed in two different ways. Cavitation bubbles in a thin liquid layer have a distribution in the thickness direction. The rod-shaped structures tend to crosslink with each other to form stable Y-branch structures. The angle of the Y-branch structure is Gauss distribution with mathematical expectation μ = 119.93. A special rod-shaped cavitation structure with source is also investigated in detail. Due to the pressure gradient in the normal direction, the primary Bjerknes force causes the bubbles in the rod-shaped structure on both sides to converge to the axis. The secondary Bjerknes forces between the bubbles also make the cluster converge, so the large bubbles which are attached to the radiating surface tend to align themselves along the central line. According to the formula deduced in this paper, the variation of curvature of curved rod-shaped structure is qualitatively analyzed. The Y-branch structure of cavitation cloud and Plateau boundary of soap bubbles are compared. Copyright © 2018 Elsevier B.V. All rights reserved.

Ultrasonic Measurement of Strain Distribution Inside Object Cyclically Compressed by Dual Acoustic Radiation Force

NASA Astrophysics Data System (ADS)

Odagiri, Yoshitaka; Hasegawa, Hideyuki; Kanai, Hiroshi

2008-05-01

One possible way to evaluate acupuncture therapy quantitatively is to measure the change in the elastic property of muscle after application of the therapy. Many studies have been conducted to measure mechanical properties of tissues using ultrasound-induced acoustic radiation force. To assess mechanical properties, strain must be generated in an object. However, a single radiation force is not effective because it mainly generates translational motion when the object is much harder than the surrounding medium. In this study, two cyclic radiation forces are simultaneously applied to a muscle phantom from two opposite horizontal directions so that the object is cyclically compressed in the horizontal direction. By the horizontal compression, the object is expanded vertically based on its incompressibility. The resultant vertical displacement is measured using another ultrasound pulse. Two ultrasonic transducers for actuation were both driven by the sum of two continuous sinusoidal signals at two slightly different frequencies [1 MHz and (1 M + 5) Hz]. The displacement of several micrometers in amplitude, which fluctuated at 5 Hz, was measured by the ultrasonic phased tracking method. Increase in thickness inside the object was observed just when acoustic radiation forces increased. Such changes in thickness correspond to vertical expansion due to horizontal compression.

Effect of holed reflector on acoustic radiation force in noncontact ultrasonic dispensing of small droplets

NASA Astrophysics Data System (ADS)

Tanaka, Hiroki; Wada, Yuji; Mizuno, Yosuke; Nakamura, Kentaro

2016-06-01

We investigated the fundamental aspects of droplet dispensing, which is an important procedure in the noncontact ultrasonic manipulation of droplets in air. A holed reflector was used to dispense a droplet from a 27.4 kHz standing-wave acoustic field to a well. First, the relationship between the hole diameter of the reflector and the acoustic radiation force acting on a levitated droplet was clarified by calculating the acoustic impedance of the point just above the hole. When the hole diameter was half of (or equal to) the acoustic wavelength λ, the acoustic radiation force was ∼80% (or 50%) of that without a hole. The maximal diameters of droplets levitated above the holes through flat and half-cylindrical reflectors were then experimentally investigated. For instance, with the half-cylindrical reflector, the maximal diameter was 5.0 mm for a hole diameter of 6.0 mm, and droplets were levitatable up to a hole diameter of 12 mm (∼λ).

An improved DPSM technique for modelling ultrasonic fields in cracked solids

NASA Astrophysics Data System (ADS)

Banerjee, Sourav; Kundu, Tribikram; Placko, Dominique

2007-04-01

In recent years Distributed Point Source Method (DPSM) is being used for modelling various ultrasonic, electrostatic and electromagnetic field modelling problems. In conventional DPSM several point sources are placed near the transducer face, interface and anomaly boundaries. The ultrasonic or the electromagnetic field at any point is computed by superimposing the contributions of different layers of point sources strategically placed. The conventional DPSM modelling technique is modified in this paper so that the contributions of the point sources in the shadow region can be removed from the calculations. For this purpose the conventional point sources that radiate in all directions are replaced by Controlled Space Radiation (CSR) sources. CSR sources can take care of the shadow region problem to some extent. Complete removal of the shadow region problem can be achieved by introducing artificial interfaces. Numerically synthesized fields obtained by the conventional DPSM technique that does not give any special consideration to the point sources in the shadow region and the proposed modified technique that nullifies the contributions of the point sources in the shadow region are compared. One application of this research can be found in the improved modelling of the real time ultrasonic non-destructive evaluation experiments.

Dynamic properties of micro-particles in ultrasonic transportation using phase-controllable standing waves

NASA Astrophysics Data System (ADS)

Jia, Kun; Mei, Deqing; Meng, Jianxin; Yang, Keji

2014-10-01

Ultrasonic manipulation has become an attractive method for surface-sensitive objects in micro-technology. Related phenomena, such as radiation force, multiple scattering, and acoustic streaming, have been widely studied. However, in current studies, the behavior of micro-particles in potential force fields is always analyzed in a quasi-static manner. We developed a dynamic model of a dilute micro-particle in the commonly used two-dimensional ultrasonic manipulation system to provide a systemic and quantitative analysis of the transient properties of particle movement. In this model, the acoustic streaming and hydrodynamic forces, omitted in previous work, were both considered. The trajectory of a spherical silica particle with different initial conditions was derived by numerically solving the established nonlinear differential integral equation system, which was then validated experimentally. The envelope of the experimental data on the x-axis showed good agreement with the theoretical calculation, and the greater influence on the y-axis of the deviation between the actual sound field and the ideal distribution employed in our dynamic model could account for the differences in displacement in that direction. Finally, the influence of particle size on its movement and the effect of acoustic streaming on calculating the hydrodynamic forces for an isolated particle with motion relative to the fluid were analyzed theoretically. It was found that the ultrasonic manipulation system will translate from an under-damped system to an over-damped system with a decrease in particle size and the micro-scale acoustic streaming velocity was negligible when calculating the hydrodynamic forces on the particle in the ultrasonic manipulation system.

Control of hydrodynamic cavitation using ultrasonic

NASA Astrophysics Data System (ADS)

Chatterjee, Dhiman; Arakeri, Vijay H.

2003-11-01

Hydrodynamic cavitation is known to have many harmful effects like surface damage and generation of noise. We investigated the use of ultrasonics to control traveling bubble cavitation. Ultrasonic pressure field, produced by a piezoelectric crystal, was applied to modify the nuclei size distribution. Effects of continuous-wave (CW) and pulsed excitations were studied. At low dissolved gas content the CW-mode performed better than the pulsed one, whereas for high gas content the pulsed one was more effective. The dominant mechanisms were Bjerknes force and rectified diffusion in these two cases. Simultaneous excitation by two crystals in CW and pulsed modes was seen to control cavitation better.

The ultrasonic characteristics of high frequency modulated arc and its application in material processing.

PubMed

He, Longbiao; Yang, Ping; Li, Luming; Wu, Minsheng

2014-12-01

To solve the difficulty of introducing traditional ultrasonic transducers to welding molten pool, high frequency current is used to modulate plasma arc and ultrasonic wave is excited successfully. The characteristics of the excited ultrasonic field are studied. The results show that the amplitude-frequency response of the ultrasonic emission is flat. The modulating current is the main factor influencing the ultrasonic power and the sound pressure depends on the variation of arc plasma stream force. Experimental study of the welding structure indicates grain refinement by the ultrasonic emission of the modulated arc and the test results showed there should be an energy region for the arc ultrasonic to get best welding joints. Copyright © 2014 Elsevier B.V. All rights reserved.

Development of pulse-echo ultrasonic propagation imaging system and its delivery to Korea Air Force

NASA Astrophysics Data System (ADS)

Ahmed, Hasan; Hong, Seung-Chan; Lee, Jung-Ryul; Park, Jongwoon; Ihn, Jeong-Beom

2017-04-01

This paper proposes a full-field pulse-echo ultrasonic propagation imaging (FF-PE-UPI) system for non-destructive evaluation of structural defects. The system works by detection of bulk waves that travel through the thickness of a specimen. This is achieved by joining the laser beams for the ultrasonic wave generation and sensing. This enables accurate and clear damage assessment and defect localization in the thickness with minimum signal processing since bulk waves are less susceptible to dispersion during short propagation through the thickness. The system consists of a Qswitched laser for generating the aforementioned waves, a laser Doppler vibrometer (LDV) for sensing, optical elements to combine the generating and sensing laser beams, a dual-axis automated translation stage for raster scanning of the specimen and a digitizer to record the signals. A graphical user interface (GUI) is developed to control all the individual blocks of the system. Additionally, the software also manages signal acquisition, processing, and display. The GUI is created in C++ using the QT framework. In view of the requirements posed by the Korean Air Force(KAF), the system is designed to be compact and portable to allow for in situ inspection of a selected area of a larger structure such as radome or rudder of an aircraft. The GUI is designed with a minimalistic approach to promote usability and adaptability while masking the intricacies of actual system operation. Through the use of multithreading the software is able to show the results while a specimen is still being scanned. This is achieved by real-time and concurrent acquisition, processing, and display of ultrasonic signal of the latest scan point in the scan area.

Application of Discrete Huygens Method for Diffraction of Transient Ultrasonic Field

NASA Astrophysics Data System (ADS)

Alia, A.

2018-01-01

Several time-domain methods have been widely used to predict impulse response in acoustics. Despite its great potential, Discrete Huygens Method (DHM) has not been as widely used in the domain of ultrasonic diffraction as in other fields. In fact, little can be found in literature about the application of the DHM to diffraction phenomenon that can be described in terms of direct and edge waves, a concept suggested by Young since 1802. In this paper, a simple axisymmetric DHM-model has been used to simulate the transient ultrasonic field radiation of a baffled transducer and its diffraction by a target located on axis. The results are validated by impulse response based calculations. They indicate the capability of DHM to simulate diffraction occurring at transducer and target edges and to predict the complicated transient field in pulse mode.

Nondestructive testing and characterization of residual stress field using an ultrasonic method

NASA Astrophysics Data System (ADS)

Song, Wentao; Xu, Chunguang; Pan, Qinxue; Song, Jianfeng

2016-03-01

To address the difficulty in testing and calibrating the stress gradient in the depth direction of mechanical components, a new technology of nondestructive testing and characterization of the residual stress gradient field by ultrasonic method is proposed based on acoustoelasticity theory. By carrying out theoretical analysis, the sensitivity coefficients of different types of ultrasonic are obtained by taking the low carbon steel(12%C) as a research object. By fixing the interval distance between sending and receiving transducers, the mathematical expressions of the change of stress and the variation of time are established. To design one sending-one receiving and oblique incidence ultrasonic detection probes, according to Snell law, the critically refracted longitudinal wave (LCR wave) is excited at a certain depth of the fixed distance of the tested components. Then, the relationship between the depth of LCR wave detection and the center frequency of the probe in Q235 steel is obtained through experimental study. To detect the stress gradient in the depth direction, a stress gradient LCR wave detection model is established, through which the stress gradient formula is derived by the relationship between center frequency and detecting depth. A C-shaped stress specimen of Q235 steel is designed to conduct stress loading tests, and the stress is measured with the five group probes at different center frequencies. The accuracy of ultrasonic testing is verified by X-ray stress analyzer. The stress value of each specific depth is calculated using the stress gradient formula. Accordingly, the ultrasonic characterization of residual stress field is realized. Characterization results show that the stress gradient distribution is consistent with the simulation in ANSYS. The new technology can be widely applied in the detection of the residual stress gradient field caused by mechanical processing, such as welding and shot peening.

Experimental Attempts for Deep Insertion in Ultrasonically Forced Insertion Process

NASA Astrophysics Data System (ADS)

Ono, Satoshi; Aoyagi, Manabu; Tamura, Hideki; Takano, Takehiro

2011-07-01

In this paper, we describe two attempts of obtaining deep insertion in an ultrasonically forced insertion (USFI) process. One was to correct the inclination of an inserted rod by passively generated bending vibrations. The inclination causes a partial plastic deformation, which decreases the holding power of processing materials. Two types of horn with grooves for excitation of bending vibrations were examined. The other was to make differences in vibration velocity and the phase of a rod and a metal plate by damping the vibration of a metal plate by using a rubber sheet. As results, the attempts proposed in this study were confirmed to be effective to obtain a deep insertion.

Sound intensity probe for ultrasonic field in water using light-emitting diodes and piezoelectric elements

NASA Astrophysics Data System (ADS)

Zeng, Xi; Mizuno, Yosuke; Nakamura, Kentaro

2017-12-01

The sound intensity vector provides useful information on the state of an ultrasonic field in water, since sound intensity is a vector quantity expressing the direction and magnitude of the sound field. In the previous studies on sound intensity measurement in water, conventional piezoelectric sensors and metal cables were used, and the transmission distance was limited. A new configuration of a sound intensity probe suitable for ultrasonic measurement in water is proposed and constructed for trial in this study. The probe consists of light-emitting diodes and piezoelectric elements, and the output signals are transmitted through fiber optic cables as intensity-modulated light. Sound intensity measurements of a 26 kHz ultrasonic field in water are demonstrated. The difference in the intensity vector state between the water tank with and without sound-absorbing material on its walls was successfully observed.

Dispersion Method Using Focused Ultrasonic Field

NASA Astrophysics Data System (ADS)

Jungsoon Kim,; Moojoon Kim,; Kanglyel Ha,; Minchul Chu,

2010-07-01

The dispersion of powders into liquids has become one of the most important techniques in high-tech industries and it is a common process in the formulation of various products, such as paint, ink, shampoo, beverages, and polishing media. In this study, an ultrasonic system with a cylindrical transducer is newly introduced for pure nanoparticle dispersion. The acoustics pressure field and the characteristics of the shock pulse caused by cavitation are investigated. The frequency spectrum of the pulse from the collapse of air bubbles in the cavitation is analyzed theoretically. It was confirmed that a TiO2 water suspension can be dispersed effectively using the suggested system.

Interfacial Dynamics of Condensing Vapor Bubbles in an Ultrasonic Acoustic Field

NASA Astrophysics Data System (ADS)

Boziuk, Thomas; Smith, Marc; Glezer, Ari

2016-11-01

Enhancement of vapor condensation in quiescent subcooled liquid using ultrasonic actuation is investigated experimentally. The vapor bubbles are formed by direct injection from a pressurized steam reservoir through nozzles of varying characteristic diameters, and are advected within an acoustic field of programmable intensity. While kHz-range acoustic actuation typically couples to capillary instability of the vapor-liquid interface, ultrasonic (MHz-range) actuation leads to the formation of a liquid spout that penetrates into the vapor bubble and significantly increases its surface area and therefore condensation rate. Focusing of the ultrasonic beam along the spout leads to ejection of small-scale droplets from that are propelled towards the vapor liquid interface and result in localized acceleration of the condensation. High-speed video of Schlieren images is used to investigate the effects of the ultrasonic actuation on the thermal boundary layer on the liquid side of the vapor-liquid interface and its effect on the condensation rate, and the liquid motion during condensation is investigated using high-magnification PIV measurements. High-speed image processing is used to assess the effect of the actuation on the dynamics and temporal variation in characteristic scale (and condensation rate) of the vapor bubbles.

Droplet charging regimes for ultrasonic atomization of a liquid electrolyte in an external electric field.

PubMed

Forbes, Thomas P; Degertekin, F Levent; Fedorov, Andrei G

2011-01-01

Distinct regimes of droplet charging, determined by the dominant charge transport process, are identified for an ultrasonic droplet ejector using electrohydrodynamic computational simulations, a fundamental scale analysis, and experimental measurements. The regimes of droplet charging are determined by the relative magnitudes of the dimensionless Strouhal and electric Reynolds numbers, which are a function of the process (pressure forcing), advection, and charge relaxation time scales for charge transport. Optimal (net maximum) droplet charging has been identified to exist for conditions in which the electric Reynolds number is of the order of the inverse Strouhal number, i.e., the charge relaxation time is on the order of the pressure forcing (droplet formation) time scale. The conditions necessary for optimal droplet charging have been identified as a function of the dimensionless Debye number (i.e., liquid conductivity), external electric field (magnitude and duration), and atomization drive signal (frequency and amplitude). The specific regime of droplet charging also determines the functional relationship between droplet charge and charging electric field strength. The commonly expected linear relationship between droplet charge and external electric field strength is only found when either the inverse of the Strouhal number is less than the electric Reynolds number, i.e., the charge relaxation is slower than both the advection and external pressure forcing, or in the electrostatic limit, i.e., when charge relaxation is much faster than all other processes. The analysis provides a basic understanding of the dominant physics of droplet charging with implications to many important applications, such as electrospray mass spectrometry, ink jet printing, and drop-on-demand manufacturing.

Droplet charging regimes for ultrasonic atomization of a liquid electrolyte in an external electric field

PubMed Central

Forbes, Thomas P.; Degertekin, F. Levent; Fedorov, Andrei G.

2011-01-01

Distinct regimes of droplet charging, determined by the dominant charge transport process, are identified for an ultrasonic droplet ejector using electrohydrodynamic computational simulations, a fundamental scale analysis, and experimental measurements. The regimes of droplet charging are determined by the relative magnitudes of the dimensionless Strouhal and electric Reynolds numbers, which are a function of the process (pressure forcing), advection, and charge relaxation time scales for charge transport. Optimal (net maximum) droplet charging has been identified to exist for conditions in which the electric Reynolds number is of the order of the inverse Strouhal number, i.e., the charge relaxation time is on the order of the pressure forcing (droplet formation) time scale. The conditions necessary for optimal droplet charging have been identified as a function of the dimensionless Debye number (i.e., liquid conductivity), external electric field (magnitude and duration), and atomization drive signal (frequency and amplitude). The specific regime of droplet charging also determines the functional relationship between droplet charge and charging electric field strength. The commonly expected linear relationship between droplet charge and external electric field strength is only found when either the inverse of the Strouhal number is less than the electric Reynolds number, i.e., the charge relaxation is slower than both the advection and external pressure forcing, or in the electrostatic limit, i.e., when charge relaxation is much faster than all other processes. The analysis provides a basic understanding of the dominant physics of droplet charging with implications to many important applications, such as electrospray mass spectrometry, ink jet printing, and drop-on-demand manufacturing. PMID:21301636

Effects of high power ultrasonic vibration on the cold compaction of titanium.

PubMed

Fartashvand, Vahid; Abdullah, Amir; Ali Sadough Vanini, Seyed

2017-05-01

Titanium has widely been used in chemical and aerospace industries. In order to overcome the drawbacks of cold compaction of titanium, the process was assisted by an ultrasonic vibration system. For this purpose, a uniaxial ultrasonic assisted cold powder compaction system was designed and fabricated. The process variables were powder size, compaction pressure and initial powder compact thickness. Density, friction force, ejection force and spring back of the fabricated samples were measured and studied. The density was observed to improve under the action of ultrasonic vibration. Fine size powders showed better results of consolidation while using ultrasonic vibration. Under the ultrasonic action, it is thought that the friction forces between the die walls and the particles and those friction forces among the powder particles are reduced. Spring back and ejection force didn't considerably change when using ultrasonic vibration. Copyright © 2016 Elsevier B.V. All rights reserved.

Characterization of the acoustic field generated by a horn shaped ultrasonic transducer

NASA Astrophysics Data System (ADS)

Hu, B.; Lerch, J. E.; Chavan, A. H.; Weber, J. K. R.; Tamalonis, A.; Suthar, K. J.; DiChiara, A. D.

2017-09-01

A horn shaped Langevin ultrasonic transducer used in a single axis levitator was characterized to better understand the role of the acoustic profile in establishing stable traps. The method of characterization included acoustic beam profiling performed by raster scanning an ultrasonic microphone as well as finite element analysis of the horn and its interface with the surrounding air volume. The results of the model are in good agreement with measurements and demonstrate the validity of the approach for both near and far field analyses. Our results show that this style of transducer produces a strong acoustic beam with a total divergence angle of 10°, a near-field point close to the transducer surface and a virtual sound source. These are desirable characteristics for a sound source used for acoustic trapping experiments.

Ultrasonic friction power during Al wire wedge-wedge bonding

NASA Astrophysics Data System (ADS)

Shah, A.; Gaul, H.; Schneider-Ramelow, M.; Reichl, H.; Mayer, M.; Zhou, Y.

2009-07-01

Al wire bonding, also called ultrasonic wedge-wedge bonding, is a microwelding process used extensively in the microelectronics industry for interconnections to integrated circuits. The bonding wire used is a 25μm diameter AlSi1 wire. A friction power model is used to derive the ultrasonic friction power during Al wire bonding. Auxiliary measurements include the current delivered to the ultrasonic transducer, the vibration amplitude of the bonding tool tip in free air, and the ultrasonic force acting on the bonding pad during the bond process. The ultrasonic force measurement is like a signature of the bond as it allows for a detailed insight into mechanisms during various phases of the process. It is measured using piezoresistive force microsensors integrated close to the Al bonding pad (Al-Al process) on a custom made test chip. A clear break-off in the force signal is observed, which is followed by a relatively constant force for a short duration. A large second harmonic content is observed, describing a nonsymmetric deviation of the signal wave form from the sinusoidal shape. This deviation might be due to the reduced geometrical symmetry of the wedge tool. For bonds made with typical process parameters, several characteristic values used in the friction power model are determined. The ultrasonic compliance of the bonding system is 2.66μm/N. A typical maximum value of the relative interfacial amplitude of ultrasonic friction is at least 222nm. The maximum interfacial friction power is at least 11.5mW, which is only about 4.8% of the total electrical power delivered to the ultrasonic generator.

Characterization of the acoustic field generated by a horn shaped ultrasonic transducer

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

Hu, B.; Lerch, J. E.; Chavan, A. H.

A horn shaped Langevin ultrasonic transducer used in a single axis levitator was characterized to better understand the role of the acoustic profile in establishing stable traps. The method of characterization included acoustic beam profiling performed by raster scanning an ultrasonic microphone as well as finite element analysis of the horn and its interface with the surrounding air volume. The results of the model are in good agreement with measurements and demonstrate the validity of the approach for both near and far field analyses. Our results show that this style of transducer produces a strong acoustic beam with a totalmore » divergence angle of 10 degree, a near-field point close to the transducer surface and a virtual sound source. These are desirable characteristics for a sound source used for acoustic trapping experiments« less

Ultrasonic power measurement system based on acousto-optic interaction.

PubMed

He, Liping; Zhu, Fulong; Chen, Yanming; Duan, Ke; Lin, Xinxin; Pan, Yongjun; Tao, Jiaquan

2016-05-01

Ultrasonic waves are widely used, with applications including the medical, military, and chemical fields. However, there are currently no effective methods for ultrasonic power measurement. Previously, ultrasonic power measurement has been reliant on mechanical methods such as hydrophones and radiation force balances. This paper deals with ultrasonic power measurement based on an unconventional method: acousto-optic interaction. Compared with mechanical methods, the optical method has a greater ability to resist interference and also has reduced environmental requirements. Therefore, this paper begins with an experimental determination of the acoustic power in water contained in a glass tank using a set of optical devices. Because the light intensity of the diffraction image generated by acousto-optic interaction contains the required ultrasonic power information, specific software was written to extract the light intensity information from the image through a combination of filtering, binarization, contour extraction, and other image processing operations. The power value can then be obtained rapidly by processing the diffraction image using a computer. The results of this work show that the optical method offers advantages that include accuracy, speed, and a noncontact measurement method.

Ultrasonic power measurement system based on acousto-optic interaction

NASA Astrophysics Data System (ADS)

He, Liping; Zhu, Fulong; Chen, Yanming; Duan, Ke; Lin, Xinxin; Pan, Yongjun; Tao, Jiaquan

2016-05-01

Ultrasonic waves are widely used, with applications including the medical, military, and chemical fields. However, there are currently no effective methods for ultrasonic power measurement. Previously, ultrasonic power measurement has been reliant on mechanical methods such as hydrophones and radiation force balances. This paper deals with ultrasonic power measurement based on an unconventional method: acousto-optic interaction. Compared with mechanical methods, the optical method has a greater ability to resist interference and also has reduced environmental requirements. Therefore, this paper begins with an experimental determination of the acoustic power in water contained in a glass tank using a set of optical devices. Because the light intensity of the diffraction image generated by acousto-optic interaction contains the required ultrasonic power information, specific software was written to extract the light intensity information from the image through a combination of filtering, binarization, contour extraction, and other image processing operations. The power value can then be obtained rapidly by processing the diffraction image using a computer. The results of this work show that the optical method offers advantages that include accuracy, speed, and a noncontact measurement method.

Superparamagnetic iron oxide nanoparticles incorporated into silica nanoparticles by inelastic collision via ultrasonic field: Role of colloidal stability

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

Sodipo, Bashiru Kayode; Azlan, Abdul Aziz; Innovation

2015-04-24

Superparamagnetic iron oxide nanoparticles (SPION)/Silica composite nanoparticles were prepared by ultrasonically irradiating colloidal suspension of silica and SPION mixture. Both silica and SPION were synthesized independently via co-precipitation and sol-gel method, respectively. Their mixtures were sonicated at different pH between 3 and 5. Electrophoresis measurement and other physicochemical analyses of the products demonstrate that at lower pH SPION was found incorporated into the silica. However, at pH greater than 4, SPION was unstable and unable to withstand the turbulence flow and shock wave from the ultrasonic field. Results suggest that the formation of the SPION/silica composite nanoparticles is strongly relatedmore » to the inelastic collision induced by ultrasonic irradiation. More so, the formation the composite nanoparticles via the ultrasonic field are dependent on the zeta potential and colloidal stability of the particles.« less

Ultrasonic vibration double scratch morphology and scratching force of BK7 glass

NASA Astrophysics Data System (ADS)

Wang, Chu; Wang, Hongxiang; Liu, Junliang; Gao, Shi

2018-03-01

In this paper, the damage morphology and scratching force of BK7 glass components were analyzed by ultrasonic vibration double-scratch test. The results showed that there was surface damage caused by plastic flow and brittle fracture during the scratching process, and the scratching depth and the distance between the two scratches had effect on the propagation and overlapping of lateral cracks. When the scratching depth was small, the jagged scratch was produced on the surface, and accompanied by a small amount of tiny pieces of debris off. With the increase in scratching depth, the lateral cracks caused by scratching overlapped and expended to form a mesh sheet, and then fell off from the surface. When the scratching distance was small, the interaction of the cracks caused large slice of material to fall off. With the increase in scratching distance, the area between the two scratches was not easy to occur the overlapping of the lateral cracks. In addition, with the increase of the scratching depth, the scratching force showed a gradual increase trend, and the scratching force of the second scratch would increase with the scratching distance.

Simulation of ultrasonic and EMAT arrays using FEM and FDTD.

PubMed

Xie, Yuedong; Yin, Wuliang; Liu, Zenghua; Peyton, Anthony

2016-03-01

This paper presents a method which combines electromagnetic simulation and ultrasonic simulation to build EMAT array models. For a specific sensor configuration, Lorentz forces are calculated using the finite element method (FEM), which then can feed through to ultrasonic simulations. The propagation of ultrasound waves is numerically simulated using finite-difference time-domain (FDTD) method to describe their propagation within homogenous medium and their scattering phenomenon by cracks. Radiation pattern obtained with Hilbert transform on time domain waveforms is proposed to characterise the sensor in terms of its beam directivity and field distribution along the steering angle. Copyright © 2015 Elsevier B.V. All rights reserved.

Enhanced retroviral gene delivery in ultrasonic standing wave fields.

PubMed

Lee, Y-H; Peng, C-A

2005-04-01

Enhancement of retroviral transduction efficiency has been achieved by several physical and chemical approaches. However, the application of those methods is hampered by not easily scalable configurations. In this study, instead of looking into the effect of sonoporation, the potential of ultrasonic standing wave fields (USWF) to facilitate retroviral transduction rate was explored. We reasoned that, driven by the primary acoustic radiation force, suspended cells moved to the pressure nodal planes first and formed cell bands. Nanometer-sized retroviruses, circulated between nodal planes by acoustic microstreaming, then used the preformed cell bands as the nucleating sites to attach on. As a result, the encounter opportunity between retroviruses and cells was increased and further facilitated the gene delivery efficiency. Our results showed that mega-Hertz USWF brought K562 erythroleukemia cells (10(6) cells/ml) and vesicular stomatitis virus G-protein (VSV-G) pseudotyped retroviruses (titer of 5 x 10(6) CFU/ml) into close contact at the pressure nodal planes, yielding a four-fold increment of enhanced green fluorescent protein transgene expression after 5-min USWF exposure in the presence of Polybrene. Furthermore, with a fixed titer of retrovirus, the transduction rate was augmented with the increase of cell concentration. In summary, USWF offer a feasible means to enhance retroviral transduction efficiency in large-scale settings.

The Role of Magnetic Forces in Biology and Medicine

PubMed Central

Roth, Bradley J

2011-01-01

The Lorentz force (the force acting on currents in a magnetic field) plays an increasingly larger role in techniques to image current and conductivity. This review will summarize several applications involving the Lorentz force, including 1) magneto-acoustic imaging of current, 2) “Hall effect” imaging, 3) ultrasonically-induced Lorentz force imaging of conductivity, 4) magneto-acoustic tomography with magnetic induction, and 5) Lorentz force imaging of action currents using magnetic resonance imaging. PMID:21321309

High-throughput Analysis of Ultrasonication-forced Amyloid Fibrillation Reveals the Mechanism Underlying the Large Fluctuation in the Lag Time*

PubMed Central

Umemoto, Ayaka; Yagi, Hisashi; So, Masatomo; Goto, Yuji

2014-01-01

Amyloid fibrils form in supersaturated solutions of precursor proteins by a nucleation and growth mechanism characterized by a lag time. Although the lag time provides a clue to understanding the complexity of nucleation events, its long period and low reproducibility have been obstacles for exact analysis. Ultrasonication is known to effectively break supersaturation and force fibrillation. By constructing a Handai amyloid burst inducer, which combines a water bath-type ultrasonicator and a microplate reader, we examined the ultrasonication-forced fibrillation of several proteins, with a focus on the fluctuation in the lag time. Amyloid fibrillation of hen egg white lysozyme was examined at pH 2.0 in the presence of 1.0–5.0 M guanidine hydrochloride (GdnHCl), in which the dominant species varied from the native to denatured conformations. Although fibrillation occurred at various concentrations of GdnHCl, the lag time varied largely, with a minimum being observed at ∼3.0 m, the concentration at which GdnHCl-dependent denaturation ended. The coefficient of variation of the lag time did not depend significantly on the GdnHCl concentration and was 2-fold larger than that of the ultrasonication-dependent oxidation of iodide, a simple model reaction. These results suggest that the large fluctuation observed in the lag time for amyloid fibrillation originated from a process associated with a common amyloidogenic intermediate, which may have been a relatively compact denatured conformation. We also suggest that the Handai amyloid burst inducer system will be useful for studying the mechanism of crystallization of proteins because proteins form crystals by the same mechanism as amyloid fibrils under supersaturation. PMID:25118286

Non-contact transportation system of small objects using Ultrasonic Waveguides

NASA Astrophysics Data System (ADS)

Nakamura, K.; Koyama, D.

2012-12-01

A transportation system for small object or fluid without contact is investigated being based on ultrasonic levitation. Small objects are suspended against gravity at the nodal points in ultrasonic pressure field due to the sound radiation force generated as the gradient of the energy density of the field. In this study, the trapped object is transported in the horizontal plane by introducing the spatial shift of the standing waves by the switching the lateral modes or travelling waves. The goal of the study is to establish a technology which can provide a total system with the flexibility in composing various transportation paths. Methods for linear/rotary stepping motions and continuous linear transportation are explained in this report. All the transportation tracks are composed of a bending vibrator and a reflector. The design for these acoustic cavity/waveguide is discussed.

Ultrasonic manipulation of particles and cells. Ultrasonic separation of cells.

PubMed

Coakley, W T; Whitworth, G; Grundy, M A; Gould, R K; Allman, R

1994-04-01

Cells or particles suspended in a sonic standing wave field experience forces which concentrate them at positions separated by half a wavelength. The aims of the study were: (1) To optimise conditions and test theoretical predictions for ultrasonic concentration and separation of particles or cells. (2) To investigate the scale-up of experimental systems. (3) To establish the maximum acoustic pressure to which a suspension might be exposed without inducing order-disrupting cavitation. (4) To compare the efficiencies of techniques for harvesting concentrated particles. The primary outcomes were: (1) To design of an acoustic pressure distribution within cylindrical containers which led to uniformly repeating sound pressure patterns throughout the containers in the standing wave mode, concentrated suspended eukaryotic cells or latex beads in clumps on the axis of wide containers, and provided uniform response of all particle clumps to acoustic harvesting regimes. Theory for the behaviour (e.g. movement to different preferred sites) of particles as a function of specific gravity and compressibility in containers of different lateral dimensions was extended and was confirmed experimentally. Convective streaming in the container was identified as a variable requiring control in the manipulation of particles of 1 micron or smaller size. (2) Consideration of scale-up from the model 10 ml volume led to the conclusion that flow systems in intermediate volume containers have more promise than scaled up batch systems. (3) The maximum acoustic pressures applicable to a suspension without inducing order-disrupting cavitation or excessive conductive streaming at 1 MHz and 3 MHz induce a force equivalent to a centrifugal field of about 10(3) g. (4) The most efficient technique for harvesting concentrated particles was the introduction of a frequency increment between two transducers to form a slowly sweeping pseudo-standing wave. The attractive inter-droplet ultrasonic standing

Association schemes perspective of microbubble cluster in ultrasonic fields.

PubMed

Behnia, S; Yahyavi, M; Habibpourbisafar, R

2018-06-01

Dynamics of a cluster of chaotic oscillators on a network are studied using coupled maps. By introducing the association schemes, we obtain coupling strength in the adjacency matrices form, which satisfies Markov matrices property. We remark that in general, the stability region of the cluster of oscillators at the synchronization state is characterized by Lyapunov exponent which can be defined based on the N-coupled map. As a detailed physical example, dynamics of microbubble cluster in an ultrasonic field are studied using coupled maps. Microbubble cluster dynamics have an indicative highly active nonlinear phenomenon, were not easy to be explained. In this paper, a cluster of microbubbles with a thin elastic shell based on the modified Keller-Herring equation in an ultrasonic field is demonstrated in the framework of the globally coupled map. On the other hand, a relation between the microbubble elements is replaced by a relation between the vertices. Based on this method, the stability region of microbubbles pulsations at complete synchronization state has been obtained analytically. In this way, distances between microbubbles as coupling strength play the crucial role. In the stability region, we thus observe that the problem of study of dynamics of N-microbubble oscillators reduce to that of a single microbubble. Therefore, the important parameters of the isolated microbubble such as applied pressure, driving frequency and the initial radius have effective behavior on the synchronization state. Copyright © 2018 Elsevier B.V. All rights reserved.

High performance ultrasonic field simulation on complex geometries

NASA Astrophysics Data System (ADS)

Chouh, H.; Rougeron, G.; Chatillon, S.; Iehl, J. C.; Farrugia, J. P.; Ostromoukhov, V.

2016-02-01

Ultrasonic field simulation is a key ingredient for the design of new testing methods as well as a crucial step for NDT inspection simulation. As presented in a previous paper [1], CEA-LIST has worked on the acceleration of these simulations focusing on simple geometries (planar interfaces, isotropic materials). In this context, significant accelerations were achieved on multicore processors and GPUs (Graphics Processing Units), bringing the execution time of realistic computations in the 0.1 s range. In this paper, we present recent works that aim at similar performances on a wider range of configurations. We adapted the physical model used by the CIVA platform to design and implement a new algorithm providing a fast ultrasonic field simulation that yields nearly interactive results for complex cases. The improvements over the CIVA pencil-tracing method include adaptive strategies for pencil subdivisions to achieve a good refinement of the sensor geometry while keeping a reasonable number of ray-tracing operations. Also, interpolation of the times of flight was used to avoid time consuming computations in the impulse response reconstruction stage. To achieve the best performance, our algorithm runs on multi-core superscalar CPUs and uses high performance specialized libraries such as Intel Embree for ray-tracing, Intel MKL for signal processing and Intel TBB for parallelization. We validated the simulation results by comparing them to the ones produced by CIVA on identical test configurations including mono-element and multiple-element transducers, homogeneous, meshed 3D CAD specimens, isotropic and anisotropic materials and wave paths that can involve several interactions with interfaces. We show performance results on complete simulations that achieve computation times in the 1s range.

Calculation of acoustic field based on laser-measured vibration velocities on ultrasonic transducer surface

NASA Astrophysics Data System (ADS)

Hu, Liang; Zhao, Nannan; Gao, Zhijian; Mao, Kai; Chen, Wenyu; Fu, Xin

2018-05-01

Determination of the distribution of a generated acoustic field is valuable for studying ultrasonic transducers, including providing the guidance for transducer design and the basis for analyzing their performance, etc. A method calculating the acoustic field based on laser-measured vibration velocities on the ultrasonic transducer surface is proposed in this paper. Without knowing the inner structure of the transducer, the acoustic field outside it can be calculated by solving the governing partial differential equation (PDE) of the field based on the specified boundary conditions (BCs). In our study, the BC on the transducer surface, i.e. the distribution of the vibration velocity on the surface, is accurately determined by laser scanning measurement of discrete points and follows a data fitting computation. In addition, to ensure the calculation accuracy for the whole field even in an inhomogeneous medium, a finite element method is used to solve the governing PDE based on the mixed BCs, including the discretely measured velocity data and other specified BCs. The method is firstly validated on numerical piezoelectric transducer models. The acoustic pressure distributions generated by a transducer operating in an homogeneous and inhomogeneous medium, respectively, are both calculated by the proposed method and compared with the results from other existing methods. Then, the method is further experimentally validated with two actual ultrasonic transducers used for flow measurement in our lab. The amplitude change of the output voltage signal from the receiver transducer due to changing the relative position of the two transducers is calculated by the proposed method and compared with the experimental data. This method can also provide the basis for complex multi-physical coupling computations where the effect of the acoustic field should be taken into account.

Effect of ultrasonic capillary dynamics on the mechanics of thermosonic ball bonding.

PubMed

Huang, Yan; Shah, Aashish; Mayer, Michael; Zhou, Norman Y; Persic, John

2010-01-01

Microelectronic wire bonding is an essential step in today's microchip production. It is used to weld (bond) microwires to metallized pads of integrated circuits using ultrasound with hundreds of thousands of vibration cycles. Thermosonic ball bonding is the most popular variant of the wire bonding process and frequently investigated using finite element (FE) models that simplify the ultrasonic dynamics of the process with static or quasistatic boundary conditions. In this study, the ultrasonic dynamics of the bonding tool (capillary), made from Al(2)O(3), is included in a FE model. For more accuracy of the FE model, the main material parameters are measured. The density of the capillary was measured to be rho(cap) = 3552 +/- 100 kg/m(3). The elastic modulus of the capillary, E(cap) = 389 +/- 11 GPa, is found by comparing an auxiliary FE model of the free vibrating capillary with measured values. A capillary "nodding effect" is identified and found to be essential when describing the ultrasonic vibration shape. A main FE model builds on these results and adds bonded ball, pad, chip, and die attach components. There is excellent agreement between the main model and the ultrasonic force measured at the interface on a test chip with stress microsensors. Bonded ball and underpad stress results are reported. When adjusted to the same ultrasonic force, a simplified model without ultrasonic dynamics and with an infinitely stiff capillary tip is substantially off target by -40% for the maximum underpad stress. The compliance of the capillary causes a substantial inclination effect at the bonding interface between wire and pad. This oscillating inclination effect massively influences the stress fields under the pad and is studied in more detail. For more accurate results, it is therefore recommended to include ultrasonic dynamics of the bonding tool in mechanical FE models of wire bonding.

Field deployable processing methods for stay-in-place ultrasonic transducers

NASA Astrophysics Data System (ADS)

Malarich, Nathan; Lissenden, Cliff J.; Tittmann, Bernhard R.

2018-04-01

Condition monitoring provides key data for managing the operation and maintenance of mechanical equipment in the power generation, chemical processing, and manufacturing industries. Ultrasonic transducers provide active monitoring capabilities by wall thickness measurements, elastic property determination, crack detection, and other means. In many cases the components operate in harsh environments that may include high temperature, radiation, and hazardous chemicals. Thus, it is desirable to have permanently affixed ultrasonic transducers for condition monitoring in harsh environments. Spray-on transducers provide direct coupling between the active element and the substrate, and can be applied to curved surfaces. We describe a deposition methodology for ultrasonic transducers that can be applied in the field. First, piezoceramic powders mixed into a sol-gel are air-spray deposited onto the substrate. Powder constituents are selected based on the service environment in which the condition monitoring will be performed. Then the deposited coating is pyrolyzed and partially densified using an induction heating system with a custom work coil designed to match the substrate geometry. The next step, applying the electrodes, is more challenging than might be expected because of the porosity of the piezoelectric coating and the potential reactivity of elements in the adjacent layers. After connecting lead wires to the electrodes the transducer is poled and a protective coating can be applied prior to use. Processing of a PZT-bismuth titanate transducer on a large steel substrate is described along with alternate methods.

Experiments on Ultrasonic Lubrication Using a Piezoelectrically-assisted Tribometer and Optical Profilometer

PubMed Central

Dong, Sheng; Dapino, Marcelo

2015-01-01

Friction and wear are detrimental to engineered systems. Ultrasonic lubrication is achieved when the interface between two sliding surfaces is vibrated at a frequency above the acoustic range (20 kHz). As a solid-state technology, ultrasonic lubrication can be used where conventional lubricants are unfeasible or undesirable. Further, ultrasonic lubrication allows for electrical modulation of the effective friction coefficient between two sliding surfaces. This property enables adaptive systems that modify their frictional state and associated dynamic response as the operating conditions change. Surface wear can also be reduced through ultrasonic lubrication. We developed a protocol to investigate the dependence of friction force reduction and wear reduction on the linear sliding velocity between ultrasonically lubricated surfaces. A pin-on-disc tribometer was built which differs from commercial units in that a piezoelectric stack is used to vibrate the pin at 22 kHz normal to the rotating disc surface. Friction and wear metrics including effective friction force, volume loss, and surface roughness are measured without and with ultrasonic vibrations at a constant pressure of 1 to 4 MPa and three different sliding velocities: 20.3, 40.6, and 87 mm/sec. An optical profilometer is utilized to characterize the wear surfaces. The effective friction force is reduced by 62% at 20.3 mm/sec. Consistently with existing theories for ultrasonic lubrication, the percent reduction in friction force diminishes with increasing speed, down to 29% friction force reduction at 87 mm/sec. Wear reduction remains essentially constant (49%) at the three speeds considered. PMID:26436691

Automatic feed system for ultrasonic machining

DOEpatents

Calkins, Noel C.

1994-01-01

Method and apparatus for ultrasonic machining in which feeding of a tool assembly holding a machining tool toward a workpiece is accomplished automatically. In ultrasonic machining, a tool located just above a workpiece and vibrating in a vertical direction imparts vertical movement to particles of abrasive material which then remove material from the workpiece. The tool does not contact the workpiece. Apparatus for moving the tool assembly vertically is provided such that it operates with a relatively small amount of friction. Adjustable counterbalance means is provided which allows the tool to be immobilized in its vertical travel. A downward force, termed overbalance force, is applied to the tool assembly. The overbalance force causes the tool to move toward the workpiece as material is removed from the workpiece.

Ultrasonic neuromodulation

NASA Astrophysics Data System (ADS)

Naor, Omer; Krupa, Steve; Shoham, Shy

2016-06-01

Ultrasonic waves can be non-invasively steered and focused into mm-scale regions across the human body and brain, and their application in generating controlled artificial modulation of neuronal activity could therefore potentially have profound implications for neural science and engineering. Ultrasonic neuro-modulation phenomena were experimentally observed and studied for nearly a century, with recent discoveries on direct neural excitation and suppression sparking a new wave of investigations in models ranging from rodents to humans. In this paper we review the physics, engineering and scientific aspects of ultrasonic fields, their control in both space and time, and their effect on neuronal activity, including a survey of both the field’s foundational history and of recent findings. We describe key constraints encountered in this field, as well as key engineering systems developed to surmount them. In closing, the state of the art is discussed, with an emphasis on emerging research and clinical directions.

Ultrasonic Stir Welding

NASA Technical Reports Server (NTRS)

Nabors, Sammy

2015-01-01

NASA Marshall Space Flight Center (MSFC) developed Ultrasonic Stir Welding (USW) to join large pieces of very high-strength metals such as titanium and Inconel. USW, a solid-state weld process, improves current thermal stir welding processes by adding high-power ultrasonic (HPU) energy at 20 kHz frequency. The addition of ultrasonic energy significantly reduces axial, frictional, and shear forces; increases travel rates; and reduces wear on the stir rod, which results in extended stir rod life. The USW process decouples the heating, stirring, and forging elements found in the friction stir welding process allowing for independent control of each process element and, ultimately, greater process control and repeatability. Because of the independent control of USW process elements, closed-loop temperature control can be integrated into the system so that a constant weld nugget temperature can be maintained during welding.

The observation of resistivity change on the ultrasonic treated Fe-Cr ODS sinter alloy under magnetic field influence

NASA Astrophysics Data System (ADS)

Silalahi, Marzuki; Purwanto, Setyo; Mujamilah; Dimyati, Arbi

2018-03-01

About the observation of resistivity change on the ultrasonic treated Fe-Cr ODS sinter alloy under magnetic field influence. This paper reported about the observation of the resistivity change in the ultrasonic pre-treated Fe-Cr ODS sinter alloy under the influence of magnetic field at the Center for Science and Technology of Advanced Material, Nuclear Energy Agency of Indonesia. Fe-Cr ODS alloy were sinthesized by vacuum sintering of Fe- and Cr-powder dispersed Y2O3. However, before sintering the powder mixture was subjected to the irradiation process by ultrasonic for 50 hours at 20 kHz and then isostatic pressed up to 50.91 MPa to form a coin of 10 mm in diameter. LCR meassurement revealed the decreasing of resistivity about 3 times by increasing of applied magnetic field from 0 to 70 mT. In addition, VSM meassurement was performed on both as powder material and as sintered sample. The results showed increasing the magnetization with increasing magnetic field and the curve exhibits almost exact symmetry S-form with small hysterese indicating fast changing magnetization and demagnetization capability without energy loss. This opens strong speculations about the existence of magnetoresistant property of the material which is important for many application in field of sensors or electro magnetic valves.

The development of recent high-power ultrasonic transducers for Near-well ultrasonic processing technology.

PubMed

Wang, Zhenjun; Xu, Yuanming

2017-07-01

With the reduction of crude oil throughout the world, enhance oil recovery technology has become a major oil research topics, which can greatly increase the recovery ratio of the crude oil before the dawning of renewable energy era. Near-well ultrasonic processing technology, as one new method, has attracted more attention for Enhanced Oil Recovery due to its low cost, good applicability and no environmental pollution in recent rears. There are two important relevant aspects about Near-well ultrasonic processing technology: (a) how to enhance the oil flow through the rocks into the pumping pool and (b) how to reduce the oil viscosity so that it can be easier to pump. Therefore, how to design a high-power ultrasonic equipment with excellent performance is crucial for Near-well ultrasonic processing technology. In this paper, recent new high-power ultrasonic transducers for Near-well ultrasonic processing technology are summarized. Each field application of them are also given. The purpose of this paper is to provide reference for the further development of Near-well ultrasonic processing technology. With the reduction of crude oil throughout the world, enhance oil recovery technology has become a major oil research topics, which can greatly increase the recovery ratio of the crude oil before the dawning of renewable energy era. Near-well ultrasonic processing technology, as one new method, has attracted more attention for Enhanced Oil Recovery due to its low cost, good applicability and no environmental pollution in recent rears. There are two important relevant aspects about Near-well ultrasonic processing technology: (a) how to enhance the oil flow through the rocks into the pumping pool and (b) how to reduce the oil viscosity so that it can be easier to pump. Therefore, how to design a high-power ultrasonic equipment with excellent performance is crucial for Near-well ultrasonic processing technology. In this paper, recent new high-power ultrasonic transducers

Ultrasonic/Sonic Impacting Penetrators

NASA Technical Reports Server (NTRS)

Bao, Xiaoqi; Bar-Cohen, Yoseph; Chang, Zensheu; Sherrit, Stewart; Stark, Randall A.

2008-01-01

Ultrasonic/sonic impacting penetrators (USIPs) are recent additions to the series of apparatuses based on ultrasonic/sonic drill corers (USDCs). A USIP enables a rod probe to penetrate packed soil or another substance of similar consistency, without need to apply a large axial force that could result in buckling of the probe or in damage to some buried objects. USIPs were conceived for use in probing and analyzing soil to depths of tens of centimeters in the vicinity of buried barrels containing toxic waste, without causing rupture of the barrels. USIPs could also be used for other purposes, including, for example, searching for pipes, barrels, or other hard objects buried in soil; and detecting land mines. USDCs and other apparatuses based on USDCs have been described in numerous previous NASA Tech Briefs articles. The ones reported previously were designed, variously, for boring into, and/or acquiring samples of, rock or other hard, brittle materials of geological interest. To recapitulate: A USDC can be characterized as a lightweight, low-power, piezoelectrically driven jackhammer in which ultrasonic and sonic vibrations are generated and coupled to a tool bit. As shown in the figure, a basic USDC includes a piezoelectric stack, a backing and a horn connected to the stack, a free mass (free in the sense that it can slide axially a short distance between the horn and the shoulder of tool bit), and a tool bit, i.e., probe for USIP. The piezoelectric stack is driven at the resonance frequency of the stack/horn/backing assembly to create ultrasonic vibrations that are mechanically amplified by the horn. To prevent fracture during operation, the piezoelectric stack is held in compression by a bolt. The bouncing of the free mass between the horn and the tool bit at sonic frequencies generates hammering actions to the bit that are more effective for drilling than is the microhammering action of ultrasonic vibrations in ordinary ultrasonic drills. The hammering actions

Ultrasonic Vocalizations Emitted by Flying Squirrels

PubMed Central

Murrant, Meghan N.; Bowman, Jeff; Garroway, Colin J.; Prinzen, Brian; Mayberry, Heather; Faure, Paul A.

2013-01-01

Anecdotal reports of ultrasound use by flying squirrels have existed for decades, yet there has been little detailed analysis of their vocalizations. Here we demonstrate that two species of flying squirrel emit ultrasonic vocalizations. We recorded vocalizations from northern (Glaucomys sabrinus) and southern (G. volans) flying squirrels calling in both the laboratory and at a field site in central Ontario, Canada. We demonstrate that flying squirrels produce ultrasonic emissions through recorded bursts of broadband noise and time-frequency structured frequency modulated (FM) vocalizations, some of which were purely ultrasonic. Squirrels emitted three types of ultrasonic calls in laboratory recordings and one type in the field. The variety of signals that were recorded suggest that flying squirrels may use ultrasonic vocalizations to transfer information. Thus, vocalizations may be an important, although still poorly understood, aspect of flying squirrel social biology. PMID:24009728

Characterization of the acoustic field generated by a horn shaped ultrasonic transducer

DOE PAGES

Hu, B.; Lerch, J. E.; Chavan, A. H.; ...

2017-09-04

A horn shaped Langevin ultrasonic transducer used in a single axis levitator was characterized to better understand the role of the acoustic profile in establishing stable traps. The method of characterization included acoustic beam profiling performed by raster scanning an ultrasonic microphone as well as finite element analysis of the horn and its interface with the surrounding air volume. The results of the model are in good agreement with measurements and demonstrate the validity of the approach for both near and far field analysis. Our results show that this style of transducer produces a strong acoustic beam with a totalmore » divergence angle of 10 degrees, a nearfield point close to the transducer surface and a virtual sound source. These are desirable characteristics for a sound source used for acoustic trapping experiments.« less

Characterization of the acoustic field generated by a horn shaped ultrasonic transducer

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

Hu, B.; Lerch, J. E.; Chavan, A. H.

A horn shaped Langevin ultrasonic transducer used in a single axis levitator was characterized to better understand the role of the acoustic profile in establishing stable traps. The method of characterization included acoustic beam profiling performed by raster scanning an ultrasonic microphone as well as finite element analysis of the horn and its interface with the surrounding air volume. The results of the model are in good agreement with measurements and demonstrate the validity of the approach for both near and far field analysis. Our results show that this style of transducer produces a strong acoustic beam with a totalmore » divergence angle of 10 degrees, a nearfield point close to the transducer surface and a virtual sound source. These are desirable characteristics for a sound source used for acoustic trapping experiments.« less

Monitoring bolt torque levels through signal processing of full-field ultrasonic data

NASA Astrophysics Data System (ADS)

Haynes, Colin; Yeager, Michael; Todd, Michael; Lee, Jung-Ryul

2014-03-01

Using full-field ultrasonic guided wave data can provide a wealth of information on the state of a structure through a detailed characterization of its wave propagation properties. However, the need for appropriate feature selection and quantified metrics for making rigorous assessments of the structural state is in no way lessened by the density of information. In this study, a simple steel bolted connection with two bolts is monitored for bolt loosening. The full-field data were acquired using a scanning-laser-generated ultrasound system with a single surface-mounted sensor. Such laser systems have many advantages that make them attractive for nondestructive evaluation, including their high-speed, high spatial resolution, and the ability to scan large areas of in-service structures. In order to characterize the relationship between bolt torque and the resulting wavefield in this specimen, the bolt torque in each of the bolts is independently varied from fully tightened to fully loosened in several steps. First, qualitative observations about the changes in the wavefield are presented. Next, an approach to quantifying the wave transmission through the bolted joint is discussed. Finally, a method of monitoring the bolt torque using the ultrasonic data is demonstrated.

Deformation of red blood cells using acoustic radiation forces

PubMed Central

Mishra, Puja; Hill, Martyn; Glynne-Jones, Peter

2014-01-01

Acoustic radiation forces have been used to manipulate cells and bacteria in a number of recent microfluidic applications. The net force on a cell has been subject to careful investigation over a number of decades. We demonstrate that the radiation forces also act to deform cells. An ultrasonic standing wave field is created in a 0.1 mm glass capillary at a frequency of 7.9 MHz. Using osmotically swollen red-blood cells, we show observable deformations up to an aspect ratio of 1.35, comparable to deformations created by optical tweezing. In contrast to optical technologies, ultrasonic devices are potentially capable of deforming thousands of cells simultaneously. We create a finite element model that includes both the acoustic environment of the cell, and a model of the cell membrane subject to forces resulting from the non-linear aspects of the acoustic field. The model is found to give reasonable agreement with the experimental results, and shows that the deformation is the result of variation in an acoustic force that is directed outwards at all points on the cell membrane. We foresee applications in diagnostic devices, and in the possibility of mechanically stimulating cells to promote differentiation and physiological effects. PMID:25379070

Electromagnetic stimulation of the ultrasonic signal for nondestructive detection of the ferromagnetic inclusions and flaws

NASA Astrophysics Data System (ADS)

Finkel, Peter

2007-03-01

It was recently shown that thermal or optical stimulation can be used to increase sensitivity of the conventional nondestructive ultrasonic detection of the small crack, flaws and inclusions in a ferromagnetic thin-walled parts. We proposed another method based on electromagnetic modulation of the ultrasonic scattered signal from the inclusions or defects. The electromagnetically induced high density current pulse produces stresses which alter the ultrasonic waves scanning the part with the defect and modulate ultrasonic signal. The excited electromagnetic field can produces crack-opening due to Lorentz forces that increase the ultrasonic reflection. The Joule heating associated with the high density current, and consequent thermal stresses may cause both crack-closure, as well as crack-opening, depending on various factors. Experimental data is presented here for the case of a small cracks near small holes in thin-walled structures. The measurements were taken at 2-10 MHz with a Lamb wave wedge transducer. It is shown that electromagnetic transient modulation of the ultrasonic echo pulse tone-burst suggest that this method could be used to enhance detection of small cracks and ferromagnetic inclusions in thin walled metallic structures.

Elastic-plastic cube model for ultrasonic friction reduction via Poisson's effect.

PubMed

Dong, Sheng; Dapino, Marcelo J

2014-01-01

Ultrasonic friction reduction has been studied experimentally and theoretically. This paper presents a new elastic-plastic cube model which can be applied to various ultrasonic lubrication cases. A cube is used to represent all the contacting asperities of two surfaces. Friction force is considered as the product of the tangential contact stiffness and the deformation of the cube. Ultrasonic vibrations are projected onto three orthogonal directions, separately changing contact parameters and deformations. Hence, the overall change of friction forces. Experiments are conducted to examine ultrasonic friction reduction using different materials under normal loads that vary from 40 N to 240 N. Ultrasonic vibrations are generated both in longitudinal and vertical (out-of-plane) directions by way of the Poisson effect. The tests show up to 60% friction reduction; model simulations describe the trends observed experimentally. Copyright © 2013 Elsevier B.V. All rights reserved.

Floating Ultrasonic Transducer Inspection System and Method for Nondestructive Evaluation

NASA Technical Reports Server (NTRS)

Johnston, Patrick H. (Inventor); Zalameda, Joseph N. (Inventor)

2016-01-01

A method for inspecting a structural sample using ultrasonic energy includes positioning an ultrasonic transducer adjacent to a surface of the sample, and then transmitting ultrasonic energy into the sample. Force pulses are applied to the transducer concurrently with transmission of the ultrasonic energy. A host machine processes ultrasonic return pulses from an ultrasonic pulser/receiver to quantify attenuation of the ultrasonic energy within the sample. The host machine detects a defect in the sample using the quantified level of attenuation. The method may include positioning a dry couplant between an ultrasonic transducer and the surface. A system includes an actuator, an ultrasonic transducer, a dry couplant between the transducer the sample, a scanning device that moves the actuator and transducer, and a measurement system having a pulsed actuator power supply, an ultrasonic pulser/receiver, and a host machine that executes the above method.

Dynamics of ultrasonic additive manufacturing.

PubMed

Hehr, Adam; Dapino, Marcelo J

2017-01-01

Ultrasonic additive manufacturing (UAM) is a solid-state technology for joining similar and dissimilar metal foils near room temperature by scrubbing them together with ultrasonic vibrations under pressure. Structural dynamics of the welding assembly and work piece influence how energy is transferred during the process and ultimately, part quality. To understand the effect of structural dynamics during UAM, a linear time-invariant model is proposed to relate the inputs of shear force and electric current to resultant welder velocity and voltage. Measured frequency response and operating performance of the welder under no load is used to identify model parameters. Using this model and in-situ measurements, shear force and welder efficiency are estimated to be near 2000N and 80% when welding Al 6061-H18 weld foil, respectively. Shear force and welder efficiency have never been estimated before in UAM. The influence of processing conditions, i.e., welder amplitude, normal force, and weld speed, on shear force and welder efficiency are investigated. Welder velocity was found to strongly influence the shear force magnitude and efficiency while normal force and weld speed showed little to no influence. The proposed model is used to describe high frequency harmonic content in the velocity response of the welder during welding operations and coupling of the UAM build with the welder. Copyright © 2016 Elsevier B.V. All rights reserved.

Current Status of Protein Force Fields for Molecular Dynamics

PubMed Central

Lopes, Pedro E.M.; Guvench, Olgun

2015-01-01

Summary The current status of classical force fields for proteins is reviewed. These include additive force fields as well as the latest developments in the Drude and AMOEBA polarizable force fields. Parametrization strategies developed specifically for the Drude force field are described and compared with the additive CHARMM36 force field. Results from molecular simulations of proteins and small peptides are summarized to illustrate the performance of the Drude and AMOEBA force fields. PMID:25330958

Study on Gap Flow Field Simulation in Small Hole Machining of Ultrasonic Assisted EDM

NASA Astrophysics Data System (ADS)

Liu, Yu; Chang, Hao; Zhang, Wenchao; Ma, Fujian; Sha, Zhihua; Zhang, Shengfang

2017-12-01

When machining a small hole with high aspect ratio in EDM, it is hard for the flushing liquid entering the bottom gap and the debris could hardly be removed, which results in the accumulation of debris and affects the machining efficiency and machining accuracy. The assisted ultrasonic vibration can improve the removal of debris in the gap. Based on dynamics simulation software Fluent, a 3D model of debris movement in the gap flow field of EDM small hole machining assisted with side flushing and ultrasonic vibration is established in this paper. When depth to ratio is 3, the laws of different amplitudes and frequencies on debris distribution and removal are quantitatively analysed. The research results show that periodic ultrasonic vibration can promote the movement of debris, which is beneficial to the removal of debris in the machining gap. Compared to traditional small hole machining in EDM, the debris in the machining gap is greatly reduced, which ensures the stability of machining process and improves the machining efficiency.

Study of ultrasonic sensor that is effective for all direction using an electromagnetic force

NASA Astrophysics Data System (ADS)

Iwaya, Kazuki; Murayama, Riichi; Hirayama, Takahiro

2015-03-01

Non-destructive inspection using ultrasonic sensors is widely utilized to guarantee the safety of large structures. However, there is the problem that it will take a very long time to complete. Therefore, it was decided to develop a sensor capable of testing a wide range of structures at a high inspection speed. The ultrasonic wave that the ultrasonic sensor can generate must be equally emitted in any direction and the ultrasonic wave returned from any direction be detected. To attain this objective, an electromagnetic acoustic transducer (EMAT) consisting of a circular-shaped magnet and an electric induction coil (EM) has been developed, because it is impossible to fabricate such a special ultrasonic sensor using a commercial-type ultrasonic sensor with a piezoelectric element, and it is convenient to automatically scan over the surface of the structure. First, the detail specifications of the new ultrasonic sensor have been determined by changing many of the parameters, for example, the impedance and the size of the EM coil, the size of the magnet, etc. The performance of the new sensor was then tested under different conditions. Based on the results of the experimental tests, it was demonstrated that the new sensor could generate ultrasonic waves in any direction and detect them from any direction. However, the performance was not high enough to apply the new sensor to a real structure. The new sensor has been improved to increase the performance by adding a new concept.

Analytical model for viscous damping and the spring force for perforated planar microstructures acting at both audible and ultrasonic frequencies

PubMed Central

Homentcovschi, Dorel; Miles, Ronald N.

2008-01-01

The paper presents a model for the squeezed film damping, the resistance of the holes, and the corresponding spring forces for a periodic perforated microstructure including the effects of compressibility, inertia, and rarefied gas. The viscous damping and spring forces are obtained by using the continuity equation. The analytical formula for the squeezed film damping is applied to analyze the response of an ultrasonic transducer. The inclusion of these effects in a model significantly improves the agreement with measured results. Finally, it is shown that the frequency dependence of the total damping and total spring force for a cell are very similar to those corresponding to a rectangular open microstructure without holes. A separate analysis reveals the importance of each particular correction. The most important is the compressibility correction; the inertia has to be considered only for determining the spring force and the damping force for sufficiently high frequencies. PMID:18646964

Ultrasonically assisted drilling of rocks

NASA Astrophysics Data System (ADS)

Mikhailova, N. V.; Onawumi, P. Y.; Roy, A.; Silberschmidt, V. V.

2018-05-01

Conventional drilling of rocks can generate significant damage in the drilled material; a material layer is often split off a back surface of a sample during drilling, negatively affecting its strength. To improve finish quality, ultrasonically assisted drilling (UAD) was employed in two rocks - sandstone and marble. Damage areas in both materials were reduced in UAD when compared to conventional drilling. Reductions in a thrust force and a torque reduction were observed only for UAD in marble; ultrasonic assistance in sandstone drilling did not result in improvements in this regard.

Lipid14: The Amber Lipid Force Field

PubMed Central

2015-01-01

The AMBER lipid force field has been updated to create Lipid14, allowing tensionless simulation of a number of lipid types with the AMBER MD package. The modular nature of this force field allows numerous combinations of head and tail groups to create different lipid types, enabling the easy insertion of new lipid species. The Lennard-Jones and torsion parameters of both the head and tail groups have been revised and updated partial charges calculated. The force field has been validated by simulating bilayers of six different lipid types for a total of 0.5 μs each without applying a surface tension; with favorable comparison to experiment for properties such as area per lipid, volume per lipid, bilayer thickness, NMR order parameters, scattering data, and lipid lateral diffusion. As the derivation of this force field is consistent with the AMBER development philosophy, Lipid14 is compatible with the AMBER protein, nucleic acid, carbohydrate, and small molecule force fields. PMID:24803855

Experimental study on titanium wire drawing with ultrasonic vibration.

PubMed

Liu, Shen; Shan, Xiaobiao; Guo, Kai; Yang, Yuancai; Xie, Tao

2018-02-01

Titanium and its alloys have been widely used in aerospace and biomedical industries, however, they are classified as difficult-to-machine materials. In this paper, ultrasonic vibration is imposed on the die to overcome the difficulties during conventional titanium wire drawing processes at the room temperature. Numerical simulations were performed to investigate the variation of axial stress within the contacting region and study the change of the drawing stress with several factors in terms of the longitudinal amplitude and frequency of the applied ultrasonic vibration, the diameter reduction ratio, and the drawing force. An experimental testing equipment was established to measure the drawing torque and rotational velocity of the coiler drum during the wire drawing process. The result indicates the drawing force increases with the growth of the drawing velocity and the reduction ratio, whether with or without vibrations. Application of either form of ultrasonic vibrations contributes to the further decrease of the drawing force, especially the longitudinal vibration with larger amplitude. SEM was employed to detect the surface morphology of the processed wires drawn under the three circumstances. The surface quality of the drawn wires with ultrasonic vibrations was apparently improved compared with those using conventional method. In addition, the longitudinal and torsional composite vibration was more effective for surface quality improvement than pure longitudinal vibration, however, at the cost of weakened drawing force reduction effect. Copyright © 2017 Elsevier B.V. All rights reserved.

Electromagnetic modulation of the ultrasonic signal for nondestructive detection of small defects and ferromagnetic inclusions in thin wall structures

NASA Astrophysics Data System (ADS)

Finkel, Peter

2008-03-01

We report on new nondestructive evaluation technique based on electromagnetic modulation of ultrasonic signal for detection of the small crack, flaws and inclusions in thin-walled parts. The electromagnetically induced high density current pulse produces stresses which alter the ultrasonic waves scanning the part with the defect and modulate ultrasonic signal. The excited electromagnetic field can produces crack-opening due to Lorentz forces that increase the ultrasonic reflection. The Joule heating associated with the high density current, and consequent thermal stresses may cause both crack-closure, as well as crack-opening, depending on various factors. Experimental data is presented here for the case of a small crack near holes in thin-walled structures. The measurements were taken at 2-10 MHz with a Lamb wave wedge transducer. It is shown that electromagnetic transient modulation of the ultrasonic echo pulse tone-burst suggest that this method could be used to enhance detection of small cracks and ferromagnetic inclusions in thin walled metallic structures.

Force Field for Water Based on Neural Network.

PubMed

Wang, Hao; Yang, Weitao

2018-05-18

We developed a novel neural network based force field for water based on training with high level ab initio theory. The force field was built based on electrostatically embedded many-body expansion method truncated at binary interactions. Many-body expansion method is a common strategy to partition the total Hamiltonian of large systems into a hierarchy of few-body terms. Neural networks were trained to represent electrostatically embedded one-body and two-body interactions, which require as input only one and two water molecule calculations at the level of ab initio electronic structure method CCSD/aug-cc-pVDZ embedded in the molecular mechanics water environment, making it efficient as a general force field construction approach. Structural and dynamic properties of liquid water calculated with our force field show good agreement with experimental results. We constructed two sets of neural network based force fields: non-polarizable and polarizable force fields. Simulation results show that the non-polarizable force field using fixed TIP3P charges has already behaved well, since polarization effects and many-body effects are implicitly included due to the electrostatic embedding scheme. Our results demonstrate that the electrostatically embedded many-body expansion combined with neural network provides a promising and systematic way to build the next generation force fields at high accuracy and low computational costs, especially for large systems.

Ultrasonically-assisted Thermal Stir Welding System

NASA Technical Reports Server (NTRS)

Ding, R. Jeffrey (Inventor)

2014-01-01

A welding head assembly has a work piece disposed between its containment plates' opposing surfaces with the work piece being maintained in a plastic state thereof at least in a vicinity of the welding head assembly's stir rod as the rod is rotated about its longitudinal axis. The welding head assembly and the work piece experience relative movement there between in a direction perpendicular to the rod's longitudinal axis as the work piece is subjected to a compressive force applied by the containment plates. A first source coupled to the first containment plate applies a first ultrasonic wave thereto such that the first ultrasonic wave propagates parallel to the direction of relative movement. A second source coupled to the second containment plate applies a second ultrasonic wave thereto such that the second ultrasonic wave propagates parallel to the direction of relative movement.propagates parallel to the direction of relative movement.

Model Prediction Results for 2007 Ultrasonic Benchmark Problems

NASA Astrophysics Data System (ADS)

Kim, Hak-Joon; Song, Sung-Jin

2008-02-01

The World Federation of NDE Centers (WFNDEC) has addressed two types of problems for the 2007 ultrasonic benchmark problems: prediction of side-drilled hole responses with 45° and 60° refracted shear waves, and effects of surface curvatures on the ultrasonic responses of flat-bottomed hole. To solve this year's ultrasonic benchmark problems, we applied multi-Gaussian beam models for calculation of ultrasonic beam fields and the Kirchhoff approximation and the separation of variables method for calculation of far-field scattering amplitudes of flat-bottomed holes and side-drilled holes respectively In this paper, we present comparison results of model predictions to experiments for side-drilled holes and discuss effect of interface curvatures on ultrasonic responses by comparison of peak-to-peak amplitudes of flat-bottomed hole responses with different sizes and interface curvatures.

[Ultrasonic scissors. New vs resterilized instruments].

PubMed

Gärtner, D; Münz, K; Hückelheim, E; Hesse, U

2008-02-01

The aim of this study was to compare reliability in handling and function of resterilized and single-use disposable ultrasonic scissors. In a prospective randomized study, the surgeon blindly tested new and resterilized ultrasonographic scissors. The parameters were force of activation, cutting effect, coagulation effect, error messages, and disturbing generator noise. Fifty-one new and 49 resterilized instruments in 94 operations were evaluated. The differences in force of activation, cutting effect, and coagulation were not significant. Error messages and disturbing noises were rare in both groups. Six new instruments and two resterilized instruments had to be exchanged because of problems during surgery. This study demonstrates comparable reliability in function and handling of resterilized and new ultrasonic scissors. The use of resterilized instruments leads to distinctly reduced costs and could contribute to efficiency in laparoscopic surgery.

Recent Developments and Applications of the CHARMM force fields

PubMed Central

Zhu, Xiao; Lopes, Pedro E.M.; MacKerell, Alexander D.

2011-01-01

Empirical force fields commonly used to describe the condensed phase properties of complex systems such as biological macromolecules are continuously being updated. Improvements in quantum mechanical (QM) methods used to generate target data, availability of new experimental target data, incorporation of new classes of compounds and new theoretical developments (eg. polarizable methods) make force-field development a dynamic domain of research. Accordingly, a number of improvements and extensions of the CHARMM force fields have occurred over the years. The objective of the present review is to provide an up-to-date overview of the CHARMM force fields. A limited presentation on the historical aspects of force fields will be given, including underlying methodologies and principles, along with a brief description of the strategies used for parameter development. This is followed by information on the CHARMM additive and polarizable force fields, including examples of recent applications of those force fields. PMID:23066428

The near-field acoustic levitation of high-mass rotors

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

Hong, Z. Y.; Lü, P.; Geng, D. L.

2014-10-15

Here we demonstrate that spherical rotors with 40 mm diameter and 0-1 kg mass can be suspended more than tens of micrometers away from an ultrasonically vibrating concave surface by near-field acoustic radiation force. Their rotating speeds exceed 3000 rpm. An acoustic model has been developed to evaluate the near-field acoustic radiation force and the resonant frequencies of levitation system. This technique has potential application in developing acoustic gyroscope.

The near-field acoustic levitation of high-mass rotors.

PubMed

Hong, Z Y; Lü, P; Geng, D L; Zhai, W; Yan, N; Wei, B

2014-10-01

Here we demonstrate that spherical rotors with 40 mm diameter and 0-1 kg mass can be suspended more than tens of micrometers away from an ultrasonically vibrating concave surface by near-field acoustic radiation force. Their rotating speeds exceed 3000 rpm. An acoustic model has been developed to evaluate the near-field acoustic radiation force and the resonant frequencies of levitation system. This technique has potential application in developing acoustic gyroscope.

Analytical ultrasonics for structural materials

NASA Technical Reports Server (NTRS)

Kupperman, D. S.

1986-01-01

The application of ultrasonic velocity and attenuation measurements to characterize the microstructure of structural materials is discussed. Velocity measurements in cast stainless steel are correlated with microstructural variations ranging from equiaxed (elastically isotropic) to columnar (elastically anisotropic) grain structure. The effect of the anisotropic grain structure on the deviation of ultrasonic waves in cast stainless steel is also reported. Field-implementable techniques for distinguishing equiaxed from columnar grain structures in cast strainless steel structural members are presented. The application of ultrasonic velocity measurements to characterize structural ceramics in the green state is also discussed.

FE Simulation of Ultrasonic Back Extrusion

NASA Astrophysics Data System (ADS)

Rosochowska, Malgorzata; Rosochowski, Andrzej

2007-04-01

The main benefit of using ultrasonic vibrations in metal forming arises from the reduction in the mean forming force. In order to examine mechanisms responsible for this effect FE simulations of ultrasonic back extrusion using ABAQUS/Explicit were carried out. In two analysed models, vibration of frequency of 20 kHz was imposed on the punch. In the first model, the die and the punch were defined as rigid bodies and in the second, the punch was modelled as an elastic body, this being the innovative feature of the research. The punch vibrated in a longitudinal mode. Simulations were performed for amplitude of vibrations of 8.5μm and different punch velocities for both friction and frictionless conditions. Results showed that the amplitude and the mean forming force depended on the process velocity. Further, the decrease in the mean forming force might be partly explained by the reduction in the friction force due to changes in the direction and magnitude of the frictional stress over the vibration period. A lower deflection of the elastic punch under oscillatory conditions was observed, which was an indirect evidence of the reduced forming force. It was also observed that amplitude of vibrations at the working surface of the elastic punch was smaller than the applied one.

Lorentz force electrical impedance tomography using magnetic field measurements.

PubMed

Zengin, Reyhan; Gençer, Nevzat Güneri

2016-08-21

In this study, magnetic field measurement technique is investigated to image the electrical conductivity properties of biological tissues using Lorentz forces. This technique is based on electrical current induction using ultrasound together with an applied static magnetic field. The magnetic field intensity generated due to induced currents is measured using two coil configurations, namely, a rectangular loop coil and a novel xy coil pair. A time-varying voltage is picked-up and recorded while the acoustic wave propagates along its path. The forward problem of this imaging modality is defined as calculation of the pick-up voltages due to a given acoustic excitation and known body properties. Firstly, the feasibility of the proposed technique is investigated analytically. The basic field equations governing the behaviour of time-varying electromagnetic fields are presented. Secondly, the general formulation of the partial differential equations for the scalar and magnetic vector potentials are derived. To investigate the feasibility of this technique, numerical studies are conducted using a finite element method based software. To sense the pick-up voltages a novel coil configuration (xy coil pairs) is proposed. Two-dimensional numerical geometry with a 16-element linear phased array (LPA) ultrasonic transducer (1 MHz) and a conductive body (breast fat) with five tumorous tissues is modeled. The static magnetic field is assumed to be 4 Tesla. To understand the performance of the imaging system, the sensitivity matrix is analyzed. The sensitivity matrix is obtained for two different locations of LPA transducer with eleven steering angles from [Formula: see text] to [Formula: see text] at intervals of [Formula: see text]. The characteristics of the imaging system are shown with the singular value decomposition (SVD) of the sensitivity matrix. The images are reconstructed with the truncated SVD algorithm. The signal-to-noise ratio in measurements is assumed 80 d

Lorentz force electrical impedance tomography using magnetic field measurements

NASA Astrophysics Data System (ADS)

Zengin, Reyhan; Güneri Gençer, Nevzat

2016-08-01

In this study, magnetic field measurement technique is investigated to image the electrical conductivity properties of biological tissues using Lorentz forces. This technique is based on electrical current induction using ultrasound together with an applied static magnetic field. The magnetic field intensity generated due to induced currents is measured using two coil configurations, namely, a rectangular loop coil and a novel xy coil pair. A time-varying voltage is picked-up and recorded while the acoustic wave propagates along its path. The forward problem of this imaging modality is defined as calculation of the pick-up voltages due to a given acoustic excitation and known body properties. Firstly, the feasibility of the proposed technique is investigated analytically. The basic field equations governing the behaviour of time-varying electromagnetic fields are presented. Secondly, the general formulation of the partial differential equations for the scalar and magnetic vector potentials are derived. To investigate the feasibility of this technique, numerical studies are conducted using a finite element method based software. To sense the pick-up voltages a novel coil configuration (xy coil pairs) is proposed. Two-dimensional numerical geometry with a 16-element linear phased array (LPA) ultrasonic transducer (1 MHz) and a conductive body (breast fat) with five tumorous tissues is modeled. The static magnetic field is assumed to be 4 Tesla. To understand the performance of the imaging system, the sensitivity matrix is analyzed. The sensitivity matrix is obtained for two different locations of LPA transducer with eleven steering angles from -{{25}\\circ} to {{25}\\circ} at intervals of {{5}\\circ} . The characteristics of the imaging system are shown with the singular value decomposition (SVD) of the sensitivity matrix. The images are reconstructed with the truncated SVD algorithm. The signal-to-noise ratio in measurements is assumed 80 dB. Simulation studies

Ultrasonic control of ceramic membrane fouling by particles: effect of ultrasonic factors.

PubMed

Chen, Dong; Weavers, Linda K; Walker, Harold W

2006-07-01

Ultrasound at 20 kHz was applied to a cross-flow ultrafiltration system with gamma-alumina membranes in the presence of colloidal silica particles to systematically investigate how ultrasonic factors affect membrane cleaning. Based on imaging of the ultrasonic cavitation region, optimal cleaning occurred when the membrane was outside but close to the cavitation region. Increasing the filtration pressure increased the compressive forces driving cavitation collapse and resulted in fewer cavitation bubbles absorbing and scattering sound waves and increasing sound wave penetration. However, an increased filtration pressure also resulted in greater permeation drag, and subsequently less improvement in permeate flux compared to low filtration pressure. Finally, pulsed ultrasound with short pulse intervals resulted in permeate flux improvement close to that of continuous sonication.

Analysis of ultrasonically rotating droplet using moving particle semi-implicit and distributed point source methods

NASA Astrophysics Data System (ADS)

Wada, Yuji; Yuge, Kohei; Tanaka, Hiroki; Nakamura, Kentaro

2016-07-01

Numerical analysis of the rotation of an ultrasonically levitated droplet with a free surface boundary is discussed. The ultrasonically levitated droplet is often reported to rotate owing to the surface tangential component of acoustic radiation force. To observe the torque from an acoustic wave and clarify the mechanism underlying the phenomena, it is effective to take advantage of numerical simulation using the distributed point source method (DPSM) and moving particle semi-implicit (MPS) method, both of which do not require a calculation grid or mesh. In this paper, the numerical treatment of the viscoacoustic torque, which emerges from the viscous boundary layer and governs the acoustical droplet rotation, is discussed. The Reynolds stress traction force is calculated from the DPSM result using the idea of effective normal particle velocity through the boundary layer and input to the MPS surface particles. A droplet levitated in an acoustic chamber is simulated using the proposed calculation method. The droplet is vertically supported by a plane standing wave from an ultrasonic driver and subjected to a rotating sound field excited by two acoustic sources on the side wall with different phases. The rotation of the droplet is successfully reproduced numerically and its acceleration is discussed and compared with those in the literature.

Recent advances in ultrasonic treatment: Challenges and field applications for controlling harmful algal blooms (HABs).

PubMed

Park, Jungsu; Church, Jared; Son, Younggyu; Kim, Keug-Tae; Lee, Woo Hyoung

2017-09-01

Algal blooms are a naturally occurring phenomenon which can occur in both freshwater and saltwater. However, due to excess nutrient loading in water bodies (e.g. agricultural runoff and industrial activities), harmful algal blooms (HABs) have become an increasing issue globally, and can even cause health effects in humans due to the release of cyanotoxins. Among currently available treatment methods, sonication has received increasing attention for algal control because of its low impact on ecosystems and the environment. The effects of ultrasound on algal cells are well understood and operating parameter such as frequency, intensity, and duration of exposure has been well studied. However, most studies have been limited to laboratory data interpretation due to complicated environmental conditions in the field. Only a few field and pilot tests in small reservoirs were reported and the applicability of ultrasound for HABs prevention and control is still under question. There is a lack of information on the upscaling of ultrasonication devices for HAB control on larger water bodies, considering field influencing factors such as rainfall, light intensity/duration, temperature, water flow, nutrients loading, and turbidity. In this review article, we address the challenges and field considerations of ultrasonic applications for controlling algal blooms. An extensive literature survey, from the fundamentals of ultrasound techniques to recent ultrasound laboratory and field studies, has been thoroughly conducted and summarized to identify future technical expectations for field applications. Case studies investigating spatial distribution of frequency and pressure during sonication are highlighted with future implications. Copyright © 2017 Elsevier B.V. All rights reserved.

The effect of force feedback delay on stiffness perception and grip force modulation during tool-mediated interaction with elastic force fields

PubMed Central

Karniel, Amir; Nisky, Ilana

2015-01-01

During interaction with objects, we form an internal representation of their mechanical properties. This representation is used for perception and for guiding actions, such as in precision grip, where grip force is modulated with the predicted load forces. In this study, we explored the relationship between grip force adjustment and perception of stiffness during interaction with linear elastic force fields. In a forced-choice paradigm, participants probed pairs of virtual force fields while grasping a force sensor that was attached to a haptic device. For each pair, they were asked which field had higher level of stiffness. In half of the pairs, the force feedback of one of the fields was delayed. Participants underestimated the stiffness of the delayed field relatively to the nondelayed, but their grip force characteristics were similar in both conditions. We analyzed the magnitude of the grip force and the lag between the grip force and the load force in the exploratory probing movements within each trial. Right before answering which force field had higher level of stiffness, both magnitude and lag were similar between delayed and nondelayed force fields. These results suggest that an accurate internal representation of environment stiffness and time delay was used for adjusting the grip force. However, this representation did not help in eliminating the bias in stiffness perception. We argue that during performance of a perceptual task that is based on proprioceptive feedback, separate neural mechanisms are responsible for perception and action-related computations in the brain. PMID:25717155

The effect of force feedback delay on stiffness perception and grip force modulation during tool-mediated interaction with elastic force fields.

PubMed

Leib, Raz; Karniel, Amir; Nisky, Ilana

2015-05-01

During interaction with objects, we form an internal representation of their mechanical properties. This representation is used for perception and for guiding actions, such as in precision grip, where grip force is modulated with the predicted load forces. In this study, we explored the relationship between grip force adjustment and perception of stiffness during interaction with linear elastic force fields. In a forced-choice paradigm, participants probed pairs of virtual force fields while grasping a force sensor that was attached to a haptic device. For each pair, they were asked which field had higher level of stiffness. In half of the pairs, the force feedback of one of the fields was delayed. Participants underestimated the stiffness of the delayed field relatively to the nondelayed, but their grip force characteristics were similar in both conditions. We analyzed the magnitude of the grip force and the lag between the grip force and the load force in the exploratory probing movements within each trial. Right before answering which force field had higher level of stiffness, both magnitude and lag were similar between delayed and nondelayed force fields. These results suggest that an accurate internal representation of environment stiffness and time delay was used for adjusting the grip force. However, this representation did not help in eliminating the bias in stiffness perception. We argue that during performance of a perceptual task that is based on proprioceptive feedback, separate neural mechanisms are responsible for perception and action-related computations in the brain. Copyright © 2015 the American Physiological Society.

The Effect of Non-Uniform Temperature and Velocity Fields on Long Range Ultrasonic Measurement Systems in MYRRHA

NASA Astrophysics Data System (ADS)

Van De Wyer, Nicolas; Schram, Christophe; Van Dyck, Dries; Dierckx, Marc

2017-02-01

SCK·CEN, the Belgian Nuclear Research Center, is developing MYRRHA, a generation IV liquid metal cooled nuclear research reactor. As the liquid metal coolant is opaque to light, normal visual feedback during fuel manipulations is not available and must therefore be replaced by a system that is not hindered by the opacity of the coolant. In this respect ultrasonic based instrumentation is under development at SCK·CEN to provide feedback during operations under liquid metal. One of the tasks that will be tackled using ultrasound is the detection and localization of a potentially lost fuel assembly. The development of this localization tool is detailed in this paper. In this application, the distance between ultrasonic sensor and target may be as large as 2.5m. At these distances, non uniform velocity and temperature fields in the liquid metal potentially influence the propagation of the ultrasonic signals, affecting the performance of the ultrasonic systems. In this paper, we investigate how relevant temperature and velocity gradients inside the liquid metal influence the propagation of ultrasonic waves. The effect of temperature and velocity gradients are simulated by means of a newly developed numerical raytracing model. The performance of the model is validated by dedicated water experiments. The setup is capable of creating velocity and temperature gradients representative for MYRRHA conditions. Once validated in water, the same model is used to make predictions for the effect of gradients in the MYRRHA liquid metal environment.

Measurement of ultrasonic fields in transparent media using a scanning differential interferometer

NASA Technical Reports Server (NTRS)

Dockery, G. D.; Claus, R. O.

1983-01-01

An experimental system for the detection of three dimensional acoustic fields in optically transparent media using a dual beam differential interferometer is described. In this system, two coherent, parallel, focused laser beams are passed through the specimen and the interference fringe pattern which results when these beams are combined shifts linearly by an amount which is related to the optical pathlength difference between the two beams. It is shown that for small signals, the detector output is directly proportional to the amplitude of the acoustic field integrated along the optical beam path through the specimen. A water tank and motorized optical platform were constructed to allow these dual beams to be scanned through an ultrasonic field generated by a piezoelectric transducer at various distances from the transducer. Scan data for the near, Fresnel, and far zones of a uniform, circular transducer are presented and an algorithm for constructing the radial field profile from this integrated optical data, assuming cylindrical symmetry, is described.

Ultrasonic Bat Deterrent Technology

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

Kinzie, Kevin; Rominger, Kathryn M.

The project objective was to advance the development and testing of an Near commercial bat-deterrent system with a goal to increase the current GE deterrent system effectiveness to over 50% with broad species applicability. Additionally, the research supported by this program has provided insights into bat behavior and ultrasonic deterrent design that had not previously been explored. Prior research and development had demonstrated the effectiveness of a commercial-grade, air-powered, ultrasonic bat deterrent to be between 30-50% depending upon the species of bat. However, the previous research provided limited insight into the behavioral responses of bats in the presence of ultrasonicmore » deterrent sound fields that could be utilized to improve effectiveness. A unique bat flight room was utilized to observe the behavioral characteristics of bats in the presence of ultrasonic sound fields. Behavioral testing in the bat flight facility demonstrated that ultrasonic sounds similar to those produced by the GE deterrent influenced the activities and behaviors, primarily those associated with foraging, of the species exposed. The study also indicated that continuous and pulsing ultrasonic signals had a similar effect on the bats, and confirmed that as ultrasonic sounds attenuate, their influence on the bats’ activities and behavior decreases. Ground testing at Wolf Ridge Wind, LLC and Shawnee National Forest assessed both continuous and pulsing deterrent signals emitted from the GE deterrent system and further enhanced the behavioral understanding of bats in the presence of the deterrent. With these data and observations, the existing 4-nozzle continuous, or steady, emission ultrasonic system was redesigned to a 6-nozzle system that could emit a pulsing signal covering a larger air space around a turbine. Twelve GE 1.6-100 turbines were outfitted with the deterrent system and a formal three-month field study was performed using daily carcass searches beneath the 12

Ultrasonic bubbles in medicine: influence of the shell.

PubMed

Postema, Michiel; Schmitz, Georg

2007-04-01

Ultrasound contrast agents consist of microscopically small bubbles encapsulated by an elastic shell. These microbubbles oscillate upon ultrasound insonification, and demonstrate highly nonlinear behavior, ameliorating their detectability. (Potential) medical applications involving the ultrasonic disruption of contrast agent microbubble shells include release-burst imaging, localized drug delivery, and noninvasive blood pressure measurement. To develop and enhance these techniques, predicting the cracking behavior of ultrasound-insonified encapsulated microbubbles has been of importance. In this paper, we explore microbubble behavior in an ultrasound field, with special attention to the influence of the bubble shell. A bubble in a sound field can be considered a forced damped harmonic oscillator. For encapsulated microbubbles, the presence of a shell has to be taken into account. In models, an extra damping parameter and a shell stiffness parameter have been included, assuming that Hooke's Law holds for the bubble shell. At high acoustic amplitudes, disruptive phenomena have been observed, such as microbubble fragmentation and ultrasonic cracking. We analyzed the occurrence of ultrasound contrast agent fragmentation, by simulating the oscillating behavior of encapsulated microbubbles with various sizes in a harmonic acoustic field. Fragmentation occurs exclusively during the collapse phase and occurs if the kinetic energy of the collapsing microbubble is greater than the instantaneous bubble surface energy, provided that surface instabilities have grown big enough to allow for break-up. From our simulations it follows that the Blake critical radius is not a good approximation for a fragmentation threshold. We demonstrated how the phase angle differences between a damped radially oscillating bubble and an incident sound field depend on shell parameters.

Graphene electrostatic microphone and ultrasonic radio

PubMed Central

Zhou, Qin; Zheng, Jinglin; Onishi, Seita; Crommie, M. F.; Zettl, Alex K.

2015-01-01

We present a graphene-based wideband microphone and a related ultrasonic radio that can be used for wireless communication. It is shown that graphene-based acoustic transmitters and receivers have a wide bandwidth, from the audible region (20∼20 kHz) to the ultrasonic region (20 kHz to at least 0.5 MHz). Using the graphene-based components, we demonstrate efficient high-fidelity information transmission using an ultrasonic band centered at 0.3 MHz. The graphene-based microphone is also shown to be capable of directly receiving ultrasound signals generated by bats in the field, and the ultrasonic radio, coupled to electromagnetic (EM) radio, is shown to function as a high-accuracy rangefinder. The ultrasonic radio could serve as a useful addition to wireless communication technology where the propagation of EM waves is difficult. PMID:26150483

Ultrasonic Linear Motor with Two Independent Vibrations

NASA Astrophysics Data System (ADS)

Muneishi, Takeshi; Tomikawa, Yoshiro

2004-09-01

We propose a new structure of an ultrasonic linear motor in order to solve the problems of high-power ultrasonic linear motors that drive the XY-stage for electron beam equipment and to expand the application fields of the motor. We pay special attention to the following three points: (1) the vibration in two directions of the ultrasonic linear motor should not influence mutually each other, (2) the vibration in two directions should be divided into the stage traveling direction and the pressing direction of the ultrasonic linear motor, and (3) the rigidity of the stage traveling direction of the ultrasonic linear motor should be increased. As a result, the supporting method of ultrasonic linear motors is simplified. The efficiency of the motor is improved and temperature rise is reduced. The stage position drift is also improved.

Ultrasonic Processing of Materials

NASA Astrophysics Data System (ADS)

Han, Qingyou

2015-08-01

Irradiation of high-energy ultrasonic vibration in metals and alloys generates oscillating strain and stress fields in solids, and introduces nonlinear effects such as cavitation, acoustic streaming, and radiation pressure in molten materials. These nonlinear effects can be utilized to assist conventional material processing processes. This article describes recent research at Oak Ridge National Labs and Purdue University on using high-intensity ultrasonic vibrations for degassing molten aluminum, processing particulate-reinforced metal matrix composites, refining metals and alloys during solidification process and welding, and producing bulk nanostructures in solid metals and alloys. Research results suggest that high-intensity ultrasonic vibration is capable of degassing and dispersing small particles in molten alloys, reducing grain size during alloy solidification, and inducing nanostructures in solid metals.

Trapping and patterning of large particles and cells in a 1D ultrasonic standing wave.

PubMed

Habibi, Ruhollah; Devendran, Citsabehsan; Neild, Adrian

2017-09-26

The use of ultrasound for trapping and patterning particles or cells in microfluidic systems is usually confined to particles which are considerably smaller than the acoustic wavelength. In this regime, the primary forces result in particle clustering at certain locations in the sound field, whilst secondary forces, those arising due to particle-particle interaction forces, assist this clustering process. Using a wavelength closer to the size of the particles allows one particle to be held at each primary force minimum. However, to achieve this, the influence of secondary forces needs to be carefully studied, as inter-particle attraction is highly undesirable. Here, we study the effect of particle size and material properties on both the primary and secondary acoustic forces as the particle diameter is increased towards the wavelength of the 1-dimensional axisymmetric ultrasonic field. We show that the resonance frequencies of the solid sphere have an important role in the resulting secondary forces which leads to a narrow band of frequencies that allow the patterning of large particles in a 1-D array. Knowledge regarding the naturally existent secondary forces would allow for system designs enabling single cell studies to be conducted in a biologically safe manner.

Ultrasonically assisted turning of aviation materials: simulations and experimental study.

PubMed

Babitsky, V I; Mitrofanov, A V; Silberschmidt, V V

2004-04-01

Ultrasonically assisted turning of modern aviation materials is conducted with ultrasonic vibration (frequency f approximately 20 kHz, amplitude a approximately 15 microm) superimposed on the cutting tool movement. An autoresonant control system is used to maintain the stable nonlinear resonant mode of vibration throughout the cutting process. Experimental comparison of roughness and roundness for workpieces machined conventionally and with the superimposed ultrasonic vibration, results of high-speed filming of the turning process and nanoindentation analyses of the microstructure of the machined material are presented. The suggested finite-element model provides numerical comparison between conventional and ultrasonic turning of Inconel 718 in terms of stress/strain state, cutting forces and contact conditions at the workpiece/tool interface.

Lorentz Body Force Induced by Traveling Magnetic Fields

NASA Technical Reports Server (NTRS)

Volz, M. P.; Mazuruk, K.

2003-01-01

The Lorentz force induced by a traveling magnetic field (TMF) in a cylindrical container has been calculated. The force can be used to control flow in dectrically conducting melts and the direction of the magnetic field and resulting flow can be reversed. A TMF can be used to partially cancel flow driven by buoyancy. The penetration of the field into the cylinder decreases as the frequency increases, and there exists an optimal value of frequency for which the resulting force is a maximum. Expressions for the Lorentz force in the limiting cases of low frequency and infinite cylinder are also given and compared to the numerical calculations.

An approach to improving transporting velocity in the long-range ultrasonic transportation of micro-particles

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

Meng, Jianxin; Mei, Deqing, E-mail: meidq-127@zju.edu.cn; Yang, Keji

2014-08-14

In existing ultrasonic transportation methods, the long-range transportation of micro-particles is always realized in step-by-step way. Due to the substantial decrease of the driving force in each step, the transportation is lower-speed and stair-stepping. To improve the transporting velocity, a non-stepping ultrasonic transportation approach is proposed. By quantitatively analyzing the acoustic potential well, an optimal region is defined as the position, where the largest driving force is provided under the condition that the driving force is simultaneously the major component of an acoustic radiation force. To keep the micro-particle trapped in the optimal region during the whole transportation process, anmore » approach of optimizing the phase-shifting velocity and phase-shifting step is adopted. Due to the stable and large driving force, the displacement of the micro-particle is an approximately linear function of time, instead of a stair-stepping function of time as in the existing step-by-step methods. An experimental setup is also developed to validate this approach. Long-range ultrasonic transportations of zirconium beads with high transporting velocity were realized. The experimental results demonstrated that this approach is an effective way to improve transporting velocity in the long-range ultrasonic transportation of micro-particles.« less

A new approach to ultrasonic elasticity imaging

NASA Astrophysics Data System (ADS)

Hoerig, Cameron; Ghaboussi, Jamshid; Fatemi, Mostafa; Insana, Michael F.

2016-04-01

Biomechanical properties of soft tissues can provide information regarding the local health status. Often the cells in pathological tissues can be found to form a stiff extracellular environment, which is a sensitive, early diagnostic indicator of disease. Quasi-static ultrasonic elasticity imaging provides a way to image the mechanical properties of tissues. Strain images provide a map of the relative tissue stiffness, but ambiguities and artifacts limit its diagnostic value. Accurately mapping intrinsic mechanical parameters of a region may increase diagnostic specificity. However, the inverse problem, whereby force and displacement estimates are used to estimate a constitutive matrix, is ill conditioned. Our method avoids many of the issues involved with solving the inverse problem, such as unknown boundary conditions and incomplete information about the stress field, by building an empirical model directly from measured data. Surface force and volumetric displacement data gathered during imaging are used in conjunction with the AutoProgressive method to teach artificial neural networks the stress-strain relationship of tissues. The Autoprogressive algorithm has been successfully used in many civil engineering applications and to estimate ocular pressure and corneal stiffness; here, we are expanding its use to any tissues imaged ultrasonically. We show that force-displacement data recorded with an ultrasound probe and displacements estimated at a few points in the imaged region can be used to estimate the full stress and strain vectors throughout an entire model while only assuming conservation laws. We will also demonstrate methods to parameterize the mechanical properties based on the stress-strain response of trained neural networks. This method is a fundamentally new approach to medical elasticity imaging that for the first time provides full stress and strain vectors from one set of observation data.

Tailor-made force fields for crystal-structure prediction.

PubMed

Neumann, Marcus A

2008-08-14

A general procedure is presented to derive a complete set of force-field parameters for flexible molecules in the crystalline state on a case-by-case basis. The force-field parameters are fitted to the electrostatic potential as well as to accurate energies and forces generated by means of a hybrid method that combines solid-state density functional theory (DFT) calculations with an empirical van der Waals correction. All DFT calculations are carried out with the VASP program. The mathematical structure of the force field, the generation of reference data, the choice of the figure of merit, the optimization algorithm, and the parameter-refinement strategy are discussed in detail. The approach is applied to cyclohexane-1,4-dione, a small flexible ring. The tailor-made force field obtained for cyclohexane-1,4-dione is used to search for low-energy crystal packings in all 230 space groups with one molecule per asymmetric unit, and the most stable crystal structures are reoptimized in a second step with the hybrid method. The experimental crystal structure is found as the most stable predicted crystal structure both with the tailor-made force field and the hybrid method. The same methodology has also been applied successfully to the four compounds of the fourth CCDC blind test on crystal-structure prediction. For the five aforementioned compounds, the root-mean-square deviations between lattice energies calculated with the tailor-made force fields and the hybrid method range from 0.024 to 0.053 kcal/mol per atom around an average value of 0.034 kcal/mol per atom.

Effects of Ultrasonics-Assisted Face Milling on Surface Integrity and Fatigue Life of Ni-Alloy 718

NASA Astrophysics Data System (ADS)

Suárez, Alfredo; Veiga, Fernando; de Lacalle, Luis N. López; Polvorosa, Roberto; Lutze, Steffen; Wretland, Anders

2016-11-01

This work investigates the effects of ultrasonic vibration-assisted milling on important aspects such us material surface integrity, tool wear, cutting forces and fatigue resistance. As an alternative to natural application of ultrasonic milling in brittle materials, in this study, ultrasonics have been applied to a difficult-to-cut material, Alloy 718, very common in high-temperature applications. Results show alterations in the sub-superficial part of the material which could influence fatigue resistance of the material, as it has been observed in a fatigue test campaign of specimens obtained with the application of ultrasonic milling in comparison with another batch obtained applying conventional milling. Tool wear pattern was found to be very similar for both milling technologies, concluding the study with the analysis of cutting forces, exhibiting certain improvement in case of the application of ultrasonic milling with a more stable evolution.

Ultrasonic weld testing.

DOT National Transportation Integrated Search

1970-12-01

The study was broken down into two phases. Phase I consisted of a laboratory investigation of test specimens to determine the reliability of the ultrasonic equipment and testing procedure. Phase II was a field study where the knowledge, skills and ab...

Intrinsically Disordered Protein Specific Force Field CHARMM36IDPSFF.

PubMed

Liu, Hao; Song, Dong; Lu, Hui; Luo, Ray; Chen, Hai-Feng

2018-05-28

Intrinsically disordered proteins (IDPs) are closely related to various human diseases. Because IDPs lack certain tertiary structure, it is difficult to use X-ray and NMR methods to measure their structures. Therefore, molecular dynamics simulation is a useful tool to study the conformer distribution of IDPs. However, most generic protein force fields were found to be insufficient in simulations of IDPs. Here we report our development for the CHARMM community. Our residue-specific IDP force field (CHARMM36IDPSFF) was developed based on the base generic force field with CMAP corrections of for all 20 naturally occurring amino acids. Multiple tests show that the simulated chemical shifts with the newly developed force field are in quantitative agreement with NMR experiment and are more accurate than the base generic force field. Comparison of J-couplings with previous work shows that CHARMM36IDPSFF and its corresponding base generic force field have their own advantages. In addition, CHARMM36IDPSFF simulations also agree with experiment for SAXS profiles and radii of gyration of IDPs. Detailed analysis shows that CHARMM36IDPSFF can sample more diverse and disordered conformers. These findings confirm that the newly developed force field can improve the balance of accuracy and efficiency for the conformer sampling of IDPs. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Controlling Casimir force via coherent driving field

NASA Astrophysics Data System (ADS)

Ahmad, Rashid; Abbas, Muqaddar; Ahmad, Iftikhar; Qamar, Sajid

2016-04-01

A four level atom-field configuration is used to investigate the coherent control of Casimir force between two identical plates made up of chiral atomic media and separated by vacuum of width d. The electromagnetic chirality-induced negative refraction is obtained via atomic coherence. The behavior of Casimir force is investigated using Casimir-Lifshitz formula. It is noticed that Casimir force can be switched from repulsive to attractive and vice versa via coherent control of the driving field. This switching feature provides new possibilities of using the repulsive Casimir force in the development of new emerging technologies, such as, micro-electro-mechanical and nano-electro-mechanical systems, i.e., MEMS and NEMS, respectively.

An experimental study of ultrasonic vibration and the penetration of granular material

PubMed Central

Firstbrook, David; Worrall, Kevin; Timoney, Ryan; Suñol, Francesc; Gao, Yang

2017-01-01

This work investigates the potential use of direct ultrasonic vibration as an aid to penetration of granular material. Compared with non-ultrasonic penetration, required forces have been observed to reduce by an order of magnitude. Similarly, total consumed power can be reduced by up to 27%, depending on the substrate and ultrasonic amplitude used. Tests were also carried out in high-gravity conditions, displaying a trend that suggests these benefits could be leveraged in lower gravity regimes. PMID:28293134

Prediction of Mechanical Properties of Polymers With Various Force Fields

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Clancy, Thomas C.; Gates, Thomas S.

2005-01-01

The effect of force field type on the predicted elastic properties of a polyimide is examined using a multiscale modeling technique. Molecular Dynamics simulations are used to predict the atomic structure and elastic properties of the polymer by subjecting a representative volume element of the material to bulk and shear finite deformations. The elastic properties of the polyimide are determined using three force fields: AMBER, OPLS-AA, and MM3. The predicted values of Young s modulus and shear modulus of the polyimide are compared with experimental values. The results indicate that the mechanical properties of the polyimide predicted with the OPLS-AA force field most closely matched those from experiment. The results also indicate that while the complexity of the force field does not have a significant effect on the accuracy of predicted properties, small differences in the force constants and the functional form of individual terms in the force fields determine the accuracy of the force field in predicting the elastic properties of the polyimide.

The electromagnetic force field, fluid flow field and temperature profiles in levitated metal droplets

NASA Technical Reports Server (NTRS)

El-Kaddah, N.; Szekely, J.

1982-01-01

A mathematical representation was developed for the electromagnetic force field, the flow field, the temperature field (and for transport controlled kinetics), in a levitation melted metal droplet. The technique of mutual inductances was employed for the calculation of the electromagnetic force field, while the turbulent Navier - Stokes equations and the turbulent convective transport equations were used to represent the fluid flow field, the temperature field and the concentration field. The governing differential equations, written in spherical coordinates, were solved numerically. The computed results were in good agreement with measurements, regarding the lifting force, and the average temperature of the specimen and carburization rates, which were transport controlled.

Hierarchical atom type definitions and extensible all-atom force fields.

PubMed

Jin, Zhao; Yang, Chunwei; Cao, Fenglei; Li, Feng; Jing, Zhifeng; Chen, Long; Shen, Zhe; Xin, Liang; Tong, Sijia; Sun, Huai

2016-03-15

The extensibility of force field is a key to solve the missing parameter problem commonly found in force field applications. The extensibility of conventional force fields is traditionally managed in the parameterization procedure, which becomes impractical as the coverage of the force field increases above a threshold. A hierarchical atom-type definition (HAD) scheme is proposed to make extensible atom type definitions, which ensures that the force field developed based on the definitions are extensible. To demonstrate how HAD works and to prepare a foundation for future developments, two general force fields based on AMBER and DFF functional forms are parameterized for common organic molecules. The force field parameters are derived from the same set of quantum mechanical data and experimental liquid data using an automated parameterization tool, and validated by calculating molecular and liquid properties. The hydration free energies are calculated successfully by introducing a polarization scaling factor to the dispersion term between the solvent and solute molecules. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

A force field for dynamic Cu-BTC metal-organic framework.

PubMed

Zhao, Lei; Yang, Qingyuan; Ma, Qintian; Zhong, Chongli; Mi, Jianguo; Liu, Dahuan

2011-02-01

A new force field that can describe the flexibility of Cu-BTC metal-organic framework (MOF) was developed in this work. Part of the parameters were obtained using density functional theory calculations, and the others were taken from other force fields. The new force field could reproduce well the experimental crystal structure, negative thermal expansion, vibrational properties as well as adsorption behavior in Cu-BTC. In addition, the bulk modulus of Cu-BTC was predicted using the new force field. We believe the new force field is useful in understanding the structure-property relationships for MOFs, and the approach can be extended to other MOFs.

Ponderomotive Force in the Presence of Electric Fields

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Krivorutsky, E. N.

2013-01-01

This paper presents averaged equations of particle motion in an electromagnetic wave of arbitrary frequency with its wave vector directed along the ambient magnetic field. The particle is also subjected to an E cross B drift and a background electric field slowly changing in space and acting along the magnetic field line. The fields, wave amplitude, and the wave vector depend on the coordinate along the magnetic field line. The derivations of the ponderomotive forces are done by assuming that the drift velocity in the ambient magnetic field is comparable to the particle velocity. Such a scenario leads to new ponderomotive forces, dependent on the wave magnetic field intensity, and, as a result, to the additional energy exchange between the wave and the plasma particles. It is found that the parallel electric field can lead to the change of the particle-wave energy exchange rate comparable to that produced by the previously discussed ponderomotive forces.

Improved ultrasonic standard reference blocks

NASA Technical Reports Server (NTRS)

Eitzen, D. G.

1975-01-01

A program to improve the quality, reproducibility and reliability of nondestructive testing through the development of improved ASTM-type ultrasonic reference standards is described. Reference blocks of aluminum, steel, and titanium alloys were considered. Equipment representing the state-of-the-art in laboratory and field ultrasonic equipment was obtained and evaluated. Some RF and spectral data on ten sets of ultrasonic reference blocks were taken as part of a task to quantify the variability in response from nominally identical blocks. Techniques for residual stress, preferred orientation, and microstructural measurements were refined and are applied to a reference block rejected by the manufacturer during fabrication in order to evaluate the effect of metallurgical condition on block response.

Electrochemical mechanism of tin membrane electrodeposition under ultrasonic waves.

PubMed

Nan, Tianxiang; Yang, Jianguang; Chen, Bing

2018-04-01

Tin was electrodeposited from chloride solutions using a membrane cell under ultrasonic waves. Cyclic voltammetry (CV), linear sweep voltammetry (LSV), chronoamperometry (CHR), and chronopotentiometry were applied to investigate the electrochemical mechanism of tin electrodeposition under ultrasonic field. Chronoamperometry curves showed that the initial process of tin electrodeposition followed the diffusion controlled three-dimensional nucleation and grain growth mechanism. The analysis of the cyclic voltammetry and linear sweep voltammetry diagrams showed that the application of ultrasound can change the tin membrane electro-deposition reaction from diffusion to electrochemical control, and the optimum parameters for tin electrodeposition were H + concentration 3.5 mol·L -1 , temperature 35 °C and ultrasonic power 100 W. The coupling ultrasonic field played a role in refining the grain in this process. The growth of tin crystals showed no orientation preferential, and the tin deposition showed a tendency to form a regular network structure after ultrasonic coupling. While in the absence of ultrasonic coupling, the growth of tin crystals has a high preferential orientation, and the tin deposition showed a tendency to form tin whiskers. Ultrasonic coupling was more favorable for obtaining a more compact and smoother cathode tin layer. Copyright © 2017 Elsevier B.V. All rights reserved.

Energy-based adaptive focusing of waves: application to noninvasive aberration correction of ultrasonic wavefields

PubMed Central

Herbert, Eric; Pernot, Mathieu; Montaldo, Gabriel; Fink, Mathias; Tanter, Mickael

2009-01-01

An aberration correction method based on the maximization of the wave intensity at the focus of an emitting array is presented. The potential of this new adaptive focusing technique is investigated for ultrasonic focusing in biological tissues. The acoustic intensity is maximized non invasively through the direct measurement or indirect estimation of the beam energy at the focus for a series of spatially coded emissions. For ultrasonic waves, the acoustic energy at the desired focus can be indirectly estimated from the local displacements induced in tissues by the ultrasonic radiation force of the beam. Based on the measurement of these displacements, this method allows the precise estimation of the phase and amplitude aberrations and consequently the correction of aberrations along the beam travel path. The proof of concept is first performed experimentally using a large therapeutic array with strong electronic phase aberrations (up to 2π). Displacements induced by the ultrasonic radiation force at the desired focus are indirectly estimated using the time shift of backscattered echoes recorded on the array. The phase estimation is deduced accurately using a direct inversion algorithm which reduces the standard deviation of the phase distribution from σ = 1.89 before correction to σ = 0.53 following correction. The corrected beam focusing quality is verified using a needle hydrophone. The peak intensity obtained through the aberrator is found to be −7.69 dB below the reference intensity obtained without any aberration. Using the phase correction, a sharp focus is restored through the aberrator with a relative peak intensity of −0.89 dB. The technique is tested experimentally using a linear transmit/receive array through a real aberrating layer. The array is used to automatically correct its beam quality, as it both generates the radiation force with coded excitations and indirectly estimates the acoustic intensity at the focus with speckle tracking. This

Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields.

PubMed

Matthews, James F; Beckham, Gregg T; Bergenstråhle-Wohlert, Malin; Brady, John W; Himmel, Michael E; Crowley, Michael F

2012-02-14

Molecular dynamics simulations of cellulose have recently become more prevalent due to increased interest in renewable energy applications, and many atomistic and coarse-grained force fields exist that can be applied to cellulose. However, to date no systematic comparison between carbohydrate force fields has been conducted for this important system. To that end, we present a molecular dynamics simulation study of hydrated, 36-chain cellulose Iβ microfibrils at room temperature with three carbohydrate force fields (CHARMM35, GLYCAM06, and Gromos 45a4) up to the near-microsecond time scale. Our results indicate that each of these simulated microfibrils diverge from the cellulose Iβ crystal structure to varying degrees under the conditions tested. The CHARMM35 and GLYCAM06 force fields eventually result in structures similar to those observed at 500 K with the same force fields, which are consistent with the experimentally observed high-temperature behavior of cellulose I. The third force field, Gromos 45a4, produces behavior significantly different from experiment, from the other two force fields, and from previously reported simulations with this force field using shorter simulation times and constrained periodic boundary conditions. For the GLYCAM06 force field, initial hydrogen-bond conformations and choice of electrostatic scaling factors significantly affect the rate of structural divergence. Our results suggest dramatically different time scales for convergence of properties of interest, which is important in the design of computational studies and comparisons to experimental data. This study highlights that further experimental and theoretical work is required to understand the structure of small diameter cellulose microfibrils typical of plant cellulose.

Effect of ultrasonic tip designs on intraradicular post removal.

PubMed

Aguiar, Anny Carine Barros; de Meireles, Daniely Amorim; Marques, André Augusto Franco; Sponchiado Júnior, Emílio Carlos; Garrido, Angela Delfina Bitencourt; Garcia, Lucas da Fonseca Roberti

2014-11-01

To evaluate the effect of different ultrasonic tip designs on intraradicular post removal. The crowns of forty human canine teeth were removed, and after biomechanical preparation and filling, the roots were embedded in acrylic resin blocks. The post spaces were made, and root canal molding was performed with self-cured acrylic resin. After casting (Cu-Al), the posts were cemented with zinc phosphate cement. The specimens were randomly separated into 4 groups (n = 10), as follows: G1 - no ultrasonic vibration (control); G2 - ultrasonic vibration using an elongated cylindrical-shaped and active rounded tip; G3 - ultrasonic vibration with a flattened convex and linear active tip; G4 - ultrasonic vibration with active semicircular tapered tip. Ultrasonic vibration was applied for 15 seconds on each post surface and tensile test was performed in a Universal Testing Machine (Instron 4444 - 1 mm/min). G4 presented the highest mean values, however, with no statistically significant difference in comparison to G3 (P > 0.05). G2 presented the lowest mean values with statistically significant difference to G3 and G4 (P < 0.05). Ultrasonic vibration with elongated cylindrical-shaped and active rounded tip was most effective in reducing force required for intraradicular post removal.

Force field dependent solution properties of glycine oligomers

PubMed Central

Drake, Justin A.

2015-01-01

Molecular simulations can be used to study disordered polypeptide systems and to generate hypotheses on the underlying structural and thermodynamic mechanisms that govern their function. As the number of disordered protein systems investigated with simulations increase, it is important to understand how particular force fields affect the structural properties of disordered polypeptides in solution. To this end, we performed a comparative structural analysis of Gly3 and Gly10 in aqueous solution from all-atom, microsecond MD simulations using the CHARMM 27 (C27), CHARMM 36 (C36), and Amber ff12SB force fields. For each force field, Gly3 and Gly10 were simulated for at least 300 ns and 1 μs, respectively. Simulating oligoglycines of two different lengths allows us to evaluate how force field effects depend on polypeptide length. Using a variety of structural metrics (e.g. end-to-end distance, radius of gyration, dihedral angle distributions), we characterize the distribution of oligoglycine conformers for each force field and show that each sample conformation space differently, yielding considerably different structural tendencies of the same oligoglycine model in solution. Notably, we find that C36 samples more extended oligoglycine structures than both C27 and ff12SB. PMID:25952623

Measurement of total ultrasonic power using thermal expansion and change in buoyancy of an absorbing target

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

Dubey, P. K., E-mail: premkdubey@gmail.com; Kumar, Yudhisther; Gupta, Reeta

2014-05-15

The Radiation Force Balance (RFB) technique is well established and most widely used for the measurement of total ultrasonic power radiated by ultrasonic transducer. The technique is used as a primary standard for calibration of ultrasonic transducers with relatively fair uncertainty in the low power (below 1 W) regime. In this technique, uncertainty comparatively increases in the range of few watts wherein the effects such as thermal heating of the target, cavitations, and acoustic streaming dominate. In addition, error in the measurement of ultrasonic power is also caused due to movement of absorber at relatively high radiated force which occursmore » at high power level. In this article a new technique is proposed which does not measure the balance output during transducer energized state as done in RFB. It utilizes the change in buoyancy of the absorbing target due to local thermal heating. The linear thermal expansion of the target changes the apparent mass in water due to buoyancy change. This forms the basis for the measurement of ultrasonic power particularly in watts range. The proposed method comparatively reduces uncertainty caused by various ultrasonic effects that occur at high power such as overshoot due to momentum of target at higher radiated force. The functionality of the technique has been tested and compared with the existing internationally recommended RFB technique.« less

Measurement of total ultrasonic power using thermal expansion and change in buoyancy of an absorbing target

NASA Astrophysics Data System (ADS)

Dubey, P. K.; Kumar, Yudhisther; Gupta, Reeta; Jain, Anshul; Gohiya, Chandrashekhar

2014-05-01

The Radiation Force Balance (RFB) technique is well established and most widely used for the measurement of total ultrasonic power radiated by ultrasonic transducer. The technique is used as a primary standard for calibration of ultrasonic transducers with relatively fair uncertainty in the low power (below 1 W) regime. In this technique, uncertainty comparatively increases in the range of few watts wherein the effects such as thermal heating of the target, cavitations, and acoustic streaming dominate. In addition, error in the measurement of ultrasonic power is also caused due to movement of absorber at relatively high radiated force which occurs at high power level. In this article a new technique is proposed which does not measure the balance output during transducer energized state as done in RFB. It utilizes the change in buoyancy of the absorbing target due to local thermal heating. The linear thermal expansion of the target changes the apparent mass in water due to buoyancy change. This forms the basis for the measurement of ultrasonic power particularly in watts range. The proposed method comparatively reduces uncertainty caused by various ultrasonic effects that occur at high power such as overshoot due to momentum of target at higher radiated force. The functionality of the technique has been tested and compared with the existing internationally recommended RFB technique.

Ultrasonic Welding of Hybrid Joints

NASA Astrophysics Data System (ADS)

Wagner, Guntram; Balle, Frank; Eifler, Dietmar

2012-03-01

A central research field of the Institute of Materials Science and Engineering at the University of Kaiserslautern (WKK), Germany, is the realization of innovative hybrid joints by ultrasonic metal welding. This article gives an overview of suitable ultrasonic welding systems as well as of essential machine and material parameters, which influence the quality of the welds. Besides the ultrasonic welding of dissimilar metals such as Al to Cu or Al to steels, the welds between newly developed materials like aluminum foam sandwiches or flat flexible cables also can be realized. Moreover, the joining of glass and ceramic to sheet metals is a point of interest at the WKK. By using the ultrasonic metal welding process, it is possible to realize metal/glass welds with tensile shear strengths of 50 MPa. For metal/ceramic joints, the shear strengths values up to 150 MPa were measured. Finally, selected results about the occurring bonding mechanisms will be discussed.

Ultrasonic measurement of stress in 2219-T87 aluminum plate

NASA Technical Reports Server (NTRS)

Clotfelter, W. N.; Risch, E. R.

1976-01-01

The basic relationship of ultrasonic signal velocity to directional subsurface stress is reviewed. Inappropriateness of dependency on a single correlative value of constant for a three dimensional stress field in metallic materials is discussed. Implementation of conventional ultrasonic nondestructive testing capabilities integrated to provide a composite technique for the measurement of orthogonal stress components is described, and the procedures for performing the preparatory calibration and subsequent stress field measurements are presented. In conclusion, the prime effect of stress on ultrasonic signal velocity occurs only in the direction of material excitation or particle motion.

Mechanisms and kinetics models for ultrasonic waste activated sludge disintegration.

PubMed

Wang, Fen; Wang, Yong; Ji, Min

2005-08-31

Ultrasonic energy can be applied as pre-treatment to disintegrate sludge flocs and disrupt bacterial cells' walls, and the hydrolysis can be improved, so that the rate of sludge digestion and methane production is improved. In this paper, by adding NaHCO3 to mask the oxidizing effect of OH, the mechanisms of disintegration are investigated. In addition, kinetics models for ultrasonic sludge disintegration are established by applying multi-variable linear regression method. It has been found that hydro-mechanical shear forces predominantly responsible for the disintegration, and the contribution of oxidizing effect of OH increases with the amount of the ultrasonic density and ultrasonic intensity. It has also been inferred from the kinetics model which dependent variable is SCOD+ that both sludge pH and sludge concentration significantly affect the disintegration.

Effect of Heat Generation of Ultrasound Transducer on Ultrasonic Power Measured by Calorimetric Method

NASA Astrophysics Data System (ADS)

Uchida, Takeyoshi; Kikuchi, Tsuneo

2013-07-01

Ultrasonic power is one of the key quantities closely related to the safety of medical ultrasonic equipment. An ultrasonic power standard is required for establishment of safety. Generally, an ultrasonic power standard below approximately 20 W is established by the radiation force balance (RFB) method as the most accurate measurement method. However, RFB is not suitable for high ultrasonic power because of thermal damage to the absorbing target. Consequently, an alternative method to RFB is required. We have been developing a measurement technique for high ultrasonic power by the calorimetric method. In this study, we examined the effect of heat generation of an ultrasound transducer on ultrasonic power measured by the calorimetric method. As a result, an excessively high ultrasonic power was measured owing to the effect of heat generation from internal loss in the transducer. A reference ultrasound transducer with low heat generation is required for a high ultrasonic power standard established by the calorimetric method.

Effect of acoustic softening on the thermal-mechanical process of ultrasonic welding.

PubMed

Chen, Kunkun; Zhang, Yansong; Wang, Hongze

2017-03-01

Application of ultrasonic energy can reduce the static stress necessary for plastic deformation of metallic materials to reduce forming load and energy, namely acoustic softening effect (ASE). Ultrasonic welding (USW) is a rapid joining process utilizing ultrasonic energy to form a solid state joint between two or more pieces of metals. Quantitative characterization of ASE and its influence on specimen deformation and heat generation is essential to clarify the thermal-mechanical process of ultrasonic welding. In the present work, experiments were set up to found out mechanical behavior of copper and aluminum under combined effect of compression force and ultrasonic energy. Constitutive model was proposed and numerical implemented in finite element model of ultrasonic welding. Thermal-mechanical analysis was put forward to explore the effect of ultrasonic energy on the welding process quantitatively. Conclusions can be drawn that ASE increases structural deformation significantly, which is beneficial for joint formation. Meanwhile, heat generation from both frictional work and plastic deformation is slightly influenced by ASE. Based on the proposed model, relationship between ultrasonic energy and thermal-mechanical behavior of structure during ultrasonic welding was constructed. Copyright © 2016 Elsevier B.V. All rights reserved.

Experimental study on inter-particle acoustic forces.

PubMed

Garcia-Sabaté, Anna; Castro, Angélica; Hoyos, Mauricio; González-Cinca, Ricard

2014-03-01

A method for the experimental measurement of inter-particle forces (secondary Bjerknes force) generated by the action of an acoustic field in a resonator micro-channel is presented. The acoustic radiation force created by an ultrasonic standing wave moves suspended particles towards the pressure nodes and the acoustic pressure induces particle volume oscillations. Once particles are in the levitation plane, transverse and secondary Bjerknes forces become important. Experiments were carried out in a resonator filled with a suspension composed of water and latex particles of different size (5-15 μm) at different concentrations. Ultrasound was generated by means of a 2.5 MHz nominal frequency transducer. For the first time the acoustic force generated by oscillating particles acting on other particles has been measured, and the critical interaction distance in various cases has been determined. Inter-particle forces on the order of 10(-14) N have been measured by using this method.

Levitation forces of a bulk YBCO superconductor in gradient varying magnetic fields

NASA Astrophysics Data System (ADS)

Jiang, J.; Gong, Y. M.; Wang, G.; Zhou, D. J.; Zhao, L. F.; Zhang, Y.; Zhao, Y.

2015-09-01

The levitation forces of a bulk YBCO superconductor in gradient varying high and low magnetic fields generated from a superconducting magnet were investigated. The magnetic field intensity of the superconducting magnet was measured when the exciting current was 90 A. The magnetic field gradient and magnetic force field were both calculated. The YBCO bulk was cooled by liquid nitrogen in field-cooling (FC) and zero-field-cooling (ZFC) condition. The results showed that the levitation forces increased with increasing the magnetic field intensity. Moreover, the levitation forces were more dependent on magnetic field gradient and magnetic force field than magnetic field intensity.

Comparing Molecular Dynamics Force Fields in the Essential Subspace

PubMed Central

Gomez-Puertas, Paulino; Boomsma, Wouter; Lindorff-Larsen, Kresten

2015-01-01

The continued development and utility of molecular dynamics simulations requires improvements in both the physical models used (force fields) and in our ability to sample the Boltzmann distribution of these models. Recent developments in both areas have made available multi-microsecond simulations of two proteins, ubiquitin and Protein G, using a number of different force fields. Although these force fields mostly share a common mathematical form, they differ in their parameters and in the philosophy by which these were derived, and previous analyses showed varying levels of agreement with experimental NMR data. To complement the comparison to experiments, we have performed a structural analysis of and comparison between these simulations, thereby providing insight into the relationship between force-field parameterization, the resulting ensemble of conformations and the agreement with experiments. In particular, our results show that, at a coarse level, many of the motional properties are preserved across several, though not all, force fields. At a finer level of detail, however, there are distinct differences in both the structure and dynamics of the two proteins, which can, together with comparison with experimental data, help to select force fields for simulations of proteins. A noteworthy observation is that force fields that have been reparameterized and improved to provide a more accurate energetic description of the balance between helical and coil structures are difficult to distinguish from their “unbalanced” counterparts in these simulations. This observation implies that simulations of stable, folded proteins, even those reaching 10 microseconds in length, may provide relatively little information that can be used to modify torsion parameters to achieve an accurate balance between different secondary structural elements. PMID:25811178

MATCH: An Atom- Typing Toolset for Molecular Mechanics Force Fields

PubMed Central

Yesselman, Joseph D.; Price, Daniel J.; Knight, Jennifer L.; Brooks, Charles L.

2011-01-01

We introduce a toolset of program libraries collectively titled MATCH (Multipurpose Atom-Typer for CHARMM) for the automated assignment of atom types and force field parameters for molecular mechanics simulation of organic molecules. The toolset includes utilities for the conversion from multiple chemical structure file formats into a molecular graph. A general chemical pattern-matching engine using this graph has been implemented whereby assignment of molecular mechanics atom types, charges and force field parameters is achieved by comparison against a customizable list of chemical fragments. While initially designed to complement the CHARMM simulation package and force fields by generating the necessary input topology and atom-type data files, MATCH can be expanded to any force field and program, and has core functionality that makes it extendable to other applications such as fragment-based property prediction. In the present work, we demonstrate the accurate construction of atomic parameters of molecules within each force field included in CHARMM36 through exhaustive cross validation studies illustrating that bond increment rules derived from one force field can be transferred to another. In addition, using leave-one-out substitution it is shown that it is also possible to substitute missing intra and intermolecular parameters with ones included in a force field to complete the parameterization of novel molecules. Finally, to demonstrate the robustness of MATCH and the coverage of chemical space offered by the recent CHARMM CGENFF force field (Vanommeslaeghe, et al., JCC., 2010, 31, 671–690), one million molecules from the PubChem database of small molecules are typed, parameterized and minimized. PMID:22042689

Measurement of hydroxyl radical production in ultrasonic aqueous solutions by a novel chemiluminescence method.

PubMed

Hu, Yufei; Zhang, Zhujun; Yang, Chunyan

2008-07-01

Measurement methods for ultrasonic fields are important for reasons of safety. The investigation of an ultrasonic field can be performed by detecting the yield of hydroxyl radicals resulting from ultrasonic cavitations. In this paper, a novel method is introduced for detecting hydroxyl radicals by a chemiluminescence (CL) reaction of luminol-hydrogen peroxide (H2O2)-K5[Cu(HIO6)2](DPC). The yield of hydroxyl radicals is calculated directly by the relative CL intensity according to the corresponding concentration of H2O2. This proposed CL method makes it possible to perform an in-line and real-time assay of hydroxyl radicals in an ultrasonic aqueous solution. With flow injection (FI) technology, this novel CL reaction is sensitive enough to detect ultra trace amounts of H2O2 with a limit of detection (3sigma) of 4.1 x 10(-11) mol L(-1). The influences of ultrasonic output power and ultrasonic treatment time on the yield of hydroxyl radicals by an ultrasound generator were also studied. The results indicate that the amount of hydroxyl radicals increases with the increase of ultrasonic output power (< or = 15 W mL(-1)). There is a linear relationship between the time of ultrasonic treatment and the yield of H2O2. The ultrasonic field of an ultrasonic cleaning baths has been measured by calculating the yield of hydroxyl radicals.

Effect of ultrasonic stimulation on particle transport and fate over different lengths of porous media

NASA Astrophysics Data System (ADS)

Chen, Xingxin; Wu, Zhonghan; Cai, Qipeng; Cao, Wei

2018-04-01

It is well established that seismic waves traveling through porous media stimulate fluid flow and accelerate particle transport. However, the mechanism remains poorly understood. To quantify the coupling effect of hydrodynamic force, transportation distance, and ultrasonic stimulation on particle transport and fate in porous media, laboratory experiments were conducted using custom-built ultrasonic-controlled soil column equipment. Three column lengths (23 cm, 33 cm, and 43 cm) were selected to examine the influence of transportation distance. Transport experiments were performed with 0 W, 600 W, 1000 W, 1400 W, and 1800 W of applied ultrasound, and flow rates of 0.065 cm/s, 0.130 cm/s, and 0.195 cm/s, to establish the roles of ultrasonic stimulation and hydrodynamic force. The laboratory results suggest that whilst ultrasonic stimulation does inhibit suspended-particle deposition and accelerate deposited-particle release, both hydrodynamic force and transportation distance are the principal controlling factors. The median particle diameter for the peak concentration was approximately 50% of that retained in the soil column. Simulated particle-breakthrough curves using extended traditional filtration theory effectively described the experimental curves, particularly the curves that exhibited a higher tailing concentration.

Improved ultrasonic standard reference blocks

NASA Technical Reports Server (NTRS)

Eitzen, D. G.; Sushinsky, G. F.; Chwirut, D. J.; Bechtoldt, C. J.; Ruff, A. W.

1976-01-01

A program to improve the quality, reproducibility and reliability of nondestructive testing through the development of improved ASTM-type ultrasonic reference standards is described. Reference blocks of aluminum, steel, and titanium alloys are to be considered. Equipment representing the state-of-the-art in laboratory and field ultrasonic equipment was obtained and evaluated. RF and spectral data on ten sets of ultrasonic reference blocks have been taken as part of a task to quantify the variability in response from nominally identical blocks. Techniques for residual stress, preferred orientation, and micro-structural measurements were refined and are applied to a reference block rejected by the manufacturer during fabrication in order to evaluate the effect of metallurgical condition on block response. New fabrication techniques for reference blocks are discussed and ASTM activities are summarized.

Preface: Special Topic: From Quantum Mechanics to Force Fields.

PubMed

Piquemal, Jean-Philip; Jordan, Kenneth D

2017-10-28

This Special Topic issue entitled "From Quantum Mechanics to Force Fields" is dedicated to the ongoing efforts of the theoretical chemistry community to develop a new generation of accurate force fields based on data from high-level electronic structure calculations and to develop faster electronic structure methods for testing and designing force fields as well as for carrying out simulations. This issue includes a collection of 35 original research articles that illustrate recent theoretical advances in the field. It provides a timely snapshot of recent developments in the generation of approaches to enable more accurate molecular simulations of processes important in chemistry, physics, biophysics, and materials science.

Preface: Special Topic: From Quantum Mechanics to Force Fields

NASA Astrophysics Data System (ADS)

Piquemal, Jean-Philip; Jordan, Kenneth D.

2017-10-01

This Special Topic issue entitled "From Quantum Mechanics to Force Fields" is dedicated to the ongoing efforts of the theoretical chemistry community to develop a new generation of accurate force fields based on data from high-level electronic structure calculations and to develop faster electronic structure methods for testing and designing force fields as well as for carrying out simulations. This issue includes a collection of 35 original research articles that illustrate recent theoretical advances in the field. It provides a timely snapshot of recent developments in the generation of approaches to enable more accurate molecular simulations of processes important in chemistry, physics, biophysics, and materials science.

On-chip magnetically actuated robot with ultrasonic vibration for single cell manipulations.

PubMed

Hagiwara, Masaya; Kawahara, Tomohiro; Yamanishi, Yoko; Masuda, Taisuke; Feng, Lin; Arai, Fumihito

2011-06-21

This paper presents an innovative driving method for an on-chip robot actuated by permanent magnets in a microfluidic chip. A piezoelectric ceramic is applied to induce ultrasonic vibration to the microfluidic chip and the high-frequency vibration reduces the effective friction on the MMT significantly. As a result, we achieved 1.1 micrometre positioning accuracy of the microrobot, which is 100 times higher accuracy than without vibration. The response speed is also improved and the microrobot can be actuated with a speed of 5.5 mm s(-1) in 3 degrees of freedom. The novelty of the ultrasonic vibration appears in the output force as well. Contrary to the reduction of friction on the microrobot, the output force increased twice as much by the ultrasonic vibration. Using this high accuracy, high speed, and high power microrobot, swine oocyte manipulations are presented in a microfluidic chip.

Three-dimensional mid-air acoustic manipulation by ultrasonic phased arrays.

PubMed

Ochiai, Yoichi; Hoshi, Takayuki; Rekimoto, Jun

2014-01-01

The essence of levitation technology is the countervailing of gravity. It is known that an ultrasound standing wave is capable of suspending small particles at its sound pressure nodes. The acoustic axis of the ultrasound beam in conventional studies was parallel to the gravitational force, and the levitated objects were manipulated along the fixed axis (i.e. one-dimensionally) by controlling the phases or frequencies of bolted Langevin-type transducers. In the present study, we considered extended acoustic manipulation whereby millimetre-sized particles were levitated and moved three-dimensionally by localised ultrasonic standing waves, which were generated by ultrasonic phased arrays. Our manipulation system has two original features. One is the direction of the ultrasound beam, which is arbitrary because the force acting toward its centre is also utilised. The other is the manipulation principle by which a localised standing wave is generated at an arbitrary position and moved three-dimensionally by opposed and ultrasonic phased arrays. We experimentally confirmed that expanded-polystyrene particles of 0.6 mm, 1 mm, and 2 mm in diameter could be manipulated by our proposed method.

Systematic Validation of Protein Force Fields against Experimental Data

PubMed Central

Eastwood, Michael P.; Dror, Ron O.; Shaw, David E.

2012-01-01

Molecular dynamics simulations provide a vehicle for capturing the structures, motions, and interactions of biological macromolecules in full atomic detail. The accuracy of such simulations, however, is critically dependent on the force field—the mathematical model used to approximate the atomic-level forces acting on the simulated molecular system. Here we present a systematic and extensive evaluation of eight different protein force fields based on comparisons of experimental data with molecular dynamics simulations that reach a previously inaccessible timescale. First, through extensive comparisons with experimental NMR data, we examined the force fields' abilities to describe the structure and fluctuations of folded proteins. Second, we quantified potential biases towards different secondary structure types by comparing experimental and simulation data for small peptides that preferentially populate either helical or sheet-like structures. Third, we tested the force fields' abilities to fold two small proteins—one α-helical, the other with β-sheet structure. The results suggest that force fields have improved over time, and that the most recent versions, while not perfect, provide an accurate description of many structural and dynamical properties of proteins. PMID:22384157

An Improved Scheduling Algorithm for Data Transmission in Ultrasonic Phased Arrays with Multi-Group Ultrasonic Sensors

PubMed Central

Tang, Wenming; Liu, Guixiong; Li, Yuzhong; Tan, Daji

2017-01-01

High data transmission efficiency is a key requirement for an ultrasonic phased array with multi-group ultrasonic sensors. Here, a novel FIFOs scheduling algorithm was proposed and the data transmission efficiency with hardware technology was improved. This algorithm includes FIFOs as caches for the ultrasonic scanning data obtained from the sensors with the output data in a bandwidth-sharing way, on the basis of which an optimal length ratio of all the FIFOs is achieved, allowing the reading operations to be switched among all the FIFOs without time slot waiting. Therefore, this algorithm enhances the utilization ratio of the reading bandwidth resources so as to obtain higher efficiency than the traditional scheduling algorithms. The reliability and validity of the algorithm are substantiated after its implementation in the field programmable gate array (FPGA) technology, and the bandwidth utilization ratio and the real-time performance of the ultrasonic phased array are enhanced. PMID:29035345

Clinical tests of an ultrasonic periodontal probe

NASA Astrophysics Data System (ADS)

Hinders, Mark K.; Lynch, John E.; McCombs, Gayle B.

2002-05-01

A new ultrasonic periodontal probe has been developed that offers the potential for earlier detection of periodontal disease activity, non-invasive diagnosis, and greater reliability of measurement. A comparison study of the ultrasonic probe to both a manual probe, and a controlled-force probe was conducted to evaluate its clinical effectiveness. Twelve patients enrolled into this study. Two half-month examinations were conducted on each patient, scheduled one hour apart. A one-way analysis of variance was performed to compare the results for the three sets of probing depth measurements, followed by a repeated measures analysis to assess the reproducibility of the different probing techniques. These preliminary findings indicate that manual and ultrasonic probing measure different features of the pocket. Therefore, it is not obvious how the two depth measurements correspond to each other. However, both methods exhibited a similar tendency toward increasing pocket depths as Gingival Index scores increased. Based on the small sample size, further studies need to be conducted using a larger population of patients exhibiting a wider range of disease activity. In addition, studies that allow histological examination of the pocket after probing will help further evaluate the clinical effectiveness the ultrasonic probe. Future studies will also aid in the development of more effective automated feature recognition algorithms that convert the ultrasonic echoes into pocket depth readings.

Validating empirical force fields for molecular-level simulation of cellulose dissolution

USDA-ARS?s Scientific Manuscript database

The calculations presented here, which include dynamics simulations using analytical force fields and first principles studies, indicate that the COMPASS force field is preferred over the Dreiding and Universal force fields for studying dissolution of large cellulose structures. The validity of thes...

Mitigated-force carriage for high magnetic field environments

DOEpatents

Ludtka, Gerard M.; Ludtka, Gail M.; Wilgen, John B.; Murphy, Bart L.

2015-05-19

A carriage for high magnetic field environments includes a plurality of work-piece separators disposed in an operable relationship with a work-piece processing magnet having a magnetic field strength of at least 1 Tesla for supporting and separating a plurality of work-pieces by a preselected, essentially equal spacing, so that, as a first work-piece is inserted into the magnetic field, a second work-piece is simultaneously withdrawn from the magnetic field, so that an attractive magnetic force imparted on the first work-piece offsets a resistive magnetic force imparted on the second work-piece.

Study of ultrasonic thermometry based on ultrasonic time-of-flight measurement

NASA Astrophysics Data System (ADS)

Jia, Ruixi; Xiong, Qingyu; Wang, Lijie; Wang, Kai; Shen, Xuehua; Liang, Shan; Shi, Xin

2016-03-01

Ultrasonic thermometry is a kind of acoustic pyrometry and it has been evolving as a new temperature measurement technology for various environment. However, the accurate measurement of the ultrasonic time-of-flight is the key for ultrasonic thermometry. In this paper, we study the ultrasonic thermometry technique based on ultrasonic time-of-flight measurement with a pair of ultrasonic transducers for transmitting and receiving signal. The ultrasonic transducers are installed in a single path which ultrasonic travels. In order to validate the performance of ultrasonic thermometry, we make a contrast about the absolute error between the measured temperature value and the practical one. With and without heater source, the experimental results indicate ultrasonic thermometry has high precision of temperature measurement.

Alternating Magnetic Field Forces for Satellite Formation Flying

NASA Technical Reports Server (NTRS)

Youngquist, Robert C.; Nurge, Mark A.; Starr, Stnaley O.

2012-01-01

Selected future space missions, such as large aperture telescopes and multi-component interferometers, will require the precise positioning of a number of isolated satellites, yet many of the suggested approaches for providing satellites positioning forces have serious limitations. In this paper we propose a new approach, capable of providing both position and orientation forces, that resolves or alleviates many of these problems. We show that by using alternating fields and currents that finely-controlled forces can be induced on the satellites, which can be individually selected through frequency allocation. We also show, through analysis and experiment, that near field operation is feasible and can provide sufficient force and the necessary degrees of freedom to accurately position and orient small satellites relative to one another. In particular, the case of a telescope with a large number of free mirrors is developed to provide an example of the concept. We. also discuss the far field extension of this concept.

Apparatus and method for ultrasonic treatment of a liquid

DOEpatents

Chandler, Darrell P.; Posakony, Gerald J.; Bond, Leonard J.; Bruckner-Lea, Cynthia J.

2006-04-04

The present invention is an apparatus for ultrasonically treating a liquid to generate a product. The apparatus is capable of treating a continuously-flowing, or intermittently-flowing, liquid along a line segment coincident with the flow path of the liquid. The apparatus has one or more ultrasonic transducers positioned asymmetrically about the line segment. The ultrasonic field encompasses the line segment and the ultrasonic energy may be concentrated along the line segment. Lysing treatments have been successfully achieved with efficiencies of greater than 99% using ultrasound at MHz frequencies without erosion or heating problems and without the need for chemical or mechanical pretreatment, or contrast agents. The present invention overcomes drawbacks of current ultrasonic treatments beyond lysing and opens up new sonochemical and sonophysical processing opportunities.

How accurately do force fields represent protein side chain ensembles?

PubMed

Petrović, Dušan; Wang, Xue; Strodel, Birgit

2018-05-23

Although the protein backbone is the most fundamental part of the structure, the fine-tuning of side-chain conformations is important for protein function, for example, in protein-protein and protein-ligand interactions, and also in enzyme catalysis. While several benchmarks testing the performance of protein force fields for side chain properties have already been published, they often considered only a few force fields and were not tested against the same experimental observables; hence, they are not directly comparable. In this work, we explore the ability of twelve force fields, which are different flavors of AMBER, CHARMM, OPLS, or GROMOS, to reproduce average rotamer angles and rotamer populations obtained from extensive NMR studies of the 3 J and residual dipolar coupling constants for two small proteins: ubiquitin and GB3. Based on a total of 196 μs sampling time, our results reveal that all force fields identify the correct side chain angles, while the AMBER and CHARMM force fields clearly outperform the OPLS and GROMOS force fields in estimating rotamer populations. The three best force fields for representing the protein side chain dynamics are AMBER 14SB, AMBER 99SB*-ILDN, and CHARMM36. Furthermore, we observe that the side chain ensembles of buried amino acid residues are generally more accurately represented than those of the surface exposed residues. This article is protected by copyright. All rights reserved. © 2018 Wiley Periodicals, Inc.

Experimental investigation of the Multipoint Ultrasonic Flowmeter

NASA Astrophysics Data System (ADS)

Jakub, Filipský

2018-06-01

The Multipoint Ultrasonic Flowmeter is a vector tomographic device capable of reconstructing all three components of velocity field based solely on boundary ultrasonic measurements. Computer simulations have shown the feasibility of such a device and have been published previously. This paper describes an experimental investigation of achievable accuracy of such a method. Doubled acoustic tripoles used to obtain information of the solenoidal part of vector field show extremely short differences between the Time Of Flights (TOFs) of individual sensors and are therefore sensitive to parasitic effects of TOF measurements. Sampling at 40MHz and correlation method is used to measure the TOF.

DNA Polymorphism: A Comparison of Force Fields for Nucleic Acids

PubMed Central

Reddy, Swarnalatha Y.; Leclerc, Fabrice; Karplus, Martin

2003-01-01

The improvements of the force fields and the more accurate treatment of long-range interactions are providing more reliable molecular dynamics simulations of nucleic acids. The abilities of certain nucleic acid force fields to represent the structural and conformational properties of nucleic acids in solution are compared. The force fields are AMBER 4.1, BMS, CHARMM22, and CHARMM27; the comparison of the latter two is the primary focus of this paper. The performance of each force field is evaluated first on its ability to reproduce the B-DNA decamer d(CGATTAATCG)2 in solution with simulations in which the long-range electrostatics were treated by the particle mesh Ewald method; the crystal structure determined by Quintana et al. (1992) is used as the starting point for all simulations. A detailed analysis of the structural and solvation properties shows how well the different force fields can reproduce sequence-specific features. The results are compared with data from experimental and previous theoretical studies. PMID:12609851

Hydrogen bonding and pi-stacking: how reliable are force fields? A critical evaluation of force field descriptions of nonbonded interactions.

PubMed

Paton, Robert S; Goodman, Jonathan M

2009-04-01

We have evaluated the performance of a set of widely used force fields by calculating the geometries and stabilization energies for a large collection of intermolecular complexes. These complexes are representative of a range of chemical and biological systems for which hydrogen bonding, electrostatic, and van der Waals interactions play important roles. Benchmark energies are taken from the high-level ab initio values in the JSCH-2005 and S22 data sets. All of the force fields underestimate stabilization resulting from hydrogen bonding, but the energetics of electrostatic and van der Waals interactions are described more accurately. OPLSAA gave a mean unsigned error of 2 kcal mol(-1) for all 165 complexes studied, and outperforms DFT calculations employing very large basis sets for the S22 complexes. The magnitude of hydrogen bonding interactions are severely underestimated by all of the force fields tested, which contributes significantly to the overall mean error; if complexes which are predominantly bound by hydrogen bonding interactions are discounted, the mean unsigned error of OPLSAA is reduced to 1 kcal mol(-1). For added clarity, web-based interactive displays of the results have been developed which allow comparisons of force field and ab initio geometries to be performed and the structures viewed and rotated in three dimensions.

Evaluation of DNA Force Fields in Implicit Solvation

PubMed Central

Gaillard, Thomas; Case, David A.

2011-01-01

DNA structural deformations and dynamics are crucial to its interactions in the cell. Theoretical simulations are essential tools to explore the structure, dynamics, and thermodynamics of biomolecules in a systematic way. Molecular mechanics force fields for DNA have benefited from constant improvements during the last decades. Several studies have evaluated and compared available force fields when the solvent is modeled by explicit molecules. On the other hand, few systematic studies have assessed the quality of duplex DNA models when implicit solvation is employed. The interest of an implicit modeling of the solvent consists in the important gain in the simulation performance and conformational sampling speed. In this study, respective influences of the force field and the implicit solvation model choice on DNA simulation quality are evaluated. To this end, extensive implicit solvent duplex DNA simulations are performed, attempting to reach both conformational and sequence diversity convergence. Structural parameters are extracted from simulations and statistically compared to available experimental and explicit solvation simulation data. Our results quantitatively expose the respective strengths and weaknesses of the different DNA force fields and implicit solvation models studied. This work can lead to the suggestion of improvements to current DNA theoretical models. PMID:22043178

Schlieren imaging of the standing wave field in an ultrasonic acoustic levitator

NASA Astrophysics Data System (ADS)

Rendon, Pablo Luis; Boullosa, Ricardo R.; Echeverria, Carlos; Porta, David

2015-11-01

We consider a model of a single axis acoustic levitator consisting of two cylinders immersed in air and directed along the same axis. The first cylinder has a flat termination and functions as a sound emitter, and the second cylinder, which is simply a refector, has the side facing the first cylinder cut out by a spherical surface. By making the first cylinder vibrate at ultrasonic frequencies a standing wave is produced in the air between the cylinders which makes it possible, by means of the acoustic radiation pressure, to levitate one or several small objects of different shapes, such as spheres or disks. We use schlieren imaging to observe the acoustic field resulting from the levitation of one or several objects, and compare these results to previous numerical approximations of the field obtained using a finite element method. The authors acknowledge financial support from DGAPA-UNAM through project PAPIIT IN109214.

Machine Learning Force Field Parameters from Ab Initio Data

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

Li, Ying; Li, Hui; Pickard, Frank C.

Machine learning (ML) techniques with the genetic algorithm (GA) have been applied to determine a polarizable force field parameters using only ab initio data from quantum mechanics (QM) calculations of molecular clusters at the MP2/6-31G(d,p), DFMP2(fc)/jul-cc-pVDZ, and DFMP2(fc)/jul-cc-pVTZ levels to predict experimental condensed phase properties (i.e., density and heat of vaporization). The performance of this ML/GA approach is demonstrated on 4943 dimer electrostatic potentials and 1250 cluster interaction energies for methanol. Excellent agreement between the training data set from QM calculations and the optimized force field model was achieved. The results were further improved by introducing an offset factor duringmore » the machine learning process to compensate for the discrepancy between the QM calculated energy and the energy reproduced by optimized force field, while maintaining the local “shape” of the QM energy surface. Throughout the machine learning process, experimental observables were not involved in the objective function, but were only used for model validation. The best model, optimized from the QM data at the DFMP2(fc)/jul-cc-pVTZ level, appears to perform even better than the original AMOEBA force field (amoeba09.prm), which was optimized empirically to match liquid properties. The present effort shows the possibility of using machine learning techniques to develop descriptive polarizable force field using only QM data. The ML/GA strategy to optimize force fields parameters described here could easily be extended to other molecular systems.« less

Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: the INTERFACE force field.

PubMed

Heinz, Hendrik; Lin, Tzu-Jen; Mishra, Ratan Kishore; Emami, Fateme S

2013-02-12

The complexity of the molecular recognition and assembly of biotic-abiotic interfaces on a scale of 1 to 1000 nm can be understood more effectively using simulation tools along with laboratory instrumentation. We discuss the current capabilities and limitations of atomistic force fields and explain a strategy to obtain dependable parameters for inorganic compounds that has been developed and tested over the past decade. Parameter developments include several silicates, aluminates, metals, oxides, sulfates, and apatites that are summarized in what we call the INTERFACE force field. The INTERFACE force field operates as an extension of common harmonic force fields (PCFF, COMPASS, CHARMM, AMBER, GROMACS, and OPLS-AA) by employing the same functional form and combination rules to enable simulations of inorganic-organic and inorganic-biomolecular interfaces. The parametrization builds on an in-depth understanding of physical-chemical properties on the atomic scale to assign each parameter, especially atomic charges and van der Waals constants, as well as on the validation of macroscale physical-chemical properties for each compound in comparison to measurements. The approach eliminates large discrepancies between computed and measured bulk and surface properties of up to 2 orders of magnitude using other parametrization protocols and increases the transferability of the parameters by introducing thermodynamic consistency. As a result, a wide range of properties can be computed in quantitative agreement with experiment, including densities, surface energies, solid-water interface tensions, anisotropies of interfacial energies of different crystal facets, adsorption energies of biomolecules, and thermal and mechanical properties. Applications include insight into the assembly of inorganic-organic multiphase materials, the recognition of inorganic facets by biomolecules, growth and shape preferences of nanocrystals and nanoparticles, as well as thermal transitions and

Effect of ultrasonic vibration on the retention of adhesively luted intra-radicular posts.

PubMed

Satterthwaite, Julian D; Stokes, Alastair N

2004-09-01

The aim of this study was to determine the effect of prolonged ultrasonic vibration on tensile force necessary to dislodge two different post types luted with an adhesive resin. Extracted human canine teeth were decoronated and root-filled. Either a ceramic or stainless steel intra-radicular post was luted into each root with resin-based cement. Half the samples in each group were randomly assigned to be subjected to ultrasonic vibration of the post (test group), the remaining samples did not receive vibration (control group). The tensile force required to dislodge each post was then determined in a universal testing machine. The mean force required to dislodge the stainless steel posts in the control group was 510.1N (SD 170.6) and in the 'treatment' group it was 539.5N (SD 163.3). For the ceramic posts in the control group the mean force was 447.8N (SD 165.5) and in the 'treatment' group it was 473.9N (SD 137.8). There was no statistical difference between the groups (p = 0.597). Within the limitations of this in-vitro study, the results cast doubt on the ability of application of ultrasonic vibration to displace/loosen intra-radicular posts luted with a resin-based cement.

Ultrasonic resonant piezoelectric actuator with intrinsic torque measurement.

PubMed

Pott, Peter P; Matich, Sebastian; Schlaak, Helmut F

2012-11-01

Piezoelectric ultrasonic actuators are widely used in small-scale actuation systems, in which a closed-loop position control is usually utilized. To save an additional torque sensor, the intrinsic measurement capabilities of the piezoelectric material can be employed. To prove feasibility, a motor setup with clearly separated actuation for the friction and driving forces is chosen. The motor concept is based on resonant ultrasonic vibrations. To assess the effects of the direct piezoelectric effect, a capacitance bridge-type circuit has been selected. Signal processing is done by a measurement card with an integrated field-programmable gate array. The motor is used to drive a winch, and different torques are applied by means of weights to be lifted. Assessing the bridge voltage, a good proportionality to the applied torque of 1.47 mV/mN·m is shown. A hysteresis of 1% has been determined. The chosen motor concept is useful for intrinsic torque measurement. However, it provides drawbacks in terms of limited mechanical performance, wear, and thermal losses because of the soft piezoelectric material. Future work will comprise the application of the method to commercially available piezoelectric actuators as well as the implementation of the measurement circuit in an embedded system.

Force-free magnetic fields - The magneto-frictional method

NASA Technical Reports Server (NTRS)

Yang, W. H.; Sturrock, P. A.; Antiochos, S. K.

1986-01-01

The problem under discussion is that of calculating magnetic field configurations in which the Lorentz force j x B is everywhere zero, subject to specified boundary conditions. We choose to represent the magnetic field in terms of Clebsch variables in the form B = grad alpha x grad beta. These variables are constant on any field line so that each field line is labeled by the corresponding values of alpha and beta. When the field is described in this way, the most appropriate choice of boundary conditions is to specify the values of alpha and beta on the bounding surface. We show that such field configurations may be calculated by a magneto-frictional method. We imagine that the field lines move through a stationary medium, and that each element of magnetic field is subject to a frictional force parallel to and opposing the velocity of the field line. This concept leads to an iteration procedure for modifying the variables alpha and beta, that tends asymptotically towards the force-free state. We apply the method first to a simple problem in two rectangular dimensions, and then to a problem of cylindrical symmetry that was previously discussed by Barnes and Sturrock (1972). In one important respect, our new results differ from the earlier results of Barnes and Sturrock, and we conclude that the earlier article was in error.

Force fields and scoring functions for carbohydrate simulation.

PubMed

Xiong, Xiuming; Chen, Zhaoqiang; Cossins, Benjamin P; Xu, Zhijian; Shao, Qiang; Ding, Kai; Zhu, Weiliang; Shi, Jiye

2015-01-12

Carbohydrate dynamics plays a vital role in many biological processes, but we are not currently able to probe this with experimental approaches. The highly flexible nature of carbohydrate structures differs in many aspects from other biomolecules, posing significant challenges for studies employing computational simulation. Over past decades, computational study of carbohydrates has been focused on the development of structure prediction methods, force field optimization, molecular dynamics simulation, and scoring functions for carbohydrate-protein interactions. Advances in carbohydrate force fields and scoring functions can be largely attributed to enhanced computational algorithms, application of quantum mechanics, and the increasing number of experimental structures determined by X-ray and NMR techniques. The conformational analysis of carbohydrates is challengeable and has gone into intensive study in elucidating the anomeric, the exo-anomeric, and the gauche effects. Here, we review the issues associated with carbohydrate force fields and scoring functions, which will have a broad application in the field of carbohydrate-based drug design. Copyright © 2014 Elsevier Ltd. All rights reserved.

Particle scavenging in a cylindrical ultrasonic standing wave field using levitated drops

NASA Astrophysics Data System (ADS)

Merrell, Tyler; Saylor, J. R.

2015-11-01

A cylindrical ultrasonic standing wave field was generated in a tube containing a flow of particles and fog. Both the particles and fog drops were concentrated in the nodes of the standing wave field where they combined and then grew large enough to fall out of the system. In this way particles were scavenged from the system, cleaning the air. While this approach has been attempted using a standing wave field established between disc-shaped transducers, a cylindrical resonator has not been used for this purpose heretofore. The resonator was constructed by bolting three Langevin transducers to an aluminum tube. The benefit of the cylindrical geometry is that the acoustic energy is focused. Furthermore, the residence time of the particle in the field can be increased by increasing the length of the resonator. An additional benefit of this approach is that tubes located downstream of the resonator were acoustically excited, acting as passive resonators that enhanced the scavenging process. The performance of this system on scavenging particles is presented as a function of particle diameter and volumetric flow rate. It is noted that, when operated without particles, the setup can be used to remove drops and shows promise for liquid aerosol retention from systems where these losses can be financially disadvantageous and/or hazardous.

Apparatus and method for ultrasonic treatment of a liquid

DOEpatents

Chandler, Darrell P [Richland, WA; Posakony, Gerald J [Richland, WA; Bond, Leonard J [Richland, WA; Bruckner-Lea, Cynthia J [Richland, WA

2003-01-14

The present invention is an apparatus and method for ultrasonically treating a liquid to generate a product. The apparatus is capable of treating a continuously-flowing, or intermittently-flowing, liquid along a line segment coincident with the flow path of the liquid. The apparatus has one or more ultrasonic transducers positioned asymmetrically about the line segment. The ultrasonic field encompasses the line segment and the ultrasonic energy may be concentrated along the line segment. Lysing treatments have been successfully achieved with efficiencies of greater than 99% using ultrasound at MHz frequencies without erosion or heating problems and without the need for chemical or mechanical pretreatment, or contrast agents. The present invention overcomes drawbacks of current ultrasonic treatments beyond lysing and opens up new sonochemical and sonophysical processing opportunities.

The efficiency of ultrasonic oscillations transfer into the load

NASA Astrophysics Data System (ADS)

Abramov, O. V.; Abramov, V. O.; Mullakaev, M. S.; Artem'ev, V. V.

2009-11-01

The results of ultrasonic action to the substances have been presented. It is examined, the correlation between the electrical parameters of ultrasonic equipment and acoustic performances of the ultrasonic field in treating the medium, the efficiency of ultrasonic technological facility, and the peculiarities of oscillations introduced into the load under cavitation development. The correlation between the acoustic powers of oscillations securing the needed level of cavitation and desired technological effect, and the electrical parameters of the ultrasonic facility, first of all, the power, is established. The peculiarities of cavitation development in liquids with different physical-chemical properties (including the molten low-melting metals) have been studied, and the acoustic power of oscillations introduced into the load under input variation of electric power to the generator has been also estimated.

Nanomaterials for in vivo imaging of mechanical forces and electrical fields

NASA Astrophysics Data System (ADS)

Mehlenbacher, Randy D.; Kolbl, Rea; Lay, Alice; Dionne, Jennifer A.

2018-02-01

Cellular signalling is governed in large part by mechanical forces and electromagnetic fields. Mechanical forces play a critical role in cell differentiation, tissue organization and diseases such as cancer and heart disease; electrical fields are essential for intercellular communication, muscle contraction, neural signalling and sensory perception. Therefore, quantifying a biological system's forces and fields is crucial for understanding physiology and disease pathology and for developing medical tools for repair and recovery. This Review highlights advances in sensing mechanical forces and electrical fields in vivo, focusing on optical probes. The emergence of biocompatible optical probes, such as genetically encoded voltage indicators, molecular rotors, fluorescent dyes, semiconducting nanoparticles, plasmonic nanoparticles and lanthanide-doped upconverting nanoparticles, offers exciting opportunities to push the limits of spatial and temporal resolution, stability, multi-modality and stimuli sensitivity in bioimaging. We further discuss the materials design principles behind these probes and compare them across various metrics to facilitate sensor selection. Finally, we examine which advances are necessary to fully unravel the role of mechanical forces and electrical fields in vivo, such as the ability to probe the vectorial nature of forces, the development of combined force and field sensors, and the design of efficient optical actuators.

Antarctic Testing of the European Ultrasonic Planetary Core Drill (UPCD)

NASA Astrophysics Data System (ADS)

Timoney, R.; Worrall, K.; Li, X.; Firstbrook, D.; Harkness, P.

2018-04-01

An overview of a series of field testing in Antarctica where the Ultrasonic Planetary Core Drill (UPCD) architecture was tested. The UPCD system is the product an EC FP7 award to develop a Mars Sample Return architecture based around the ultrasonic technique.

Scrutinizing Molecular Mechanics Force Fields on the Submicrosecond Timescale with NMR Data

PubMed Central

Lange, Oliver F.; van der Spoel, David; de Groot, Bert L.

2010-01-01

Abstract Protein dynamics on the atomic level and on the microsecond timescale has recently become accessible from both computation and experiment. To validate molecular dynamics (MD) at the submicrosecond timescale against experiment we present microsecond MD simulations in 10 different force-field configurations for two globular proteins, ubiquitin and the gb3 domain of protein G, for which extensive NMR data is available. We find that the reproduction of the measured NMR data strongly depends on the chosen force field and electrostatics treatment. Generally, particle-mesh Ewald outperforms cut-off and reaction-field approaches. A comparison to measured J-couplings across hydrogen bonds suggests that there is room for improvement in the force-field description of hydrogen bonds in most modern force fields. Our results show that with current force fields, simulations beyond hundreds of nanoseconds run an increased risk of undergoing transitions to nonnative conformational states or will persist within states of high free energy for too long, thus skewing the obtained population frequencies. Only for the AMBER99sb force field have such transitions not been observed. Thus, our results have significance for the interpretation of data obtained with long MD simulations, for the selection of force fields for MD studies and for force-field development. We hope that this comprehensive benchmark based on NMR data applied to many popular MD force fields will serve as a useful resource to the MD community. Finally, we find that for gb3, the force-field AMBER99sb reaches comparable accuracy in back-calculated residual dipolar couplings and J-couplings across hydrogen bonds to ensembles obtained by refinement against NMR data. PMID:20643085

Error analysis regarding the calculation of nonlinear force-free field

NASA Astrophysics Data System (ADS)

Liu, S.; Zhang, H. Q.; Su, J. T.

2012-02-01

Magnetic field extrapolation is an alternative method to study chromospheric and coronal magnetic fields. In this paper, two semi-analytical solutions of force-free fields (Low and Lou in Astrophys. J. 352:343, 1990) have been used to study the errors of nonlinear force-free (NLFF) fields based on force-free factor α. Three NLFF fields are extrapolated by approximate vertical integration (AVI) Song et al. (Astrophys. J. 649:1084, 2006), boundary integral equation (BIE) Yan and Sakurai (Sol. Phys. 195:89, 2000) and optimization (Opt.) Wiegelmann (Sol. Phys. 219:87, 2004) methods. Compared with the first semi-analytical field, it is found that the mean values of absolute relative standard deviations (RSD) of α along field lines are about 0.96-1.19, 0.63-1.07 and 0.43-0.72 for AVI, BIE and Opt. fields, respectively. While for the second semi-analytical field, they are about 0.80-1.02, 0.67-1.34 and 0.33-0.55 for AVI, BIE and Opt. fields, respectively. As for the analytical field, the calculation error of <| RSD|> is about 0.1˜0.2. It is also found that RSD does not apparently depend on the length of field line. These provide the basic estimation on the deviation of extrapolated field obtained by proposed methods from the real force-free field.

Ultrasonic pulser-receiver

DOEpatents

Taylor, Steven C.

2006-09-12

Ultrasonic pulser-receiver circuitry, for use with an ultrasonic transducer, the circuitry comprising a circuit board; ultrasonic pulser circuitry supported by the circuit board and configured to be coupled to an ultrasonic transducer and to cause the ultrasonic transducer to emit an ultrasonic output pulse; receiver circuitry supported by the circuit board, coupled to the pulser circuitry, including protection circuitry configured to protect against the ultrasonic pulse and including amplifier circuitry configured to amplify an echo, received back by the transducer, of the output pulse; and a connector configured to couple the ultrasonic transducer directly to the circuit board, to the pulser circuitry and receiver circuitry, wherein impedance mismatches that would result if the transducer was coupled to the circuit board via a cable can be avoided.

Ultrasonically Actuated Tools for Abrading Rock Surfaces

NASA Technical Reports Server (NTRS)

Dolgin, Benjamin; Sherrit, Stewart; Bar-Cohen, Yoseph; Rainen, Richard; Askin, Steve; Bickler, Donald; Lewis, Donald; Carson, John; Dawson, Stephen; Bao, Xiaoqi;

Planar Rotary Piezoelectric Motor Using Ultrasonic Horns

NASA Technical Reports Server (NTRS)

Sherrit, Stewart; Bao, Xiaoqi; Badescu, Mircea; Bar-Cohen, Yoseph; Geiyer, Daniel; Ostlund, Patrick N.; Allen, Phillip

2011-01-01

A motor involves a simple design that can be embedded into a plate structure by incorporating ultrasonic horn actuators into the plate. The piezoelectric material that is integrated into the horns is pre-stressed with flexures. Piezoelectric actuators are attractive for their ability to generate precision high strokes, torques, and forces while operating under relatively harsh conditions (temperatures at single-digit K to as high as 1,273 K). Electromagnetic motors (EM) typically have high rotational speed and low torque. In order to produce a useful torque, these motors are geared down to reduce the speed and increase the torque. This gearing adds mass and reduces the efficiency of the EM. Piezoelectric motors can be designed with high torques and lower speeds directly without the need for gears. Designs were developed for producing rotary motion based on the Barth concept of an ultrasonic horn driving a rotor. This idea was extended to a linear motor design by having the horns drive a slider. The unique feature of these motors is that they can be designed in a monolithic planar structure. The design is a unidirectional motor, which is driven by eight horn actuators, that rotates in the clockwise direction. There are two sets of flexures. The flexures around the piezoelectric material are pre-stress flexures and they pre-load the piezoelectric disks to maintain their being operated under compression when electric field is applied. The other set of flexures is a mounting flexure that attaches to the horn at the nodal point and can be designed to generate a normal force between the horn tip and the rotor so that to first order it operates independently and compensates for the wear between the horn and the rotor.

Ultrasonic influence on evolution of disordered dislocation structures

NASA Astrophysics Data System (ADS)

Bachurin, D. V.; Murzaev, R. T.; Nazarov, A. A.

2017-12-01

Evolution of disordered dislocation structures under ultrasonic influence is studied in a model two-dimensional grain within the discrete-dislocation approach. Non-equilibrium grain boundary state is mimicked by a mesodefect located at the corners of the grain, stress field of which is described by that of a wedge junction disclination quadrupole. Significant rearrangement related to gliding of lattice dislocations towards the grain boundaries is found, which results in a noticeable reduction of internal stress fields and cancel of disclination quadrupole. The process of dislocation structure evolution passes through two stages: rapid and slow. The main dislocation rearrangement occurs during the first stage. Reduction of internal stress fields is associated with the number of dislocations entered into the grain boundaries. The change of misorientation angle due to lattice dislocations absorbed by the grain boundaries is evaluated. Amplitude of ultrasonic treatment significantly influences the relaxation of dislocation structure. Preliminary elastic relaxation of dislocation structure does not affect substantially the results of the following ultrasonic treatment. Substantial grain size dependence of relaxation of disordered dislocation systems is found. Simulation results are consistent with experimental data.

Force-Field Prediction of Materials Properties in Metal-Organic Frameworks

PubMed Central

2016-01-01

In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can be observed when looking at properties sensitive to framework vibrational modes. This observation is more pronounced upon the introduction of framework charges. PMID:28008758

Communication: Multiple atomistic force fields in a single enhanced sampling simulation

NASA Astrophysics Data System (ADS)

Hoang Viet, Man; Derreumaux, Philippe; Nguyen, Phuong H.

2015-07-01

The main concerns of biomolecular dynamics simulations are the convergence of the conformational sampling and the dependence of the results on the force fields. While the first issue can be addressed by employing enhanced sampling techniques such as simulated tempering or replica exchange molecular dynamics, repeating these simulations with different force fields is very time consuming. Here, we propose an automatic method that includes different force fields into a single advanced sampling simulation. Conformational sampling using three all-atom force fields is enhanced by simulated tempering and by formulating the weight parameters of the simulated tempering method in terms of the energy fluctuations, the system is able to perform random walk in both temperature and force field spaces. The method is first demonstrated on a 1D system and then validated by the folding of the 10-residue chignolin peptide in explicit water.

Three-Dimensional Mid-Air Acoustic Manipulation by Ultrasonic Phased Arrays

PubMed Central

Ochiai, Yoichi; Hoshi, Takayuki; Rekimoto, Jun

2014-01-01

The essence of levitation technology is the countervailing of gravity. It is known that an ultrasound standing wave is capable of suspending small particles at its sound pressure nodes. The acoustic axis of the ultrasound beam in conventional studies was parallel to the gravitational force, and the levitated objects were manipulated along the fixed axis (i.e. one-dimensionally) by controlling the phases or frequencies of bolted Langevin-type transducers. In the present study, we considered extended acoustic manipulation whereby millimetre-sized particles were levitated and moved three-dimensionally by localised ultrasonic standing waves, which were generated by ultrasonic phased arrays. Our manipulation system has two original features. One is the direction of the ultrasound beam, which is arbitrary because the force acting toward its centre is also utilised. The other is the manipulation principle by which a localised standing wave is generated at an arbitrary position and moved three-dimensionally by opposed and ultrasonic phased arrays. We experimentally confirmed that expanded-polystyrene particles of 0.6 mm, 1 mm, and 2 mm in diameter could be manipulated by our proposed method. PMID:24849371

CHARMM additive and polarizable force fields for biophysics and computer-aided drug design

PubMed Central

Vanommeslaeghe, K.

2014-01-01

Background Molecular Mechanics (MM) is the method of choice for computational studies of biomolecular systems owing to its modest computational cost, which makes it possible to routinely perform molecular dynamics (MD) simulations on chemical systems of biophysical and biomedical relevance. Scope of Review As one of the main factors limiting the accuracy of MD results is the empirical force field used, the present paper offers a review of recent developments in the CHARMM additive force field, one of the most popular bimolecular force fields. Additionally, we present a detailed discussion of the CHARMM Drude polarizable force field, anticipating a growth in the importance and utilization of polarizable force fields in the near future. Throughout the discussion emphasis is placed on the force fields’ parametrization philosophy and methodology. Major Conclusions Recent improvements in the CHARMM additive force field are mostly related to newly found weaknesses in the previous generation of additive force fields. Beyond the additive approximation is the newly available CHARMM Drude polarizable force field, which allows for MD simulations of up to 1 microsecond on proteins, DNA, lipids and carbohydrates. General Significance Addressing the limitations ensures the reliability of the new CHARMM36 additive force field for the types of calculations that are presently coming into routine computational reach while the availability of the Drude polarizable force fields offers a model that is an inherently more accurate model of the underlying physical forces driving macromolecular structures and dynamics. PMID:25149274

A Finite-Element Method Model of Soft Tissue Response to Impulsive Acoustic Radiation Force

PubMed Central

Palmeri, Mark L.; Sharma, Amy C.; Bouchard, Richard R.; Nightingale, Roger W.; Nightingale, Kathryn R

2010-01-01

Several groups are studying acoustic radiation force and its ability to image the mechanical properties of tissue. Acoustic radiation force impulse (ARFI) imaging is one modality using standard diagnostic ultrasound scanners to generate localized, impulsive, acoustic radiation forces in tissue. The dynamic response of tissue is measured via conventional ultrasonic speckle-tracking methods and provides information about the mechanical properties of tissue. A finite-element method (FEM) model has been developed that simulates the dynamic response of tissues, with and without spherical inclusions, to an impulsive acoustic radiation force excitation from a linear array transducer. These FEM models were validated with calibrated phantoms. Shear wave speed, and therefore elasticity, dictates tissue relaxation following ARFI excitation, but Poisson’s ratio and density do not significantly alter tissue relaxation rates. Increased acoustic attenuation in tissue increases the relative amount of tissue displacement in the near field compared with the focal depth, but relaxation rates are not altered. Applications of this model include improving image quality, and distilling material and structural information from tissue’s dynamic response to ARFI excitation. Future work on these models includes incorporation of viscous material properties and modeling the ultrasonic tracking of displaced scatterers. PMID:16382621

Development and field application of a nonlinear ultrasonic modulation technique for fatigue crack detection without reference data from an intact condition

NASA Astrophysics Data System (ADS)

Lim, Hyung Jin; Kim, Yongtak; Koo, Gunhee; Yang, Suyoung; Sohn, Hoon; Bae, In-hwan; Jang, Jeong-Hwan

2016-09-01

In this study, a fatigue crack detection technique, which detects a fatigue crack without relying on any reference data obtained from the intact condition of a target structure, is developed using nonlinear ultrasonic modulation and applied to a real bridge structure. Using two wafer-type lead zirconate titanate (PZT) transducers, ultrasonic excitations at two distinctive frequencies are applied to a target inspection spot and the corresponding ultrasonic response is measured by another PZT transducer. Then, the nonlinear modulation components produced by a breathing-crack are extracted from the measured ultrasonic response, and a statistical classifier, which can determine if the nonlinear modulation components are statistically significant in comparison with the background noise level, is proposed. The effectiveness of the proposed fatigue crack detection technique is experimentally validated using the data obtained from aluminum plates and aircraft fitting-lug specimens under varying temperature and loading conditions, and through a field testing of Yeongjong Grand Bridge in South Korea. The uniqueness of this study lies in that (1) detection of a micro fatigue crack with less than 1 μm width and fatigue cracks in the range of 10-20 μm in width using nonlinear ultrasonic modulation, (2) automated detection of fatigue crack formation without using reference data obtained from an intact condition, (3) reliable and robust diagnosis under varying temperature and loading conditions, (4) application of a local fatigue crack detection technique to online monitoring of a real bridge.

CHARMM additive and polarizable force fields for biophysics and computer-aided drug design.

PubMed

Vanommeslaeghe, K; MacKerell, A D

2015-05-01

Molecular Mechanics (MM) is the method of choice for computational studies of biomolecular systems owing to its modest computational cost, which makes it possible to routinely perform molecular dynamics (MD) simulations on chemical systems of biophysical and biomedical relevance. As one of the main factors limiting the accuracy of MD results is the empirical force field used, the present paper offers a review of recent developments in the CHARMM additive force field, one of the most popular biomolecular force fields. Additionally, we present a detailed discussion of the CHARMM Drude polarizable force field, anticipating a growth in the importance and utilization of polarizable force fields in the near future. Throughout the discussion emphasis is placed on the force fields' parametrization philosophy and methodology. Recent improvements in the CHARMM additive force field are mostly related to newly found weaknesses in the previous generation of additive force fields. Beyond the additive approximation is the newly available CHARMM Drude polarizable force field, which allows for MD simulations of up to 1μs on proteins, DNA, lipids and carbohydrates. Addressing the limitations ensures the reliability of the new CHARMM36 additive force field for the types of calculations that are presently coming into routine computational reach while the availability of the Drude polarizable force fields offers an inherently more accurate model of the underlying physical forces driving macromolecular structures and dynamics. This article is part of a Special Issue entitled "Recent developments of molecular dynamics". Copyright © 2014 Elsevier B.V. All rights reserved.

Ultrasonic enhancing amorphization during synthesis of calcium phosphate.

PubMed

He, Kun; Xiao, Gui-Yong; Xu, Wen-Hua; Zhu, Rui-Fu; Lu, Yu-Peng

2014-03-01

Amorphous calcium phosphate (ACP) has great application potential in biomaterials field due to its non-cytotoxicity, high bioactivity, good cytocompatibility, and so on. The results of this research demonstrated that ultrasonic obviously enhanced amorphization during synthesis of calcium phosphate. The ACP phase was relatively ideal when the solvent of Ca(NO3)2·4H2O was ethanol and the solvent of (NH4)2HPO4 was a mixture of water and ethanol, under ultrasonic. In-situ crystallization of ACP could be observed by HRTEM. The mechanism on the effects of ultrasonic on amorphization of the synthesized calcium phosphate was discussed. It was suggested that ultrasonic synthesis might be a facile method to prepare pure and safe ACP related biomaterials. Copyright © 2013 Elsevier B.V. All rights reserved.

The Introduction of Fields in Relation to Force

ERIC Educational Resources Information Center

Brunt, Marjorie; Brunt, Geoff

2012-01-01

The introduction of force at age 14-16 years is considered, starting with elementary student experiments using magnetic force fields. The meaningless use of terms such as "action" and "reaction", or "agent" and "receiver" is discussed. (Contains 6 figures.)

Flows, Fields, and Forces in the Mars-Solar Wind Interaction

NASA Astrophysics Data System (ADS)

Halekas, J. S.; Brain, D. A.; Luhmann, J. G.; DiBraccio, G. A.; Ruhunusiri, S.; Harada, Y.; Fowler, C. M.; Mitchell, D. L.; Connerney, J. E. P.; Espley, J. R.; Mazelle, C.; Jakosky, B. M.

2017-11-01

We utilize suprathermal ion and magnetic field measurements from the Mars Atmosphere and Volatile EvolutioN (MAVEN) mission, organized by the upstream magnetic field, to investigate the morphology and variability of flows, fields, and forces in the Mars-solar wind interaction. We employ a combination of case studies and statistical investigations to characterize the interaction in both quasi-parallel and quasi-perpendicular regions and under high and low solar wind Mach number conditions. For the first time, we include a detailed investigation of suprathermal ion temperature and anisotropy. We find that the observed magnetic fields and suprathermal ion moments in the magnetosheath, bow shock, and upstream regions have observable asymmetries controlled by the interplanetary magnetic field, with particularly large asymmetries found in the ion parallel temperature and anisotropy. The greatest temperature anisotropies occur in quasi-perpendicular regions of the magnetosheath and under low Mach number conditions. These results have implications for the growth and evolution of wave-particle instabilities and their role in energy transport and dissipation. We utilize the measured parameters to estimate the average ion pressure gradient, J × B, and v × B macroscopic force terms. The pressure gradient force maintains nearly cylindrical symmetry, while the J × B force has larger asymmetries and varies in magnitude in comparison to the pressure gradient force. The v × B force felt by newly produced planetary ions exceeds the other forces in magnitude in the magnetosheath and upstream regions for all solar wind conditions.

Perspective: Ab initio force field methods derived from quantum mechanics

NASA Astrophysics Data System (ADS)

Xu, Peng; Guidez, Emilie B.; Bertoni, Colleen; Gordon, Mark S.

2018-03-01

It is often desirable to accurately and efficiently model the behavior of large molecular systems in the condensed phase (thousands to tens of thousands of atoms) over long time scales (from nanoseconds to milliseconds). In these cases, ab initio methods are difficult due to the increasing computational cost with the number of electrons. A more computationally attractive alternative is to perform the simulations at the atomic level using a parameterized function to model the electronic energy. Many empirical force fields have been developed for this purpose. However, the functions that are used to model interatomic and intermolecular interactions contain many fitted parameters obtained from selected model systems, and such classical force fields cannot properly simulate important electronic effects. Furthermore, while such force fields are computationally affordable, they are not reliable when applied to systems that differ significantly from those used in their parameterization. They also cannot provide the information necessary to analyze the interactions that occur in the system, making the systematic improvement of the functional forms that are used difficult. Ab initio force field methods aim to combine the merits of both types of methods. The ideal ab initio force fields are built on first principles and require no fitted parameters. Ab initio force field methods surveyed in this perspective are based on fragmentation approaches and intermolecular perturbation theory. This perspective summarizes their theoretical foundation, key components in their formulation, and discusses key aspects of these methods such as accuracy and formal computational cost. The ab initio force fields considered here were developed for different targets, and this perspective also aims to provide a balanced presentation of their strengths and shortcomings. Finally, this perspective suggests some future directions for this actively developing area.

The Energetics of Motivated Cognition: A Force-Field Analysis

ERIC Educational Resources Information Center

Kruglanski, Arie W.; Belanger, Jocelyn J.; Chen, Xiaoyan; Kopetz, Catalina; Pierro, Antonio; Mannetti, Lucia

2012-01-01

A force-field theory of motivated cognition is presented and applied to a broad variety of phenomena in social judgment and self-regulation. Purposeful cognitive activity is assumed to be propelled by a "driving force" and opposed by a "restraining force". "Potential" driving force represents the maximal amount of energy an individual is prepared…

Design and performance testing of an ultrasonic linear motor with dual piezoelectric actuators.

PubMed

Smithmaitrie, Pruittikorn; Suybangdum, Panumas; Laoratanakul, Pitak; Muensit, Nantakan

2012-05-01

In this work, design and performance testing of an ultrasonic linear motor with dual piezoelectric actuator patches are studied. The motor system consists of a linear stator, a pre-load weight, and two piezoelectric actuator patches. The piezoelectric actuators are bonded with the linear elastic stator at specific locations. The stator generates propagating waves when the piezoelectric actuators are subjected to harmonic excitations. Vibration characteristics of the linear stator are analyzed and compared with finite element and experimental results. The analytical, finite element, and experimental results show agreement. In the experiments, performance of the ultrasonic linear motor is tested. Relationships between velocity and pre-load weight, velocity and applied voltage, driving force and applied voltage, and velocity and driving force are reported. The design of the dual piezoelectric actuators yields a simpler structure with a smaller number of actuators and lower stator stiffness compared with a conventional design of an ultrasonic linear motor with fully laminated piezoelectric actuators.

Force-field prediction of materials properties in metal-organic frameworks

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

Boyd, Peter G.; Moosavi, Seyed Mohamad; Witman, Matthew

In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can bemore » observed when looking at properties sensitive to framework vibrational modes. As a result, this observation is more pronounced upon the introduction of framework charges.« less

Force-field prediction of materials properties in metal-organic frameworks

DOE PAGES

Boyd, Peter G.; Moosavi, Seyed Mohamad; Witman, Matthew; ...

2016-12-23

In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can bemore » observed when looking at properties sensitive to framework vibrational modes. As a result, this observation is more pronounced upon the introduction of framework charges.« less

Acute and subacute effects of the ultrasonic blade and electrosurgery on nerve physiology.

PubMed

Chen, Chaoyang; Kallakuri, Srinivasu; Cavanaugh, John M; Broughton, Duan; Clymer, Jeffrey W

2015-01-01

Ultrasonic blades have been shown to cause less acute electrophysiological damage when applied near nerves than monopolar electrosurgery (ES). This study was performed to determine whether the acute nerve damage observed for ES, as well as the relative lack of damage observed for ultrasonic dissection, extends through a subacute timeframe. Muscle incisions were made in rat with the Harmonic(®) Blade (HB) and ES at a distance of 2 mm from the sciatic nerve. Sham surgery was also performed which consisted of similar exposure of the sciatic nerve without use of an energized device. Electrophysiological function was assessed acutely over a 3-h period, and subacutely after a 7-day survival, by monitoring the sciatic nerve compound action potential (CAP), conduction velocity (CV), von Frey hair (VFH) stimulation force, leukocyte infiltration, and impaired axonal transport via β-amyloid precursor protein (β-APP) immunocytochemistry. During the acute period, ES produced significantly lower CAP and CV, and higher levels of leukocytes and β-APP than sham, whereas the ultrasonic blade was not significantly different from sham, and had significantly lower VFH force than ES. After the subacute survival, ES continued to display significantly lower CAP and CV, and higher levels of leukocytes and β-APP than sham, whereas ultrasonic blade had higher CAP and CV than sham, and lower VFH than ES. This study confirms that incisions made with an ultrasonic blade cause less acute nerve damage than monopolar ES, and are comparable to sham surgery at a distance of 2 mm from the sciatic nerve. The negative effects of electrosurgery extend through at least a 7-day survival period, whereas subacute recovery after application of the ultrasonic blade was comparable to that of sham surgery. For surgical procedures in the vicinity of vital nerves, use of the ultrasonic blade represents a lower risk than ES for both acute and subacute neural trauma.

Field method for the determination of hexavalent chromium by ultrasonication and strong anion-exchange solid-phase extraction.

PubMed

Wang, J; Ashley, K; Marlow, D; England, E C; Carlton, G

1999-03-01

A simple, fast, sensitive, and economical field method was developed and evaluated for the determination of hexavalent chromium (CrVI) in environmental and workplace air samples. By means of ultrasonic extraction in combination with a strong anion-exchange solid-phase extraction (SAE-SPE) technique, the filtration, isolation, and determination of CrVI in the presence of trivalent chromium (CrIII) and potential interferents was achieved. The method entails (1) ultrasonication in basic ammonium buffer solution to extract CrVI from environmental matrixes; (2) SAE-SPE to separate CrVI from CrIII and interferences; (3) elution/acidification of the eluate; (4) complexation of chromium with 1,5-diphenylcarbazide; and (5) spectrophotometric determination of the colored chromium-diphenylcarbazone complex. Several critical parameters were optimized in order to effect the extraction of both soluble (K2CrO4) and insoluble (PbCrO4) forms of CrVI without inducing CrIII oxidation or CrVI reduction. The method allowed for the dissolution and purification of CrVI from environmental and workplace air sample matrixes for up to 24 samples simultaneously in less than 90 min (including ultrasonication). The results demonstrated that the method was simple, fast, quantitative, and sufficiently sensitive for the determination of occupational exposures of CrVI. The method is applicable for on-site monitoring of CrVI in environmental and industrial hygiene samples.

Mitigated-force carriage for high magnetic field environments

DOEpatents

Ludtka, Gerard M; Ludtka, Gail M; Wilgen, John B; Murphy, Bart L

2014-05-20

A carriage for high magnetic field environments includes a first work-piece holding means for holding a first work-piece, the first work-piece holding means being disposed in an operable relationship with a work-piece processing magnet having a magnetic field strength of at least 1 Tesla. The first work-piece holding means is further disposed in operable connection with a second work-piece holding means for holding a second work-piece so that, as the first work-piece is inserted into the magnetic field, the second work-piece is simultaneously withdrawn from the magnetic field, so that an attractive magnetic force imparted on the first work-piece offsets a resistive magnetic force imparted on the second work-piece.

Three Dimensional Distribution of Sensitive Field and Stress Field Inversion of Force Sensitive Materials under Constant Current Excitation.

PubMed

Zhao, Shuanfeng; Liu, Min; Guo, Wei; Zhang, Chuanwei

2018-02-28

Force sensitive conductive composite materials are functional materials which can be used as the sensitive material of force sensors. However, the existing sensors only use one-dimensional electrical properties of force sensitive conductive materials. Even in tactile sensors, the measurement of contact pressure is achieved by large-scale arrays and the units of a large-scale array are also based on the one-dimensional electrical properties of force sensitive materials. The main contribution of this work is to study the three-dimensional electrical properties and the inversion method of three-dimensional stress field of a force sensitive material (conductive rubber), which pushes the application of force sensitive material from one dimensional to three-dimensional. First, the mathematical model of the conductive rubber current field distribution under a constant force is established by the effective medium theory, and the current field distribution model of conductive rubber with different geometry, conductive rubber content and conductive rubber relaxation parameters is deduced. Secondly, the inversion method of the three-dimensional stress field of conductive rubber is established, which provides a theoretical basis for the design of a new tactile sensor, three-dimensional stress field and space force based on force sensitive materials.

Concepts and techniques for ultrasonic evaluation of material mechanical properties

NASA Technical Reports Server (NTRS)

Vary, A.

1980-01-01

Ultrasonic methods that can be used for material strength are reviewed. Emergency technology involving advanced ultrasonic techniques and associated measurements is described. It is shown that ultrasonic NDE is particularly useful in this area because it involves mechanical elastic waves that are strongly modulated by morphological factors that govern mechanical strength and also dynamic failure modes. These aspects of ultrasonic NDE are described in conjunction with advanced approaches and theoretical concepts for signal acquisition and analysis for materials characterization. It is emphasized that the technology is in its infancy and that much effort is still required before the techniques and concepts can be transferred from laboratory to field conditions.

Contact analysis and experimental investigation of a linear ultrasonic motor.

PubMed

Lv, Qibao; Yao, Zhiyuan; Li, Xiang

2017-11-01

The effects of surface roughness are not considered in the traditional motor model which fails to reflect the actual contact mechanism between the stator and slider. An analytical model for calculating the tangential force of linear ultrasonic motor is proposed in this article. The presented model differs from the previous spring contact model, the asperities in contact between stator and slider are considered. The influences of preload and exciting voltage on tangential force in moving direction are analyzed. An experiment is performed to verify the feasibility of this proposed model by comparing the simulation results with the measured data. Moreover, the proposed model and spring model are compared. The results reveal that the proposed model is more accurate than spring model. The discussion is helpful for designing and modeling of linear ultrasonic motors. Copyright © 2017 Elsevier B.V. All rights reserved.

Modeling cavitation in a rapidly changing pressure field - application to a small ultrasonic horn.

PubMed

Žnidarčič, Anton; Mettin, Robert; Dular, Matevž

2015-01-01

Ultrasonic horn transducers are frequently used in applications of acoustic cavitation in liquids. It has been observed that if the horn tip is sufficiently small and driven at high amplitude, cavitation is very strong, and the tip can be covered entirely by the gas/vapor phase for longer time intervals. A peculiar dynamics of the attached cavity can emerge with expansion and collapse at a self-generated frequency in the subharmonic range, i.e. below the acoustic driving frequency. The term "acoustic supercavitation" was proposed for this type of cavitation Žnidarčič et al. (2014) [1]. We tested several established hydrodynamic cavitation models on this problem, but none of them was able to correctly predict the flow features. As a specific characteristic of such acoustic cavitation problems lies in the rapidly changing driving pressures, we present an improved approach to cavitation modeling, which does not neglect the second derivatives in the Rayleigh-Plesset equation. Comparison with measurements of acoustic supercavitation at an ultrasonic horn of 20kHz frequency revealed a good agreement in terms of cavity dynamics, cavity volume and emitted pressure pulsations. The newly developed cavitation model is particularly suited for simulation of cavitating flow in highly fluctuating driving pressure fields. Copyright © 2014 Elsevier B.V. All rights reserved.

Ultrasonic pipe assessment

DOEpatents

Thomas, Graham H.; Morrow, Valerie L.; Levie, Harold; Kane, Ronald J.; Brown, Albert E.

2003-12-23

An ultrasonic pipe or other structure assessment system includes an ultrasonic transducer positioned proximate the pipe or other structure. A fluid connection between the ultrasonic transducer and the pipe or other structure is produced. The ultrasonic transducer is moved relative to the pipe or other structure.

Interaction Forces Between Multiple Bodies in a Magnetic Field

NASA Technical Reports Server (NTRS)

Joffe, Benjamin

1996-01-01

Some of the results from experiments to determine the interaction forces between multiple bodies in a magnetic field are presented in this paper. It is shown how the force values and the force directions depend on the configuration of the bodies, their relative positions to each other, and the vector of the primary magnetic field. A number of efficient new automatic loading and assembly machines, as well as manipulators and robots, have been created based on the relationship between bodies and magnetic fields. A few of these patented magnetic devices are presented. The concepts involved open a new way to design universal grippers for robot and other kinds of mechanisms for the manipulation of objects. Some of these concepts can be used for space applications.

Molecular dynamics simulations of methane hydrate using polarizable force fields

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

Jiang, H.N.; Jordan, K.D.; Taylor, C.E.

2007-06-14

Molecular dynamics simulations of methane hydrate have been carried out using the polarizable AMOEBA and COS/G2 force fields. Properties calculated include the temperature dependence of the lattice constant, the OC and OO radial distribution functions, and the vibrational spectra. Both the AMOEBA and COS/G2 force fields are found to successfully account for the available experimental data, with overall somewhat better agreement with experiment being found for the AMOEBA model. Comparison is made with previous results obtained using TIP4P and SPC/E effective two-body force fields and the polarizable TIP4P-FQ force field, which allows for in-plane polarization only. Significant differences are foundmore » between the properties calculated using the TIP4P-FQ model and those obtained using the other models, indicating an inadequacy of restricting explicit polarization to in-plane onl« less

Six component robotic force-torque sensor

NASA Technical Reports Server (NTRS)

Grahn, Allen R.; Hutchings, Brad L.; Johnston, David R.; Parsons, David C.; Wyatt, Roland F.

1987-01-01

The results of a two-phase contract studying the feasibility of a miniaturized six component force-torque sensor and development of a working laboratory system were described. The principle of operation is based upon using ultrasonic pulse-echo ranging to determine the position of ultrasonic reflectors attached to a metal or ceramic cover plate. Because of the small size of the sensor, this technology may have application in robotics, to sense forces and torques at the finger tip of a robotic end effector. Descriptions are included of laboratory experiments evaluating materials and techniques for sensor fabrication and of the development of support electronics for data acquisition, computer interface, and operator display.

Method and system of measuring ultrasonic signals in the plane of a moving web

DOEpatents

Hall, Maclin S.; Jackson, Theodore G.; Wink, Wilmer A.; Knerr, Christopher

1996-01-01

An improved system for measuring the velocity of ultrasonic signals within the plane of moving web-like materials, such as paper, paperboard and the like. In addition to velocity measurements of ultrasonic signals in the plane of the web in the machine direction, MD, and a cross direction, CD, generally perpendicular to the direction of the traveling web, therefor, one embodiment of the system in accordance with the present invention is also adapted to provide on-line indication of the polar specific stiffness of the moving web. In another embodiment of the invention, the velocity of ultrasonic signals in the plane of the web are measured by way of a plurality of ultrasonic transducers carried by synchronously driven wheels or cylinders, thus eliminating undue transducer wear due to any speed differences between the transducers and the web. In order to provide relatively constant contact force between the transducers and the webs, the transducers are mounted in a sensor housings which include a spring for biasing the transducer radially outwardly. The sensor housings are adapted to be easily and conveniently mounted to the carrier to provide a relatively constant contact force between the transducers and the moving web.

Ultrasonication of Bismuth Telluride Nanocrystals Fabricated by Solvothermal Method

NASA Technical Reports Server (NTRS)

Chu, Sang-Hyon; Choi, Sang H.; Kim, Jae-Woo; King, Glen C.; Elliott, James R.

2006-01-01

The objective of this study is to evaluate the effect of ultrasonication on bismuth telluride nanocrystals prepared by solvothermal method. In this study, a low dimensional nanocrystal of bismuth telluride (Bi2Te3) was synthesized by a solvothermal process in an autoclave at 180 C and 200 psi. During the solvothermal reaction, organic surfactants effectively prevented unwanted aggregation of nanocrystals in a selected solvent while controlling the shape of the nanocrystal. The atomic ratio of bismuth and tellurium was determined by energy dispersive spectroscopy (EDS). The cavitational energy created by the ultrasonic probe was varied by the ultrasonication process time, while power amplitude remained constant. The nanocrystal size and its size distribution were measured by field emission scanning electron microscopy (FESEM) and a dynamic light scattering system. When the ultrasonication time increased, the average size of bismuth telluride nanocrystal gradually increased due to the direct collision of nanocrystals. The polydispersity of the nanocrystals showed a minimum when the ultrasonication was applied for 5 min. Keywords: bismuth telluride, nanocrystal, low-dimensional, ultrasonication, solvothermal

Effects of ultrasonic disintegration of excess sludge obtained in disintegrators of different constructions.

PubMed

Zielewicz, Ewa; Tytła, Malwina

2015-01-01

The ultrasonic disintegration of excess sludge is placed after the mechanical thickening but before the digestion tanks in order to intensify the process of sludge stabilization. The effects obtained directly after ultrasonic disintegration depend on many factors and can be grouped in two main categories: factors affecting the quality of sludge and those associated with the construction of disintegrators and its parameters. The ultrasonic disintegration research was carried out using three types of structural solutions of disintegrators. Two of them, that is, WK-2000 ultrasonic generator (P = 400 W) working with a thin sonotrode and WK-2010 ultrasonic generator (P = 100-1000 W) working with a new type construction emitter lens sonotrode, were compared with the influence of a washer with a flat emitter. The investigations have shown that in the same sludge, using the same value of volumetric energy, the resulting effect depends on the construction of the ultrasonic disintegrator, that is, design of the head and the ratio between the field of the emitter and the field of the chamber in sonicated medium.

Ultrasonic Nondestructive Characterization of Adhesive Bonds

NASA Technical Reports Server (NTRS)

Qu, Jianmin

1999-01-01

interface binding force, a quantitative method was presented. Recently, a comparison between the experimental and simulated results based on a similar theoretical model was presented. A through-transmission setup for water immersion mode-converted shear waves was used to analyze the ultrasonic nonlinear parameter of an adhesive bond. In addition, ultrasonic guided waves have been used to analyze adhesive or diffusion bonded joints. In this paper, the ultrasonic nonlinear parameter is used to characterize the curing state of a polymer/aluminum adhesive joint. Ultrasonic through-transmission tests were conducted on samples cured under various conditions. The magnitude of the second order harmonic was measured and the corresponding ultrasonic nonlinear parameter was evaluated. A fairly good correlation between the curing condition and the nonlinear parameter is observed. The results show that the nonlinear parameter might be used as a good indicator of the cure state for adhesive joints.

Assessment of a Cavity to Optimize Ultrasonic Efficiency to Remove Intraradicular Posts.

PubMed

Graça, Izabela Araujo Aguiar; Sponchiado Júnior, Emílio Carlos; Marques, André Augusto Franco; de Moura Martins, Leandro; Garrido, Ângela Delfina Bittencourt

2017-08-01

The study assessed an in vitro protocol for the removal of cast metal posts using ultrasonic vibration in multirooted teeth by drilling a cavity in the coronal portion of the post followed by ultrasound application in the cavity. Forty endodontically treated molars received intraradicular cast posts and were divided into 4 groups according to the removal protocol: the control group, no cavity and no ultrasonic vibration; the ultrasonic group, no cavity and ultrasonic vibration in the coronal portion of the core; the cavity group, a cavity in the core and no ultrasonic vibration; and the cavity ultrasonic group, a cavity in the core and ultrasonic vibration inside the cavity. The traction test was performed on all samples using a universal testing machine (EMIC DL-2000; EMIC Equipamentos e Sistemas de Ensaio LTDA, São José dos Pinhais, PR, Brazil) at a speed of 1 mm/min, obtaining values in Newtons. The data were statistically analyzed using analysis of variance and the Tukey-Kramer test (P < .05). The results showed statistically significant differences between the tested groups (control group = 322.74 N, ultrasonic group = 283.09 N, cavity group = 244.00 N, and cavity ultrasonic group = 237.69 N). The lowest mean strength was found in the group that received ultrasonic vibration inside the cavity. Preparing a cavity in the coronal core followed by ultrasonic vibration reduces the traction force required for removal. The removal protocol was effective for removing posts in multirooted teeth cemented with zinc phosphate. Copyright © 2017 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

Thermodynamic properties for applications in chemical industry via classical force fields.

PubMed

Guevara-Carrion, Gabriela; Hasse, Hans; Vrabec, Jadran

2012-01-01

Thermodynamic properties of fluids are of key importance for the chemical industry. Presently, the fluid property models used in process design and optimization are mostly equations of state or G (E) models, which are parameterized using experimental data. Molecular modeling and simulation based on classical force fields is a promising alternative route, which in many cases reasonably complements the well established methods. This chapter gives an introduction to the state-of-the-art in this field regarding molecular models, simulation methods, and tools. Attention is given to the way modeling and simulation on the scale of molecular force fields interact with other scales, which is mainly by parameter inheritance. Parameters for molecular force fields are determined both bottom-up from quantum chemistry and top-down from experimental data. Commonly used functional forms for describing the intra- and intermolecular interactions are presented. Several approaches for ab initio to empirical force field parameterization are discussed. Some transferable force field families, which are frequently used in chemical engineering applications, are described. Furthermore, some examples of force fields that were parameterized for specific molecules are given. Molecular dynamics and Monte Carlo methods for the calculation of transport properties and vapor-liquid equilibria are introduced. Two case studies are presented. First, using liquid ammonia as an example, the capabilities of semi-empirical force fields, parameterized on the basis of quantum chemical information and experimental data, are discussed with respect to thermodynamic properties that are relevant for the chemical industry. Second, the ability of molecular simulation methods to describe accurately vapor-liquid equilibrium properties of binary mixtures containing CO(2) is shown.

A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants

PubMed Central

Ewen, James P.; Gattinoni, Chiara; Thakkar, Foram M.; Morgan, Neal; Spikes, Hugh A.; Dini, Daniele

2016-01-01

For the successful development and application of lubricants, a full understanding of their complex nanoscale behavior under a wide range of external conditions is required, but this is difficult to obtain experimentally. Nonequilibrium molecular dynamics (NEMD) simulations can be used to yield unique insights into the atomic-scale structure and friction of lubricants and additives; however, the accuracy of the results depend on the chosen force-field. In this study, we demonstrate that the use of an accurate, all-atom force-field is critical in order to; (i) accurately predict important properties of long-chain, linear molecules; and (ii) reproduce experimental friction behavior of multi-component tribological systems. In particular, we focus on n-hexadecane, an important model lubricant with a wide range of industrial applications. Moreover, simulating conditions common in tribological systems, i.e., high temperatures and pressures (HTHP), allows the limits of the selected force-fields to be tested. In the first section, a large number of united-atom and all-atom force-fields are benchmarked in terms of their density and viscosity prediction accuracy of n-hexadecane using equilibrium molecular dynamics (EMD) simulations at ambient and HTHP conditions. Whilst united-atom force-fields accurately reproduce experimental density, the viscosity is significantly under-predicted compared to all-atom force-fields and experiments. Moreover, some all-atom force-fields yield elevated melting points, leading to significant overestimation of both the density and viscosity. In the second section, the most accurate united-atom and all-atom force-field are compared in confined NEMD simulations which probe the structure and friction of stearic acid adsorbed on iron oxide and separated by a thin layer of n-hexadecane. The united-atom force-field provides an accurate representation of the structure of the confined stearic acid film; however, friction coefficients are consistently

A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants.

PubMed

Ewen, James P; Gattinoni, Chiara; Thakkar, Foram M; Morgan, Neal; Spikes, Hugh A; Dini, Daniele

2016-08-02

For the successful development and application of lubricants, a full understanding of their complex nanoscale behavior under a wide range of external conditions is required, but this is difficult to obtain experimentally. Nonequilibrium molecular dynamics (NEMD) simulations can be used to yield unique insights into the atomic-scale structure and friction of lubricants and additives; however, the accuracy of the results depend on the chosen force-field. In this study, we demonstrate that the use of an accurate, all-atom force-field is critical in order to; (i) accurately predict important properties of long-chain, linear molecules; and (ii) reproduce experimental friction behavior of multi-component tribological systems. In particular, we focus on n -hexadecane, an important model lubricant with a wide range of industrial applications. Moreover, simulating conditions common in tribological systems, i.e., high temperatures and pressures (HTHP), allows the limits of the selected force-fields to be tested. In the first section, a large number of united-atom and all-atom force-fields are benchmarked in terms of their density and viscosity prediction accuracy of n -hexadecane using equilibrium molecular dynamics (EMD) simulations at ambient and HTHP conditions. Whilst united-atom force-fields accurately reproduce experimental density, the viscosity is significantly under-predicted compared to all-atom force-fields and experiments. Moreover, some all-atom force-fields yield elevated melting points, leading to significant overestimation of both the density and viscosity. In the second section, the most accurate united-atom and all-atom force-field are compared in confined NEMD simulations which probe the structure and friction of stearic acid adsorbed on iron oxide and separated by a thin layer of n -hexadecane. The united-atom force-field provides an accurate representation of the structure of the confined stearic acid film; however, friction coefficients are consistently

Novel concepts in near-field optics: from magnetic near-field to optical forces

NASA Astrophysics Data System (ADS)

Yang, Honghua

Driven by the progress in nanotechnology, imaging and spectroscopy tools with nanometer spatial resolution are needed for in situ material characterizations. Near-field optics provides a unique way to selectively excite and detect elementary electronic and vibrational interactions at the nanometer scale, through interactions of light with matter in the near-field region. This dissertation discusses the development and applications of near-field optical imaging techniques, including plasmonic material characterization, optical spectral nano-imaging and magnetic field detection using scattering-type scanning near-field optical microscopy (s-SNOM), and exploring new modalities of optical spectroscopy based on optical gradient force detection. Firstly, the optical dielectric functions of one of the most common plasmonic materials---silver is measured with ellipsometry, and analyzed with the Drude model over a broad spectral range from visible to mid-infrared. This work was motivated by the conflicting results of previous measurements, and the need for accurate values for a wide range of applications of silver in plasmonics, optical antennas, and metamaterials. This measurement provides a reference for dielectric functions of silver used in metamaterials, plasmonics, and nanophotonics. Secondly, I implemented an infrared s-SNOM instrument for spectroscopic nano-imaging at both room temperature and low temperature. As one of the first cryogenic s-SNOM instruments, the novel design concept and key specifications are discussed. Initial low-temperature and high-temperature performances of the instrument are examined by imaging of optical conductivity of vanadium oxides (VO2 and V2O 3) across their phase transitions. The spectroscopic imaging capability is demonstrated on chemical vibrational resonances of Poly(methyl methacrylate) (PMMA) and other samples. The third part of this dissertation explores imaging of optical magnetic fields. As a proof-of-principle, the magnetic

Ultrasonic Interferometers Revisited

ERIC Educational Resources Information Center

Greenslade, Thomas B., Jr.

2007-01-01

I have been tinkering with ultrasonic transducers once more. In earlier notes I reported on optics-like experiments performed with ultrasonics, described a number of ultrasonic interferometers, and showed how ultrasonic transducers can be used for Fourier analysis. This time I became interested in trying the technique of using two detectors in…

Energetic balance in an ultrasonic reactor using focused or flat high frequency transducers.

PubMed

Hallez, L; Touyeras, F; Hihn, J Y; Klima, J

2007-09-01

In order to undertake irradiation of polymer blocks or films by ultrasound, this paper deals with the measurements of ultrasonic power and its distribution within the cell by several methods. The electric power measured at the transducer input is compared to the ultrasonic power input to the cell evaluated by calorimetry and radiation force measurement for different generator settings. Results obtained in the specific case of new transducer types (composites and focused composites i.e., HIFU: high intensity focused ultrasound) provide an opportunity to conduct a discussion about measurement methods. It has thus been confirmed that these measurement techniques can be applied to HIFU transducers. For all cases, results underlined the fact that measurement of radiation pressure for power evaluation is more adapted to low powers (<15 W) and that measurement by calorimetry is a valid technique for global energy measurements. Composites and monocomponent transducers were compared and it appears that the presence of an adaptation glass plate reduces the efficiency of the monocomponent transducers. The distribution of ultrasonic intensity is qualitatively depicted by sono-chemiluminescence of luminol. Finally, the quantity of energy absorbed by samples placed in the sound field is determined and the temperature distribution monitored as a function of wall distance. This energetic balance allows us to understand the global behaviour of all experimental set-ups made up of a generator-transducer-liquid and sample.

Modeling NDT piezoelectric ultrasonic transmitters.

PubMed

San Emeterio, J L; Ramos, A; Sanz, P T; Ruíz, A; Azbaid, A

2004-04-01

Ultrasonic NDT applications are frequently based on the spike excitation of piezoelectric transducers by means of efficient pulsers which usually include a power switching device (e.g. SCR or MOS-FET) and some rectifier components. In this paper we present an approximate frequency domain electro-acoustic model for pulsed piezoelectric ultrasonic transmitters which, by integrating partial models of the different stages (driving electronics, tuning/matching networks and broadband piezoelectric transducer), allows the computation of the emission transfer function and output force temporal waveform. An approximate frequency domain model is used for the evaluation of the electrical driving pulse from the spike generator. Tuning circuits, interconnecting cable and mechanical impedance matching layers are modeled by means of transmission lines and the classical quadripole approach. The KLM model is used for the piezoelectric transducer. In addition, a PSPICE scheme is used for an alternative simulation of the broadband driving spike, including the accurate evaluation of non-linear driving effects. Several examples illustrate the capabilities of the specifically developed software.

Dynamic ultrasonic contact detection using acoustic emissions.

PubMed

Turner, S L; Rabani, A; Axinte, D A; King, C W

2014-03-01

For a non-contact ultrasonic material removal process, the control of the standoff position can be crucial to process performance; particularly where the requirement is for a standoff of the order of <20 μm. The standoff distance relative to the surface to be machined can be set by first contacting the ultrasonic tool tip with the surface and then withdrawing the tool to the required position. Determination of this contact point in a dynamic system at ultrasonic frequencies (>20 kHz) is achieved by force measurement or by detection of acoustic emissions (AE). However, where detection of distance from a surface must be determined without contact taking place, an alternative method must be sought. In this paper, the effect of distance from contact of an ultrasonic tool is measured by detection of AE through the workpiece. At the point of contact, the amplitude of the signal at the fundamental frequency increases significantly, but the strength of the 2nd and 3rd harmonic signals increases more markedly. Closer examination of these harmonics shows that an increase in their intensities can be observed in the 10 μm prior to contact, providing a mechanism to detect near contact (<10 μm) without the need to first contact the surface in order to set a standoff. Copyright © 2013 Elsevier B.V. All rights reserved.

Energy buildup in sheared force-free magnetic fields

NASA Technical Reports Server (NTRS)

Wolfson, Richard; Low, Boon C.

1992-01-01

Photospheric displacement of the footpoints of solar magnetic field lines results in shearing and twisting of the field, and consequently in the buildup of electric currents and magnetic free energy in the corona. The sudden release of this free energy may be the origin of eruptive events like coronal mass ejections, prominence eruptions, and flares. An important question is whether such an energy release may be accompanied by the opening of magnetic field lines that were previously closed, for such open field lines can provide a route for matter frozen into the field to escape the sun altogether. This paper presents the results of numerical calculations showing that opening of the magnetic field is permitted energetically, in that it is possible to build up more free energy in a sheared, closed, force-free magnetic field than is in a related magnetic configuration having both closed and open field lines. Whether or not the closed force-free field attains enough energy to become partially open depends on the form of the shear profile; the results presented compare the energy buildup for different shear profiles. Implications for solar activity are discussed briefly.

Physics of direct-contact ultrasonic cloth drying process

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

Peng, Chang; Ravi, Saitej; Patel, Viral K.

Existing methods of drying fabrics involve energy-intensive thermal evaporation of moisture from clothes. Drying fabrics using high-frequency vibrations of piezoelectric transducers can substantially reduce drying time and energy consumption. In this method, vibrational energy generates instability on the liquid-air interface and mechanically ejects water from a wet fabric. For the first time, the physics of the ultrasonic fabric drying process in direct-contact mode is studied. The kinematic and thermal responses of water droplets and fabrics on piezoelectric crystal transducers and metal mesh–based transducers are studied. The results suggest that on piezoelectric crystal transducers, the response of a droplet subjected tomore » ultrasonic excitation is dictated by the relative magnitude of the surface tension and the ultrasonic excitation forces. The drying process for a fabric on the studied transducers consists of two regimes—vibrational and thermal. When the water content is high, the vibrational forces can eject bulk water rapidly. But the more strongly bound water within the smaller fabric pores evaporates by the thermal energy generated as a result of the viscous losses. Our study finds that a metal mesh–based transducer is more suitable for dewatering fabrics, as it facilitates the ejection of water from the fabric–transducer interface to the opposite side of the mesh. A demonstration unit developed consumes 10–20% of the water latent heat energy at water contents greater than 20%.« less

Physics of direct-contact ultrasonic cloth drying process

DOE PAGES

Peng, Chang; Ravi, Saitej; Patel, Viral K.; ...

2017-02-27

Existing methods of drying fabrics involve energy-intensive thermal evaporation of moisture from clothes. Drying fabrics using high-frequency vibrations of piezoelectric transducers can substantially reduce drying time and energy consumption. In this method, vibrational energy generates instability on the liquid-air interface and mechanically ejects water from a wet fabric. For the first time, the physics of the ultrasonic fabric drying process in direct-contact mode is studied. The kinematic and thermal responses of water droplets and fabrics on piezoelectric crystal transducers and metal mesh–based transducers are studied. The results suggest that on piezoelectric crystal transducers, the response of a droplet subjected tomore » ultrasonic excitation is dictated by the relative magnitude of the surface tension and the ultrasonic excitation forces. The drying process for a fabric on the studied transducers consists of two regimes—vibrational and thermal. When the water content is high, the vibrational forces can eject bulk water rapidly. But the more strongly bound water within the smaller fabric pores evaporates by the thermal energy generated as a result of the viscous losses. Our study finds that a metal mesh–based transducer is more suitable for dewatering fabrics, as it facilitates the ejection of water from the fabric–transducer interface to the opposite side of the mesh. A demonstration unit developed consumes 10–20% of the water latent heat energy at water contents greater than 20%.« less

Ultrasonic Nondestructive Evaluation Techniques Applied to the Quantitative Characterization of Textile Composite Materials

NASA Technical Reports Server (NTRS)

Miller, James G.

1998-01-01

An overall goal of this research has been to enhance our understanding of the scientific principles necessary to develop advanced ultrasonic nondestructive techniques for the quantitative characterization of advanced composite structures. To this end, we have investigated a thin woven composite (5-harness biaxial weave). We have studied the effects that variations of the physical parameters of the experimental setup can have on the ultrasonic determination of the material properties for this thin composite. In particular, we have considered the variation of the nominal center frequency and the f-number of the transmitting transducer which in turn address issues such as focusing and beam spread of ultrasonic fields. This study has employed a planar, two-dimensional, receiving pseudo-array that has permitted investigation of the diffraction patterns of ultrasonic fields. Distortion of the ultrasonic field due to the spatial anisotropy of the thin composite has prompted investigation of the phenomenon of phase cancellation at the face of a finite-aperture, piezoelectric receiver. We have performed phase-sensitive and phase-insensitive analyses to provide a measure of the amount of phase cancellation at the face of a finite-aperture, piezoelectric receiver. The pursuit of robust measurements of received energy (i.e., those not susceptible to phase cancellation at the face of a finite-aperture, piezoelectric receiver) supports the development of robust techniques to determine material properties from measure ultrasonic parameters.

A Maximum-Likelihood Approach to Force-Field Calibration.

PubMed

Zaborowski, Bartłomiej; Jagieła, Dawid; Czaplewski, Cezary; Hałabis, Anna; Lewandowska, Agnieszka; Żmudzińska, Wioletta; Ołdziej, Stanisław; Karczyńska, Agnieszka; Omieczynski, Christian; Wirecki, Tomasz; Liwo, Adam

2015-09-28

A new approach to the calibration of the force fields is proposed, in which the force-field parameters are obtained by maximum-likelihood fitting of the calculated conformational ensembles to the experimental ensembles of training system(s). The maximum-likelihood function is composed of logarithms of the Boltzmann probabilities of the experimental conformations, calculated with the current energy function. Because the theoretical distribution is given in the form of the simulated conformations only, the contributions from all of the simulated conformations, with Gaussian weights in the distances from a given experimental conformation, are added to give the contribution to the target function from this conformation. In contrast to earlier methods for force-field calibration, the approach does not suffer from the arbitrariness of dividing the decoy set into native-like and non-native structures; however, if such a division is made instead of using Gaussian weights, application of the maximum-likelihood method results in the well-known energy-gap maximization. The computational procedure consists of cycles of decoy generation and maximum-likelihood-function optimization, which are iterated until convergence is reached. The method was tested with Gaussian distributions and then applied to the physics-based coarse-grained UNRES force field for proteins. The NMR structures of the tryptophan cage, a small α-helical protein, determined at three temperatures (T = 280, 305, and 313 K) by Hałabis et al. ( J. Phys. Chem. B 2012 , 116 , 6898 - 6907 ), were used. Multiplexed replica-exchange molecular dynamics was used to generate the decoys. The iterative procedure exhibited steady convergence. Three variants of optimization were tried: optimization of the energy-term weights alone and use of the experimental ensemble of the folded protein only at T = 280 K (run 1); optimization of the energy-term weights and use of experimental ensembles at all three temperatures (run 2

Modeling of ultrasonic and terahertz radiations in defective tiles for condition monitoring of thermal protection systems

NASA Astrophysics Data System (ADS)

Kabiri Rahani, Ehsan

obtained by FFT (Fast Fourier Transform) algorithm. In this research DPSM has been extended to model DPSM transient problems without using FFT. This modified technique has been denoted as t-DPSM. Using DPSM, scattering of focused ultrasonic fields by single and multiple cavities in fluid & solid media is studied. It is investigated when two cavities in close proximity can be distinguished and when it is not possible. A comparison between the radiation forces generated by the ultrasonic energies reflected from two small cavities versus a single big cavity is also carried out.

Image-based overlay measurement using subsurface ultrasonic resonance force microscopy

NASA Astrophysics Data System (ADS)

Tamer, M. S.; van der Lans, M. J.; Sadeghian, H.

2018-03-01

Image Based Overlay (IBO) measurement is one of the most common techniques used in Integrated Circuit (IC) manufacturing to extract the overlay error values. The overlay error is measured using dedicated overlay targets which are optimized to increase the accuracy and the resolution, but these features are much larger than the IC feature size. IBO measurements are realized on the dedicated targets instead of product features, because the current overlay metrology solutions, mainly based on optics, cannot provide sufficient resolution on product features. However, considering the fact that the overlay error tolerance is approaching 2 nm, the overlay error measurement on product features becomes a need for the industry. For sub-nanometer resolution metrology, Scanning Probe Microscopy (SPM) is widely used, though at the cost of very low throughput. The semiconductor industry is interested in non-destructive imaging of buried structures under one or more layers for the application of overlay and wafer alignment, specifically through optically opaque media. Recently an SPM technique has been developed for imaging subsurface features which can be potentially considered as a solution for overlay metrology. In this paper we present the use of Subsurface Ultrasonic Resonance Force Microscopy (SSURFM) used for IBO measurement. We used SSURFM for imaging the most commonly used overlay targets on a silicon substrate and photoresist. As a proof of concept we have imaged surface and subsurface structures simultaneously. The surface and subsurface features of the overlay targets are fabricated with programmed overlay errors of +/-40 nm, +/-20 nm, and 0 nm. The top layer thickness changes between 30 nm and 80 nm. Using SSURFM the surface and subsurface features were successfully imaged and the overlay errors were extracted, via a rudimentary image processing algorithm. The measurement results are in agreement with the nominal values of the programmed overlay errors.

NEET In-Pile Ultrasonic Sensor Enablement-Final Report

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

J. Daw; J. Rempe; J. Palmer

2014-09-01

Ultrasonic technologies offer the potential to measure a range of parameters during irradiation of fuels and materials, including geometry changes, temperature, crack initiation and growth, gas pressure and composition, and microstructural changes under harsh irradiation test conditions. There are two primary issues that currently limit in-pile deployment of ultrasonic sensors. The first is transducer survivability. The ability of ultrasonic transducer materials to maintain their useful properties during an irradiation must be demonstrated. The second issue is signal processing. Ultrasonic testing is typically performed in a lab or field environment, where the sensor and sample are accessible. The harsh nature ofmore » in-pile testing and the variety of desired measurements demand that an enhanced signal processing capability be developed to make in-pile ultrasonic sensors viable. To address these issues, the NEET ASI program funded a three year Ultrasonic Transducer Irradiation and Signal Processing Enhancements project, which is a collaborative effort between the Idaho National Laboratory, the Pacific Northwest National Laboratory, the Argonne National Laboratory, and the Pennsylvania State University. The objective of this report is to document the objectives and accomplishments from this three year project. As summarized within this document, significant work has been accomplished during this three year project.« less

Frequency and amplitude dependences of molding accuracy in ultrasonic nanoimprint technology

NASA Astrophysics Data System (ADS)

Mekaru, Harutaka; Takahashi, Masaharu

2009-12-01

We use neither a heater nor ultraviolet lights, and are researching and developing an ultrasonic nanoimprint as a new nano-patterning technology. In our ultrasonic nanoimprint technology, ultrasonic vibration is not used as a heat generator instead of the heater. A mold is connected with an ultrasonic generator, and mold patterns are pushed down and pulled up at a high speed into a thermoplastic. Frictional heat is generated by ultrasonic vibration between mold patterns and thermoplastic patterns formed by an initial contact force. However, because frictional heat occurs locally, the whole mold is not heated. Therefore, a molding material can be comprehensively processed at room temperature. A magnetostriction actuator was built into our ultrasonic nanoimprint system as an ultrasonic generator, and the frequency and amplitude can be changed between dc-10 kHz and 0-4 µm, respectively. First, the ultrasonic nanoimprint was experimented by using this system on polyethylene terephthalate (PET, Tg = 69 °C), whose the glass transition temperature (Tg) is comparatively low in engineering plastics, and it was ascertained that the most suitable elastic material for this technique was an ethyl urethane rubber. In addition, we used a changeable frequency of the magnetostriction actuator, and nano-patterns in an electroformed-Ni mold were transferred to a 0.5 mm thick sheet of PET, polymethylmethacrylate (PMMA) and polycarbonate (PC), which are typical engineering plastics, under variable molding conditions. The frequency and amplitude dependence of ultrasonic vibration to the molding accuracy were investigated by measuring depth and width of imprinted patterns. As a result, regardless of the molding material, the imprinted depth was changed drastically when the frequency exceeded 5 kHz. On the other hand, when the amplitude of ultrasonic vibration grew, the imprinted depth gradually deepened. Influence of the frequency and amplitude of ultrasonic vibration was not observed

Machine learning of accurate energy-conserving molecular force fields.

PubMed

Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E; Poltavsky, Igor; Schütt, Kristof T; Müller, Klaus-Robert

2017-05-01

Using conservation of energy-a fundamental property of closed classical and quantum mechanical systems-we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol -1 for energies and 1 kcal mol -1 Å̊ -1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.

Machine learning of accurate energy-conserving molecular force fields

PubMed Central

Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schütt, Kristof T.; Müller, Klaus-Robert

2017-01-01

Using conservation of energy—a fundamental property of closed classical and quantum mechanical systems—we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol−1 for energies and 1 kcal mol−1 Å̊−1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods. PMID:28508076

Dynamics of Cavitation Clouds within a High-Intensity Focused Ultrasonic Beam

DTIC Science & Technology

2012-03-01

the cloud size. I. INTRODUCTION High-intensity focused ultrasound ( HIFU ), along with the associated cavitation, is used in a variety of fields. The...this experimental study, we generate a 500 kHz high-intensity focused ultrasonic ( HIFU ) beam, with pressure amplitude in the focal zone of up to 1.9 MPa... focused ultrasonic ( HIFU ) beam, with pressure amplitude in the focal zone of up to 1.9 MPa, in initially quiescent water. The resulting pressure field

Design of an ultrasonic micro-array for near field sensing during retinal microsurgery.

PubMed

Clarke, Clyde; Etienne-Cummings, Ralph

2006-01-01

A method for obtaining the optimal and specific sensor parameters for a tool-tip mountable ultrasonic transducer micro-array is presented. The ultrasonic transducer array sensor parameters, such as frequency of operation, element size, inter-element spacing, number of elements and transducer geometry are obtained using a quadratic programming method to obtain a maximum directivity while being constrained to a total array size of 4 mm2 and the required resolution for retinal imaging. The technique is used to design a uniformly spaced NxN transducer array that is capable of resolving structures in the retina that are as small as 2 microm from a distance of 100 microm. The resultant 37x37 array of 16 microm transducers with 26 microm spacing will be realized as a Capacitive Micromachined Ultrasonic Transducer (CMUT) array and used for imaging and robotic guidance during retinal microsurgery.

Potassium bromide, KBr/ ε: New Force Field

NASA Astrophysics Data System (ADS)

Fuentes-Azcatl, Raúl; Barbosa, Marcia C.

2018-02-01

We propose a new force field for the Potassium Bromide, the KBr/ ε. The crystal density and structure, as well as, the density, the viscosity and the dielectric constant of the solution in water were computed and compared with the experiments and other atomistic models. Next, the transferability of the KBr/ ε and of the NaCl/ ε models is verified by creating the KCl/ ε and the NaBr/ ε models. The strategy was to employ the same parameters obtained for the NaCl/ ε and for the KBr/ ε force fields for the building up of the KCl/ ε and the NaBr/ ε models . The thermodynamic and dynamic properties of these two new models were compared with the experimental

Operational Art in I Field Force, 1965 to 1967

DTIC Science & Technology

2012-10-17

Approved for Public Release; Distribution is Unlimited Operational Art in I Field Force, 1965 to 1967 A Monograph by MAJ John E. Turner...Monograph 3. DATES COVERED (From - To) JAN 2012 – DEC 2012 4. TITLE AND SUBTITLE Operational Art in I Field Force, 1965-1967 5a. CONTRACT NUMBER...operational art from 1965 through 1967 under the leadership of LTG Stanley Larsen in the II Corps Tactical Zone (II CORPS). This accomplishment is

Dynamic analysis of ultrasonically levitated droplet with moving particle semi-implicit and distributed point source method

NASA Astrophysics Data System (ADS)

Wada, Yuji; Yuge, Kohei; Nakamura, Ryohei; Tanaka, Hiroki; Nakamura, Kentaro

2015-07-01

Numerical analysis of an ultrasonically levitated droplet with a free surface boundary is discussed. The droplet is known to change its shape from sphere to spheroid when it is suspended in a standing wave owing to the acoustic radiation force. However, few studies on numerical simulation have been reported in association with this phenomenon including fluid dynamics inside the droplet. In this paper, coupled analysis using the distributed point source method (DPSM) and the moving particle semi-implicit (MPS) method, both of which do not require grids or meshes to handle the moving boundary with ease, is suggested. A droplet levitated in a plane standing wave field between a piston-vibrating ultrasonic transducer and a reflector is simulated with the DPSM-MPS coupled method. The dynamic change in the spheroidal shape of the droplet is successfully reproduced numerically, and the gravitational center and the change in the spheroidal aspect ratio are discussed and compared with the previous literature.

The harmonic force field of benzene. A local density functional study

NASA Astrophysics Data System (ADS)

Bérces, Attila; Ziegler, Tom

1993-03-01

The harmonic force field of benzene has been calculated by a method based on local density functional theory (LDF). The calculations were carried out employing a triple zeta basis set with triple polarization on hydrogen and double polarization on carbon. The LDF force field was compared to the empirical field due to Ozkabak, Goodman, and Thakur [A. G. Ozkabak, L. Goodman, and S. N. Thakur, J. Phys. Chem. 95, 9044 (1991)], which has served as a benchmark for theoretical calculations as well as the theoretical field based on scaled Hartree-Fock ab initio calculation due to Pulay, Fogarasi, and Boggs [P. Pulay, G. Fogarasi, and J. E. Boggs, J. Chem. Phys. 74, 3999 (1981)]. The calculated LDF force field is in excellent qualitative and very good quantitative agreement with the theoretical field proposed by Pulay, Fogarasi, and Boggs as well as the empirical field due to Ozkabak, Goodman, and Thakur. The LDF field is closest to the values of Pulay and co-workers in those cases where the force constants due to Pulay, Fogarasi, and Boggs and to Ozkabak, Goodman, and Thakur differ in sign or magnitude. The accuracy of the LDF force field was investigated by evaluating a number of eigenvalue and eigenfunction dependent quantities from the the LDF force constants. The quantities under investigation include vibrational frequencies of seven isotopomers, isotopic shifts, as well as absorption intensities. The calculations were performed at both theoretical optimized and approximate equilibrium reference geometries. The predicted frequencies are usually within 1%-2% compared to the empirical harmonic frequencies. The least accurate frequency deviates by 5% from the experimental value. The average deviations from the empirical harmonic frequencies of C6H6 and C6D6 are 16.7 cm-1 (1.5%) and 15.2 cm-1 (1.7%), respectively, not including CH stretching frequencies, in the case where a theoretical reference geometry was used. The accuracy of the out-of-plane force field is especially

Process Stability of Ultrasonic-Wave-Assisted Gas Metal Arc Welding

NASA Astrophysics Data System (ADS)

Fan, Chenglei; Xie, Weifeng; Yang, Chunli; Lin, Sanbao; Fan, Yangyang

2017-10-01

As a newly developed arc welding method, ultrasonic-wave-assisted arc welding successfully introduced power ultrasound into the arc and weld pool, during which the ultrasonic acts on the top of the arc in the coaxial alignment direction. The advanced process for molten metals can be realized by using an additional ultrasonic field. Compared with the conventional gas metal arc welding (GMAW), the welding arc is compressed, the droplet size is decreased, and the droplet transfer frequency is increased significantly in ultrasonic-wave-assisted GMAW (U-GMAW). However, the stability of the metal transfer has deep influence on the welding quality equally, and the ultrasonic wave effect on the stability of the metal transfer is a phenomenon that is not completely understood. In this article, the stabilities of the short-circuiting transfer process and globular transfer process are studied systematically, and the effect of ultrasonic wave on the metal transfer is analyzed further. The transfer frequency and process stability of the U-GMAW process are much higher than those of the conventional GMAW. Analytical results show that the additional ultrasonic wave is helpful for improving welding stability.

Spinmotive force due to domain wall motion in high field regime

NASA Astrophysics Data System (ADS)

Ieda, Jun'ichi; Yamane, Yuta; Maekawa, Sadamichi

2012-02-01

Spinmotive force associated with a moving vortex domain wall is investigated numerically. Dynamics of magnetization textures such as a domain wall exerts a non-conservative spin-force on conduction electrons [1], offering a new concept of magnetic devices [2]. This spinmotive force in permalloy nanowires has been detected by voltage measurement [3] where magnitude of the signal is limited less than 500 nV. Theoretically it is suggested that the spinmotive force signal increases as a function of external magnetic fields. At higher magnetic fields, however, the wall propagation mode becomes rather chaotic involving transformations of the wall structure and it remains to be seen how the spinmotive force appears. Numerical simulations show that the spinmotive force scales with the field even in a field range where the wall motion is no longer associated coherent precession. This feature has been tested in a recent experiment [4]. Further enhancement of the spinmotive force is explored by designing ferromagnetic nanostructures [5] and materials. [1] S. Barnes and S. Maekawa, PRL (2007). [2] S. Barnes, J. Ieda, and S. Maekawa, APL (2006). [3] S. A. Yang et al., PRL (2009). [4] M. Hayashi, J. Ieda et al., submitted. [5] Y. Yamane, J. Ieda et al., APEX (2011).

Optical detection of ultrasound using an apertureless near-field scanning optical microscopy system

NASA Astrophysics Data System (ADS)

Ahn, Phillip; Zhang, Zhen; Sun, Cheng; Balogun, Oluwaseyi

2013-01-01

Laser ultrasonics techniques are power approaches for non-contact generation and detection of high frequency ultrasound on a local scale. In these techniques, optical diffraction limits the spatial information that can be accessed from a measurement. In order to improve the lateral spatial resolution, we incorporate an apertureless near-field scanning optical microscope (aNSOM) into laser ultrasonics setup for local detection of laser generated ultrasound. The aNSOM technique relies on the measurement of a weak backscattered near-field light intensity resulting from the oblique illumination of a nanoscale probe-tip positioned close to a sample surface. We enhance the optical near-field intensity by coupling light to surface plasmon polaritons (SPPs) on the shaft of an atomic force microscopy (AFM) cantilever. The SPPs propagate down the AFM shaft, localize at the tip apex, and are backscattered to the far-field when the separation distance between the probe tip and the sample surface is comparable to the probe-tip radius. The backscattered near-field intensity is dynamically modulated when an ultrasonic wave arrives at the sample surface leading to a transient change in the tip-sample separation distance. We present experimental results detailing measurement of broadband and narrowband laser generated ultrasound in solids with frequencies reaching up to 180 MHz range.

Force field development with GOMC, a fast new Monte Carlo molecular simulation code

NASA Astrophysics Data System (ADS)

Mick, Jason Richard

In this work GOMC (GPU Optimized Monte Carlo) a new fast, flexible, and free molecular Monte Carlo code for the simulation atomistic chemical systems is presented. The results of a large Lennard-Jonesium simulation in the Gibbs ensemble is presented. Force fields developed using the code are also presented. To fit the models a quantitative fitting process is outlined using a scoring function and heat maps. The presented n-6 force fields include force fields for noble gases and branched alkanes. These force fields are shown to be the most accurate LJ or n-6 force fields to date for these compounds, capable of reproducing pure fluid behavior and binary mixture behavior to a high degree of accuracy.

Defects and Materials Characterization by Analysis of Ultrasonic Signals. Study of a Technique to Measure Ultrasonic Attenuation

DTIC Science & Technology

1985-05-01

los M todos de Ensayos No Destructivos de Control de la Calidad de los Materiales ". Editado por Instituto Nacional de T6cnica AeroespaciaL...STUDY OF A TECH!4IUE TO MEASURE ULTRASONIC ATTENUATION. Carlos Valdecantos; Jos6 Miguel instituto Nacional de Tecnica Aeroespacial (INTA) Torrej6n de ...FORCE OFFICE OF SCIETIFIC RESEARCH Bolling AFB, D.C. 20332 ,: and EUJROPEAN OFFICE OF AEROSPACE .RESEARCH AND ,EZr--’. EN , London, England. 2

Combining configurational energies and forces for molecular force field optimization

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

Vlcek, Lukas; Sun, Weiwei; Kent, Paul R. C.

While quantum chemical simulations have been increasingly used as an invaluable source of information for atomistic model development, the high computational expenses typically associated with these techniques often limit thorough sampling of the systems of interest. It is therefore of great practical importance to use all available information as efficiently as possible, and in a way that allows for consistent addition of constraints that may be provided by macroscopic experiments. We propose a simple approach that combines information from configurational energies and forces generated in a molecular dynamics simulation to increase the effective number of samples. Subsequently, this information ismore » used to optimize a molecular force field by minimizing the statistical distance similarity metric. We also illustrate the methodology on an example of a trajectory of configurations generated in equilibrium molecular dynamics simulations of argon and water and compare the results with those based on the force matching method.« less

Combining configurational energies and forces for molecular force field optimization

DOE PAGES

Vlcek, Lukas; Sun, Weiwei; Kent, Paul R. C.

2017-07-21

While quantum chemical simulations have been increasingly used as an invaluable source of information for atomistic model development, the high computational expenses typically associated with these techniques often limit thorough sampling of the systems of interest. It is therefore of great practical importance to use all available information as efficiently as possible, and in a way that allows for consistent addition of constraints that may be provided by macroscopic experiments. We propose a simple approach that combines information from configurational energies and forces generated in a molecular dynamics simulation to increase the effective number of samples. Subsequently, this information ismore » used to optimize a molecular force field by minimizing the statistical distance similarity metric. We also illustrate the methodology on an example of a trajectory of configurations generated in equilibrium molecular dynamics simulations of argon and water and compare the results with those based on the force matching method.« less

An Analysis of Peak Wind Speed Data from Collocated Mechanical and Ultrasonic Anemometers

NASA Technical Reports Server (NTRS)

Short, David A.; Wells, Leonard A.; Merceret, Francis J.; Roeder, William P.

2005-01-01

This study focuses on a comparison of peak wind speeds reported by mechanical and ultrasonic anemometers at Cape Canaveral Air Force Station and Kennedy Space Center (CCAFS/KSC) on the east central coast of Florida and Vandenberg Air Force Base (VAFB) on the central coast of California. The legacy mechanical wind instruments on CCAFS/KSC and VAFB weather towers are being changed from propeller-and-vane (CCAFS/KSC) and cup-and-vane (VAFB) sensors to ultrasonic sensors under the Range Standardization and Automation (RSA) program. The wind tower networks on KSC/CCAFS and VAFB have 41 and 27 towers, respectively. Launch Weather Officers, forecasters, and Range Safety analysts at both locations need to understand the performance of the new wind sensors for a myriad of reasons that include weather warnings, watches, advisories, special ground processing operations, launch pad exposure forecasts, user Launch Commit Criteria (LCC) forecasts and evaluations, and toxic dispersion support. The Legacy sensors measure wind speed and direction mechanically. The ultrasonic RSA sensors have no moving parts. Ultrasonic sensors were originally developed to measure very light winds (Lewis and Dover 2004). The technology has evolved and now ultrasonic sensors provide reliable wind data over a broad range of wind speeds. However, because ultrasonic sensors respond more quickly than mechanical sensors to rapid fluctuations in speed, characteristic of gusty wind conditions, comparisons of data from the two sensor types have shown differences in the statistics of peak wind speeds (Lewis and Dover 2004). The 45th Weather Squadron (45 WS) and the 30 WS requested the Applied Meteorology Unit (AMU) to compare data from RSA and Legacy sensors to determine if there are significant differences in peak wind speed information from the two systems.

Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides.

PubMed

Best, Robert B; Hummer, Gerhard

2009-07-02

Obtaining the correct balance of secondary structure propensities is a central priority in protein force-field development. Given that current force fields differ significantly in their alpha-helical propensities, a correction to match experimental results would be highly desirable. We have determined simple backbone energy corrections for two force fields to reproduce the fraction of helix measured in short peptides at 300 K. As validation, we show that the optimized force fields produce results in excellent agreement with nuclear magnetic resonance experiments for folded proteins and short peptides not used in the optimization. However, despite the agreement at ambient conditions, the dependence of the helix content on temperature is too weak, a problem shared with other force fields. A fit of the Lifson-Roig helix-coil theory shows that both the enthalpy and entropy of helix formation are too small: the helix extension parameter w agrees well with experiment, but its entropic and enthalpic components are both only about half the respective experimental estimates. Our structural and thermodynamic analyses point toward the physical origins of these shortcomings in current force fields, and suggest ways to address them in future force-field development.

Ultrasonic dental scaler: associated hazards.

PubMed

Trenter, S C; Walmsley, A D

2003-02-01

The ultrasonic dental scaler is a valuable tool in the prevention of periodontal disease; however, this equipment has a number of hazards with which it is associated. These include heating of the tooth during scaling, vibrational hazards causing cell disruption, possible platelet damage by cavitation, associated electromagnetic fields that can interrupt pacemakers, auditory damage to patient and clinician and the release of aerosols containing dangerous bacteria. To collate the research reported on the various hazards associated with the ultrasonic dental scaler and discuss possible future research areas. The scientific literature was searched using Web of Science, EMBASE and Medline, and the results of these were then hand-searched to eliminate nonrelevant papers. This review outlines some of the research conducted into these areas of associated hazard in order to assess their significance in the clinical situation, and discusses ideas for future research. Suggestions of recommendations are given, which have been previously investigated for their aid in reducing possible hazards, to ensure the safe working of ultrasonic scalers in the dental practice.

Bubble colloidal AFM probes formed from ultrasonically generated bubbles.

PubMed

Vakarelski, Ivan U; Lee, Judy; Dagastine, Raymond R; Chan, Derek Y C; Stevens, Geoffrey W; Grieser, Franz

2008-02-05

Here we introduce a simple and effective experimental approach to measuring the interaction forces between two small bubbles (approximately 80-140 microm) in aqueous solution during controlled collisions on the scale of micrometers to nanometers. The colloidal probe technique using atomic force microscopy (AFM) was extended to measure interaction forces between a cantilever-attached bubble and surface-attached bubbles of various sizes. By using an ultrasonic source, we generated numerous small bubbles on a mildly hydrophobic surface of a glass slide. A single bubble picked up with a strongly hydrophobized V-shaped cantilever was used as the colloidal probe. Sample force measurements were used to evaluate the pure water bubble cleanliness and the general consistency of the measurements.

Method and system of measuring ultrasonic signals in the plane of a moving web

DOEpatents

Hall, M.S.; Jackson, T.G.; Wink, W.A.; Knerr, C.

1996-02-27

An improved system for measuring the velocity of ultrasonic signals within the plane of moving web-like materials, such as paper, paperboard and the like is disclosed. In addition to velocity measurements of ultrasonic signals in the plane of the web in the machine direction, MD, and a cross direction, CD, generally perpendicular to the direction of the traveling web, therefore, one embodiment of the system in accordance with the present invention is also adapted to provide on-line indication of the polar specific stiffness of the moving web. In another embodiment of the invention, the velocity of ultrasonic signals in the plane of the web are measured by way of a plurality of ultrasonic transducers carried by synchronously driven wheels or cylinders, thus eliminating undue transducer wear due to any speed differences between the transducers and the web. In order to provide relatively constant contact force between the transducers and the webs, the transducers are mounted in a sensor housings which include a spring for biasing the transducer radially outwardly. The sensor housings are adapted to be easily and conveniently mounted to the carrier to provide a relatively constant contact force between the transducers and the moving web. 37 figs.

Modeling of Ultrasonic and Terahertz Radiations in Defective Tiles for Condition Monitoring of Thermal Protection Systems

DTIC Science & Technology

2013-04-01

different ultrasonic and electromagnetic field modeling problems for NDE (nondestructive evaluation) applications [5- 14]. 2d . Use of the...transient ultrasonic wave propagation using the Distributed Point Source Method”, IEEE Transactions on Ultrasonics, Ferroelectric and Frequency Control...Cavity”, IEEE Transactions on Ultrasonics, Ferroelectric and Frequency Control, Vol. 57(6), pp. 1396-1404, 2010. [10] A. Shelke, S. Das and T. Kundu

Force Field Development and Molecular Dynamics of [NiFe] Hydrogenase

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

Smith, Dayle MA; Xiong, Yijia; Straatsma, TP

2012-05-09

Classical molecular force-field parameters describing the structure and motion of metal clusters in [NiFe] hydrogenase enzymes can be used to compare the dynamics and thermodynamics of [NiFe] under different oxidation, protonation, and ligation circumstances. Using density functional theory (DFT) calculations of small model clusters representative of the active site and the proximal, medial, and distal Fe/S metal centers and their attached protein side chains, we have calculated classical force-field parameters for [NiFe] in reduced and oxidized states, including internal coordinates, force constants, and atom-centered charges. Derived force constants revealed that cysteinate ligands bound to the metal ions are more flexiblemore » in the Ni-B active site, which has a bridging hydroxide ligand, than in the Ni-C active site, which has a bridging hydride. Ten nanosecond all-atom, explicit-solvent MD simulations of [NiFe] hydrogenase in oxidized and reduced catalytic states established the stability of the derived force-field parameters in terms of C{alpha} and metal cluster fluctuations. Average active site structures from the protein MD simulations are consistent with [NiFe] structures from the Protein Data Bank, suggesting that the derived force-field parameters are transferrable to other hydrogenases beyond the structure used for testing. A comparison of experimental H{sub 2}-production rates demonstrated a relationship between cysteinate side chain rotation and activity, justifying the use of a fully dynamic model of [NiFe] metal cluster motion.« less

Machine Learning of Accurate Energy-Conserving Molecular Force Fields

NASA Astrophysics Data System (ADS)

Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel; Poltavsky, Igor; Schütt, Kristof; Müller, Klaus-Robert; GDML Collaboration

Efficient and accurate access to the Born-Oppenheimer potential energy surface (PES) is essential for long time scale molecular dynamics (MD) simulations. Using conservation of energy - a fundamental property of closed classical and quantum mechanical systems - we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio MD trajectories (AIMD). The GDML implementation is able to reproduce global potential-energy surfaces of intermediate-size molecules with an accuracy of 0.3 kcal/mol for energies and 1 kcal/mol/Å for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, malonaldehyde, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative MD simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.

Rapid parameterization of small molecules using the Force Field Toolkit.

PubMed

Mayne, Christopher G; Saam, Jan; Schulten, Klaus; Tajkhorshid, Emad; Gumbart, James C

2013-12-15

The inability to rapidly generate accurate and robust parameters for novel chemical matter continues to severely limit the application of molecular dynamics simulations to many biological systems of interest, especially in fields such as drug discovery. Although the release of generalized versions of common classical force fields, for example, General Amber Force Field and CHARMM General Force Field, have posited guidelines for parameterization of small molecules, many technical challenges remain that have hampered their wide-scale extension. The Force Field Toolkit (ffTK), described herein, minimizes common barriers to ligand parameterization through algorithm and method development, automation of tedious and error-prone tasks, and graphical user interface design. Distributed as a VMD plugin, ffTK facilitates the traversal of a clear and organized workflow resulting in a complete set of CHARMM-compatible parameters. A variety of tools are provided to generate quantum mechanical target data, setup multidimensional optimization routines, and analyze parameter performance. Parameters developed for a small test set of molecules using ffTK were comparable to existing CGenFF parameters in their ability to reproduce experimentally measured values for pure-solvent properties (<15% error from experiment) and free energy of solvation (±0.5 kcal/mol from experiment). Copyright © 2013 Wiley Periodicals, Inc.

3-D printed composites with ultrasonically arranged complex microstructure

NASA Astrophysics Data System (ADS)

Llewellyn-Jones, Thomas M.; Drinkwater, Bruce W.; Trask, Richard S.

2016-04-01

This paper demonstrates the efficacy of implementing ultrasonic manipulation within a modified form of stereolithographic 3D printing to form complex microstructures in printed components. Currently 3D printed components are limited both in terms of structural performance and specialised functionality. This study aims to demonstrate a novel method for 3D printing composite materials, by arranging microparticles suspended within a photocurable resin. The resin is selectively cured by a 3-axis gantry-mounted 405nm laser. Ultrasonic forces are used to arrange the microfibres into predetermined patterns within the resin, with unidirectional microfibre alignment and a hexagonal lattice structure demonstrated. An example of dynamic microstructure variation within a single print layer is also presented.

Modeling stick-slip-separation dynamics in a bimodal standing wave ultrasonic motor

NASA Astrophysics Data System (ADS)

Li, Xiang; Yao, Zhiyuan; Lv, Qibao; Liu, Zhen

2016-11-01

Ultrasonic motor (USM) is an electromechanical coupling system with ultrasonic vibration, which is driven by the frictional contact force between the stator (vibrating body) and the rotor/slider (driven body). Stick-slip motion can occur at the contact interface when USM is operating, which may affect the performance of the motor. This paper develops a physically-based model to investigate the complex stick-slip-separation dynamics in a bimodal standing wave ultrasonic motor. The model includes both friction nonlinearity and intermittent separation nonlinearity of the system. Utilizing Hamilton's principle and assumed mode method, the dynamic equations of the stator are deduced. Based on the dynamics of the stator and the slider, sticking force during the stick phase is derived, which is used to examine the stick-to-slip transition. Furthermore, the stick-slip-separation kinematics is analyzed by establishing analytical criteria that predict the transition between stick, slip and separation of the interface. Stick-slip-separation motion is observed in the resulting model, and numerical simulations are performed to study the influence of parameters on the range of possible motions. Results show that stick-slip motion can occur with greater preload and smaller voltage amplitude. Furthermore, a dimensionless parameter is proposed to predict the occurrence of stick-slip versus slip-separation motions, and its role in designing ultrasonic motors is discussed. It is shown that slip-separation motion is favorable for the slider velocity.

Ultrasonic Motors

DTIC Science & Technology

2003-06-01

micromotor have been investigated. The piezoelectric motor makes use of two orthogonal bending modes of a hollow cylinder. The vibrating element...A.Iino, K.Suzuki, M.Kasuga, M.Suzuki and T.Yamanaka, "Development of a Self- Oscillating Ultrasonic Micromotor and Its Application to a Watch...pp. 823-828, 1997. [12] M. K. Kurosawa, T. Morita, and T. Higuchi, "A Cylindrical Ultrasonic Micromotor Based on PZT Thin Film," IEEE Ultrasonics

Effect of ultrasonication in synthesis of gold nano fluid for thermal applications

NASA Astrophysics Data System (ADS)

Nath, G.; Giri, R.

2018-02-01

Ultrasonically synthesized nanofluids are efficient coolant and heat exchanger material has demonstrated its potential in various fields and thermal engineering. The computation of different acoustical parameter using the ultrasonic velocity data of gold nanofluids are taken in estimation of thermal conductivity. The computational and experimental measured values of thermal conductivity are well agrees. The results execute ultrasonically synthesized gold nanofluids is an economic and efficient technology for explaining the increase of thermal conductivity of nanofluids in suitable optimum conditions.

An Ultrasonic Sampler and Sensor Platform for In-Situ Astrobiological Exploration

NASA Technical Reports Server (NTRS)

Bar-Cohen, Yoaz E.; Bao, X.; Chang, Z.; Sherrit, S.

2003-01-01

The search for existing or past life in the Universe is one of the most important objectives of NASA's mission. In support of this objective, ultrasonic based mechanisms are currently being developed at JPL to allow probing and sampling rocks as well as perform as a sensor platform for in-situ astrobiological analysis. The technology is based on the novel Ultrasonic/Sonic Driller/Corer (USDC), which requires low axial force, thereby overcoming one of the major limitations of planetary sampling in low gravity using conventional drills. The USDC was demonstrated to: 1) drill ice and various rocks including granite, diorite, basalt and limestone, 2) not require bit sharpening, and 3) operate at high and low temperatures. The capabilities that are being investigated including probing the ground to select sampling sites, collecting various forms of samples, and hosting sensors for measuring chemical/physical properties. A series of modifications of the USDC basic configuration were implemented leading an ultrasonic abrasion tool (URAT), Ultrasonic Gopher for deep Drilling, and the lab-on-a-drill.

Research on ultrasonic excitation for the removal of drilling fluid plug, paraffin deposition plug, polymer plug and inorganic scale plug for near-well ultrasonic processing technology.

PubMed

Wang, Zhenjun; Zeng, Jing; Song, Hao; Li, Feng

2017-05-01

Near-well ultrasonic processing technology attracts more attention due to its simple operation, high adaptability, low cost and no pollution to the formation. Although this technology has been investigated in detail through laboratory experiments and field tests, systematic and intensive researches are absent for certain major aspects, such as whether ultrasonic excitation is better than chemical agent for any plugs removal; whether ultrasound-chemical combination plug removal technology has the best plugs removal effect. In this paper, the comparison of removing drilling fluid plug, paraffin deposition plug, polymer plug and inorganic scale plug using ultrasonic excitation, chemical agent and ultrasound-chemical combination plug removal technology is investigated. Results show that the initial core permeability and ultrasonic frequency play a significant role in plug removal. Ultrasonic excitation and chemical agent have different impact on different plugs. The comparison results show that the effect of removing any plugs using ultrasound-chemicals composite plug removal technology is obviously better than that using ultrasonic excitation or chemical agent alone. Such conclusion proves that ultrasonic excitation and chemical agent can cause synergetic effects. Copyright © 2016 Elsevier B.V. All rights reserved.

The parallel-sequential field subtraction techniques for nonlinear ultrasonic imaging

NASA Astrophysics Data System (ADS)

Cheng, Jingwei; Potter, Jack N.; Drinkwater, Bruce W.

2018-04-01

Nonlinear imaging techniques have recently emerged which have the potential to detect cracks at a much earlier stage and have sensitivity to particularly closed defects. This study utilizes two modes of focusing: parallel, in which the elements are fired together with a delay law, and sequential, in which elements are fired independently. In the parallel focusing, a high intensity ultrasonic beam is formed in the specimen at the focal point. However, in sequential focusing only low intensity signals from individual elements enter the sample and the full matrix of transmit-receive signals is recorded; with elastic assumptions, both parallel and sequential images are expected to be identical. Here we measure the difference between these images formed from the coherent component of the field and use this to characterize nonlinearity of closed fatigue cracks. In particular we monitor the reduction in amplitude at the fundamental frequency at each focal point and use this metric to form images of the spatial distribution of nonlinearity. The results suggest the subtracted image can suppress linear features (e.g., back wall or large scatters) and allow damage to be detected at an early stage.

Advanced DPSM approach for modeling ultrasonic wave scattering in an arbitrary geometry

NASA Astrophysics Data System (ADS)

Yadav, Susheel K.; Banerjee, Sourav; Kundu, Tribikram

2011-04-01

Several techniques are used to diagnose structural damages. In the ultrasonic technique structures are tested by analyzing ultrasonic signals scattered by damages. The interpretation of these signals requires a good understanding of the interaction between ultrasonic waves and structures. Therefore, researchers need analytical or numerical techniques to have a clear understanding of the interaction between ultrasonic waves and structural damage. However, modeling of wave scattering phenomenon by conventional numerical techniques such as finite element method requires very fine mesh at high frequencies necessitating heavy computational power. Distributed point source method (DPSM) is a newly developed robust mesh free technique to simulate ultrasonic, electrostatic and electromagnetic fields. In most of the previous studies the DPSM technique has been applied to model two dimensional surface geometries and simple three dimensional scatterer geometries. It was difficult to perform the analysis for complex three dimensional geometries. This technique has been extended to model wave scattering in an arbitrary geometry. In this paper a channel section idealized as a thin solid plate with several rivet holes is formulated. The simulation has been carried out with and without cracks near the rivet holes. Further, a comparison study has been also carried out to characterize the crack. A computer code has been developed in C for modeling the ultrasonic field in a solid plate with and without cracks near the rivet holes.

Improved Peptide and Protein Torsional Energetics with the OPLSAA Force Field.

PubMed

Robertson, Michael J; Tirado-Rives, Julian; Jorgensen, William L

2015-07-14

The development and validation of new peptide dihedral parameters are reported for the OPLS-AA force field. High accuracy quantum chemical methods were used to scan φ, ψ, χ1, and χ2 potential energy surfaces for blocked dipeptides. New Fourier coefficients for the dihedral angle terms of the OPLS-AA force field were fit to these surfaces, utilizing a Boltzmann-weighted error function and systematically examining the effects of weighting temperature. To prevent overfitting to the available data, a minimal number of new residue-specific and peptide-specific torsion terms were developed. Extensive experimental solution-phase and quantum chemical gas-phase benchmarks were used to assess the quality of the new parameters, named OPLS-AA/M, demonstrating significant improvement over previous OPLS-AA force fields. A Boltzmann weighting temperature of 2000 K was determined to be optimal for fitting the new Fourier coefficients for dihedral angle parameters. Conclusions are drawn from the results for best practices for developing new torsion parameters for protein force fields.

Preparation of waterborne dispersions of epoxy resin by ultrasonic-assisted supercritical CO2 nanoemulsification technique.

PubMed

Gao, Hanyang; Hu, Guoxin; Liu, Kun; Wu, Liqun

2017-11-01

Waterborne nanoemulsion of diglycidyl ether of bisphenol A type epoxy resin (DGEBA) with droplet size of around 124nm was prepared by using an ultrasonic-assisted supercritical carbon dioxide (scCO 2 ) technique in an autoclave reactor at a low temperature (32°C). A view cell positioned in-line with the ultrasonic probe allowed observation of the emulsification process. From the image analysis and droplet size measurement, the influence mechanisms of the ultrasonic power, the degree of mixing of scCO 2 with DGEBA, the adding amount of emulsifier, and the system pressure on emulsification process and emulsion droplet size were investigated. In the emulsification process, scCO 2 penetrated into the mixture and absorbed on the DGEBA molecular. The interactions between CO 2 and the functional groups of DGEBA reduced the chain-chain interactions of polymer segments and therefore efficiently reduced the viscosity of DGEBA at a low temperature. Meantime, the cavitation and acoustic streaming of ultrasound provided a shear force for the nanoemulsification and a disturbance force for the homogeneity of the emulsion. Therefore, the combination of scCO 2 and ultrasonication made it possible to prepare a long-term stable nanoemulsion under a low temperature. This ultrasonic-assisted scCO 2 emulsification method provides an efficient and solvent-free process for the preparation of waterborne nanoemulsions of, for example, some heat-sensitive and water-insoluble active substances at low temperature. Copyright © 2017 Elsevier B.V. All rights reserved.

Studies on the preparation of Caro’s acid by ultrasonic enhanced electrochemistry

NASA Astrophysics Data System (ADS)

Li, Linbo; Yu, Zeli; Hong, Tao; Fang, Zhao; Peng, Jishi; Yang, Zhao

2017-06-01

Ultrasonic cavitation effects can generate hydroxyl radicals and high energy, which is widely applied in the field of oxidation currently. Ultrasound-enhanced electrochemical is used to prepare Caro’s acid, which improves the generate rate of Caro’s acid. In this article, the influences of ultrasonic frequency and ultrasonic power on the electrolysis voltage, electrolyte temperature, electrolyte concentration and the concentration of additive in the process of electrochemical preparation of Caro’s acid was studied. And the optimal production conditions were determined. The research results showed that ultrasonic can significantly improve the production of Caro’s acid and the product can increase by about 20 g/L under the best condition.

Optimization of classical nonpolarizable force fields for OH(-) and H3O(+).

PubMed

Bonthuis, Douwe Jan; Mamatkulov, Shavkat I; Netz, Roland R

2016-03-14

We optimize force fields for H3O(+) and OH(-) that reproduce the experimental solvation free energies and the activities of H3O(+) Cl(-) and Na(+) OH(-) solutions up to concentrations of 1.5 mol/l. The force fields are optimized with respect to the partial charge on the hydrogen atoms and the Lennard-Jones parameters of the oxygen atoms. Remarkably, the partial charge on the hydrogen atom of the optimized H3O(+) force field is 0.8 ± 0.1|e|--significantly higher than the value typically used for nonpolarizable water models and H3O(+) force fields. In contrast, the optimal partial charge on the hydrogen atom of OH(-) turns out to be zero. Standard combination rules can be used for H3O(+) Cl(-) solutions, while for Na(+) OH(-) solutions, we need to significantly increase the effective anion-cation Lennard-Jones radius. While highlighting the importance of intramolecular electrostatics, our results show that it is possible to generate thermodynamically consistent force fields without using atomic polarizability.

Study on boring hardened materials dryly by ultrasonic vibration cutter

NASA Astrophysics Data System (ADS)

Zhang, Jiangzhong; Zhang, Heng; Zhang, Yue

2011-05-01

It has been one of the difficulties that high-precision hole on hardened materials is machined. The supersonic vibration boring acoustic system in the lathe in which supersonic wave energy is applied on tool is introduced to create pulse power on the cutting process. The separation vibration cutting is achieved by the pulse force. The comparative tests on boring accuracy and surface quality are carried. The quality of surface machined by this method is compared to that by grinding. This cutting is the green cutting. The boring process system is stability. Under the condition that the cutting speed is less than or equal to 1/3 the tool vibration speed, the cutting force is pulse force and the Cutting energy is of high concentration in time, space and direction. The pulse energy effects on the cutting unit in less than one ten-thousandth second. Traditional cutting of irregular movement elastic compression are eliminated. The cutting force is greatly reduced. The cutting temperature is at room temperature. The tool life is greatly increased. Shape precision and surface quality is greatly improved. The regulations of the ultrasonic vibration boring dry cutting of hardened material are also summarized. The test results show that the ultrasonic vibration cutting tool boring is of very superior cutting mechanism and is a high-precision deep-hole machining of hardened materials, efficient cutting methods.

Magnetoelectric force microscopy based on magnetic force microscopy with modulated electric field.

PubMed

Geng, Yanan; Wu, Weida

2014-05-01

We present the realization of a mesoscopic imaging technique, namely, the Magnetoelectric Force Microscopy (MeFM), for visualization of local magnetoelectric effect. The basic principle of MeFM is the lock-in detection of local magnetoelectric response, i.e., the electric field-induced magnetization, using magnetic force microscopy. We demonstrate MeFM capability by visualizing magnetoelectric domains on single crystals of multiferroic hexagonal manganites. Results of several control experiments exclude artifacts or extrinsic origins of the MeFM signal. The parameters are tuned to optimize the signal to noise ratio.

Mapping the force field of a hydrogen-bonded assembly

NASA Astrophysics Data System (ADS)

Sweetman, A. M.; Jarvis, S. P.; Sang, Hongqian; Lekkas, I.; Rahe, P.; Wang, Yu; Wang, Jianbo; Champness, N. R.; Kantorovich, L.; Moriarty, P.

2014-05-01

Hydrogen bonding underpins the properties of a vast array of systems spanning a wide variety of scientific fields. From the elegance of base pair interactions in DNA to the symmetry of extended supramolecular assemblies, hydrogen bonds play an essential role in directing intermolecular forces. Yet fundamental aspects of the hydrogen bond continue to be vigorously debated. Here we use dynamic force microscopy (DFM) to quantitatively map the tip-sample force field for naphthalene tetracarboxylic diimide molecules hydrogen-bonded in two-dimensional assemblies. A comparison of experimental images and force spectra with their simulated counterparts shows that intermolecular contrast arises from repulsive tip-sample interactions whose interpretation can be aided via an examination of charge density depletion across the molecular system. Interpreting DFM images of hydrogen-bonded systems therefore necessitates detailed consideration of the coupled tip-molecule system: analyses based on intermolecular charge density in the absence of the tip fail to capture the essential physical chemistry underpinning the imaging mechanism.

Ultrasonic Measurement of Aircraft Strut Hydraulic Fluid Level

NASA Technical Reports Server (NTRS)

Allison, Sidney G.

2002-01-01

An ultrasonic method is presented for non-intrusively measuring hydraulic fluid level in aircraft struts in the field quickly and easily without modifying the strut or aircraft. The technique interrogates the strut with ultrasonic waves generated and received by a removable ultrasonic transducer hand-held on the outside of the strut in a fashion that is in the presence or absence of hydraulic fluid inside the strut. This technique was successfully demonstrated on an A-6 aircraft strut on the carriage at the Aircraft Landing Dynamics Research Facility at NASA Langley Research Center. Conventional practice upon detection of strut problem symptoms is to remove aircraft from service for extensive maintenance to determine fluid level. No practical technique like the method presented herein for locating strut hydraulic fluid level is currently known to be used.

Development of an Ultrasonic Resonator for Ballast Water Disinfection

NASA Astrophysics Data System (ADS)

Osman, Hafiiz; Lim, Fannon; Lucas, Margaret; Balasubramaniam, Prakash

Ultrasonic disinfection involves the application of low-frequency acoustic energy in a water body to induce cavitation. The implosion of cavitation bubbles generates high speed microjets >1 km/s, intense shock wave >1 GPa, localized hot spots >1000 K, and free-radicals, resulting in cell rupture and death of micro-organisms and pathogens. Treatment of marine ballast water using power ultrasonics is an energy-intensive process. Compared with other physical treatment methods such as ultraviolet disinfection, ultrasonic disinfection require 2 to 3 orders of magnitude more energy to achieve similar rate of micro-organism mortality. Current technology limits the amount of acoustic energy that can be transferred per unit volume of fluid and presents challenges when it comes to high-flow applications. Significant advancements in ultrasonic processing technology are needed before ultrasound can be recognized as a viable alternative disinfection method. The ultrasonic resonator has been identified as one of the areas of improvement that can potentially contribute to the overall performance of an ultrasonic disinfection system. The present study focuses on the design of multiple-orifice resonators (MOR) for generating a well-distributed cavitation field. Results show that the MOR resonator offers significantly larger vibrational surface area to mass ratio. In addition, acoustic pressure measurements indicate that the MOR resonators are able to distribute the acoustic energy across a larger surface area, while generating 2-4 times higher pressures than existing ultrasonic probes.

NDE application of ultrasonic tomography to a full-scale concrete structure.

PubMed

Choi, Hajin; Popovics, John S

2015-06-01

Newly developed ultrasonic imaging technology for large concrete elements, based on tomographic reconstruction, is presented. The developed 3-D internal images (velocity tomograms) are used to detect internal defects (polystyrene foam and pre-cracked concrete prisms) that represent structural damage within a large steel reinforced concrete element. A hybrid air-coupled/contact transducer system is deployed. Electrostatic air-coupled transducers are used to generate ultrasonic energy and contact accelerometers are attached on the opposing side of the concrete element to detect the ultrasonic pulses. The developed hybrid testing setup enables collection of a large amount of high-quality, through-thickness ultrasonic data without surface preparation to the concrete. The algebraic reconstruction technique is used to reconstruct p-wave velocity tomograms from the obtained time signal data. A comparison with a one-sided ultrasonic imaging method is presented for the same specimen. Through-thickness tomography shows some benefit over one-sided imaging for highly reinforced concrete elements. The results demonstrate that the proposed through-thickness ultrasonic technique shows great potential for evaluation of full-scale concrete structures in the field.

Geometric Limitations Of Ultrasonic Measurements

NASA Astrophysics Data System (ADS)

von Nicolai, C.; Schilling, F.

2006-12-01

Laboratory experiments are a key for interpreting seismic field observations. Due to their potential in many experimental set-ups, the determination of elastic properties of minerals and rocks by ultrasonic measurements is common in Geosciences. The quality and thus use of ultrasonic data, however, strongly depends on the sample geometry and wavelength of the sound wave. Two factors, the diameter-to-wavelength- ratio and the diameter-to-length-ratio, are believed to be the essential parameters to affect ultrasonic signal quality. In this study, we determined under well defined conditions the restricting dimensional parameters to test the validity of published assumptions. By the use of commercial ultrasonic transducers a number of experiments were conducted on aluminium, alumina, and acrylic glass rods of varying diameter (30-10 mm) and constant length. At each diameter compressional wave travel times were measured by pulse- transmission method. From the observed travel times ultrasonic wave velocities were calculated. One additional experiment was performed with a series of square-shaped aluminium blocks in order to investigate the effect of the geometry of the samples cross-sectional area. The experimental results show that the simple diameter-to-wavelength ratios are not valid even under idealized experimental conditions and more complex relation has to be talen into account. As diameter decreases the P-waves direct phase is increasingly interfered and weakened by sidewall reflections. At very small diameters compressional waves are replaced by bar waves and P-wave signals become non resolvable. Considering the suppression of both effects, a critical D/ë-ratio was determined and compared to experimental set-ups from various publications. These tests indicate that some published and cited data derived from small diameter set-ups are out off the range of physical possibility.

Developing a molecular dynamics force field for both folded and disordered protein states.

PubMed

Robustelli, Paul; Piana, Stefano; Shaw, David E

2018-05-07

Molecular dynamics (MD) simulation is a valuable tool for characterizing the structural dynamics of folded proteins and should be similarly applicable to disordered proteins and proteins with both folded and disordered regions. It has been unclear, however, whether any physical model (force field) used in MD simulations accurately describes both folded and disordered proteins. Here, we select a benchmark set of 21 systems, including folded and disordered proteins, simulate these systems with six state-of-the-art force fields, and compare the results to over 9,000 available experimental data points. We find that none of the tested force fields simultaneously provided accurate descriptions of folded proteins, of the dimensions of disordered proteins, and of the secondary structure propensities of disordered proteins. Guided by simulation results on a subset of our benchmark, however, we modified parameters of one force field, achieving excellent agreement with experiment for disordered proteins, while maintaining state-of-the-art accuracy for folded proteins. The resulting force field, a99SB- disp , should thus greatly expand the range of biological systems amenable to MD simulation. A similar approach could be taken to improve other force fields. Copyright © 2018 the Author(s). Published by PNAS.

A small, linear, piezoelectric ultrasonic cryomotor

NASA Astrophysics Data System (ADS)

Dong, Shuxiang; Yan, Li; Wang, Naigang; Viehland, Dwight; Jiang, Xiaoning; Rehrig, Paul; Hackenberger, Wes

2005-01-01

A small, linear-type, piezoelectric ultrasonic cryomotor has been developed for precision positioning at extremely low temperatures (⩾-200°C). This cryomotor consists of a pair of Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystal stacks, which are piezoelectrically excited into the rotating third-bending mode of the cryomotor stator's center, which in turn drives a contacted slider into linear motion via frictional forces. The performance characteristics achieved by the cryomotor are: (i) a maximum linear speed of >50mm /s; (ii) a stroke of >10mm; (iii) a driving force of >0.2N; (iv) a response time of ˜29ms; and (v) a step resolution of ˜20nm.

Comparison of three empirical force fields for phonon calculations in CdSe quantum dots

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

Kelley, Anne Myers

Three empirical interatomic force fields are parametrized using structural, elastic, and phonon dispersion data for bulk CdSe and their predictions are then compared for the structures and phonons of CdSe quantum dots having average diameters of ~2.8 and ~5.2 nm (~410 and ~2630 atoms, respectively). The three force fields include one that contains only two-body interactions (Lennard-Jones plus Coulomb), a Tersoff-type force field that contains both two-body and three-body interactions but no Coulombic terms, and a Stillinger-Weber type force field that contains Coulombic interactions plus two-body and three-body terms. While all three force fields predict nearly identical peak frequencies formore » the strongly Raman-active “longitudinal optical” phonon in the quantum dots, the predictions for the width of the Raman peak, the peak frequency and width of the infrared absorption peak, and the degree of disorder in the structure are very different. The three force fields also give very different predictions for the variation in phonon frequency with radial position (core versus surface). The Stillinger-Weber plus Coulomb type force field gives the best overall agreement with available experimental data.« less

Magnetodynamic stability of a fluid cylinder under the Lundquist force-free magnetic field

NASA Astrophysics Data System (ADS)

Radwan, Ahmed E.; Halawa, Mohamed A.

1990-04-01

The magnetodynamic (in)stability of a conducting fluid cylinder subject to the capillarity and electromagnetic forces has been developed. The cylinder is pervaded by a uniform magnetic field but embedded in the Lundquist force-free varying field that allows for flowing a current surrounding the fluid. A general eigenvalue relation is derived based on a study of the equilibrium and perturbed states. The stability criterion is discussed analytically in general terms. The surface tension is destabilizing for small axisymmetric mode and stable for all others. The principle of the exchange of stability is allowed for the present problem due to the non-uniform behavior of the force-free field. Each of the axial and transverse force-free fields separately exerts a stabilizing influence in the most dangerous mode but the combined contribution of them is strongly destabilizing. Whether the model is acted upon the electromagnetic force (with the Lundquist field) the stability restrictions or/and the capillarity force are identified. Several reported works can be recovered as limiting cases with appropriate simplifications.

GPU Accelerated Ultrasonic Tomography Using Propagation and Back Propagation Method

DTIC Science & Technology

2015-09-28

the medical imaging field using GPUs has been done for many years. In [1], Copeland et al. used 2D images , obtained by X - ray projections, to...Index Terms— Medical Imaging , Ultrasonic Tomography, GPU, CUDA, Parallel Computing I. INTRODUCTION GRAPHIC Processing Units (GPUs) are computation... Imaging Algorithm The process of reconstructing images from ultrasonic infor- mation starts with the following acoustical wave equation: ∂2 ∂t2 u ( x

Effects of ultrasonic treatment on amylose-lipid complex formation and properties of sweet potato starch-based films.

PubMed

Liu, Pengfei; Wang, Rui; Kang, Xuemin; Cui, Bo; Yu, Bin

2018-06-01

To investigate the effect of ultrasonic treatment on the properties of sweet potato starch and sweet potato starch-based films, the complexing index, thermograms and diffractograms of the sweet potato starch-lauric acid composite were tested, and light transmission, microstructure, and mechanical and moisture barrier properties of the films were measured. The results indicated that the low power density ultrasound was beneficial to the formation of an inclusion complex. In thermograms, the gelatinization enthalpies of the ultrasonically treated starches were lower than those of the untreated sample. With the ultrasonic amplitude increased from 40% to 70%, the melting enthalpy (ΔH) of the inclusion complex gradually decreased. X-ray diffraction revealed that the diffraction intensity of the untreated samples was weaker than that of the ultrasonically treated samples. When the ultrasonic amplitude was above 40%, the diffraction intensity and relative crystallinity of inclusion complex gradually decreased. The scanning electronic microscope showed that the surface of the composite films became smooth after being treated by ultrasonication. Ultrasonication led to a reduction in film surface roughness under atomic force microscopy analysis. The films with ultrasonic treatment exhibited higher light transmission, lower elongation at break, higher tensile strength and better moisture barrier property than those without ultrasonic treatment. Copyright © 2018 Elsevier B.V. All rights reserved.

Ultrasonic Waves in Water Visualized With Schlieren Imaging

NASA Technical Reports Server (NTRS)

Juergens, Jeffrey R.

2000-01-01

The Acoustic Liquid Manipulation project at the NASA Glenn Research Center at Lewis Field is working with high-intensity ultrasound waves to produce acoustic radiation pressure and acoustic streaming. These effects can be used to propel liquid flows to manipulate floating objects and liquid surfaces. Interest in acoustic liquid manipulation has been shown in acoustically enhanced circuit board electroplating, microelectromechanical systems (MEMS), and microgravity space experiments. The current areas of work on this project include phased-array ultrasonic beam steering, acoustic intensity measurements, and schlieren imaging of the ultrasonic waves.

Computer Folding of RNA Tetraloops: Identification of Key Force Field Deficiencies.

PubMed

Kührová, Petra; Best, Robert B; Bottaro, Sandro; Bussi, Giovanni; Šponer, Jiří; Otyepka, Michal; Banáš, Pavel

2016-09-13

The computer-aided folding of biomolecules, particularly RNAs, is one of the most difficult challenges in computational structural biology. RNA tetraloops are fundamental RNA motifs playing key roles in RNA folding and RNA-RNA and RNA-protein interactions. Although state-of-the-art Molecular Dynamics (MD) force fields correctly describe the native state of these tetraloops as a stable free-energy basin on the microsecond time scale, enhanced sampling techniques reveal that the native state is not the global free energy minimum, suggesting yet unidentified significant imbalances in the force fields. Here, we tested our ability to fold the RNA tetraloops in various force fields and simulation settings. We employed three different enhanced sampling techniques, namely, temperature replica exchange MD (T-REMD), replica exchange with solute tempering (REST2), and well-tempered metadynamics (WT-MetaD). We aimed to separate problems caused by limited sampling from those due to force-field inaccuracies. We found that none of the contemporary force fields is able to correctly describe folding of the 5'-GAGA-3' tetraloop over a range of simulation conditions. We thus aimed to identify which terms of the force field are responsible for this poor description of TL folding. We showed that at least two different imbalances contribute to this behavior, namely, overstabilization of base-phosphate and/or sugar-phosphate interactions and underestimated stability of the hydrogen bonding interaction in base pairing. The first artifact stabilizes the unfolded ensemble, while the second one destabilizes the folded state. The former problem might be partially alleviated by reparametrization of the van der Waals parameters of the phosphate oxygens suggested by Case et al., while in order to overcome the latter effect we suggest local potentials to better capture hydrogen bonding interactions.

Ultrasonic Maintenance

NASA Technical Reports Server (NTRS)

1991-01-01

The Ultraprobe 2000, manufactured by UE Systems, Inc., Elmsford, NY, is a hand-held ultrasonic system that detects indications of bearing failure by analyzing changes in amplitude. It employs the technology of a prototype ultrasonic bearing-failure monitoring system developed by Mechanical Technology, Inc., Latham, New York and Marshall Space Flight Center (which was based on research into Skylab's gyroscope bearings). Bearings on the verge of failure send ultrasonic signals indicating their deterioration; the Ultraprobe changes these to audible signals. The operator hears the signals and gages their intensity with a meter in the unit.

Catch trials in force field learning influence adaptation and consolidation of human motor memory

PubMed Central

Stockinger, Christian; Focke, Anne; Stein, Thorsten

2014-01-01

Force field studies are a common tool to investigate motor adaptation and consolidation. Thereby, subjects usually adapt their reaching movements to force field perturbations induced by a robotic device. In this context, so-called catch trials, in which the disturbing forces are randomly turned off, are commonly used to detect after-effects of motor adaptation. However, catch trials also produce sudden large motor errors that might influence the motor adaptation and the consolidation process. Yet, the detailed influence of catch trials is far from clear. Thus, the aim of this study was to investigate the influence of catch trials on motor adaptation and consolidation in force field experiments. Therefore, 105 subjects adapted their reaching movements to robot-generated force fields. The test groups adapted their reaching movements to a force field A followed by learning a second interfering force field B before retest of A (ABA). The control groups were not exposed to force field B (AA). To examine the influence of diverse catch trial ratios, subjects received catch trials during force field adaptation with a probability of either 0, 10, 20, 30, or 40%, depending on the group. First, the results on motor adaptation revealed significant differences between the diverse catch trial ratio groups. With increasing amount of catch trials, the subjects' motor performance decreased and subjects' ability to accurately predict the force field—and therefore internal model formation—was impaired. Second, our results revealed that adapting with catch trials can influence the following consolidation process as indicated by a partial reduction to interference. Here, the optimal catch trial ratio was 30%. However, detection of consolidation seems to be biased by the applied measure of performance. PMID:24795598

In-plane ultrasonic velocity measurement of longitudinal and shear waves in the machine direction with transducers in rotating wheels

DOEpatents

Hall, Maclin S.; Jackson, Theodore G.; Knerr, Christopher

1998-02-17

An improved system for measuring the velocity of ultrasonic signals within the plane of moving web-like materials, such as paper, paperboard and the like. In addition to velocity measurements of ultrasonic signals in the plane of the web in the MD and CD, one embodiment of the system in accordance with the present invention is also adapted to provide on-line indication of the polar specific stiffness of the moving web. In another embodiment of the invention, the velocity of ultrasonic signals in the plane of the web are measured by way of a plurality of ultrasonic transducers carried by synchronously driven wheels or cylinders, thus eliminating undue transducer wear due to any speed differences between the transducers and the web. In order to provide relatively constant contact force between the transducers and the webs, the transducers are mounted in a sensor housings which include a spring for biasing the transducer radially outwardly. The sensor housings are adapted to be easily and conveniently mounted to the carrier to provide a relatively constant contact force between the transducers and the moving web.

Topological and statistical properties of nonlinear force-free fields

NASA Astrophysics Data System (ADS)

Mangalam, A.; Prasad, A.

2018-01-01

We use our semi-analytic solution of the nonlinear force-free field equation to construct three-dimensional magnetic fields that are applicable to the solar corona and study their statistical properties for estimating the degree of braiding exhibited by these fields. We present a new formula for calculating the winding number and compare it with the formula for the crossing number. The comparison is shown for a toy model of two helices and for realistic cases of nonlinear force-free fields; conceptually the formulae are nearly the same but the resulting distributions calculated for a given topology can be different. We also calculate linkages, which are useful topological quantities that are independent measures of the contribution of magnetic braiding to the total free energy and relative helicity of the field. Finally, we derive new analytical bounds for the free energy and relative helicity for the field configurations in terms of the linking number. These bounds will be of utility in estimating the braided energy available for nano-flares or for eruptions.

Drilling High Precision Holes in Ti6Al4V Using Rotary Ultrasonic Machining and Uncertainties Underlying Cutting Force, Tool Wear, and Production Inaccuracies.

PubMed

Chowdhury, M A K; Sharif Ullah, A M M; Anwar, Saqib

2017-09-12

Ti6Al4V alloys are difficult-to-cut materials that have extensive applications in the automotive and aerospace industry. A great deal of effort has been made to develop and improve the machining operations of Ti6Al4V alloys. This paper presents an experimental study that systematically analyzes the effects of the machining conditions (ultrasonic power, feed rate, spindle speed, and tool diameter) on the performance parameters (cutting force, tool wear, overcut error, and cylindricity error), while drilling high precision holes on the workpiece made of Ti6Al4V alloys using rotary ultrasonic machining (RUM). Numerical results were obtained by conducting experiments following the design of an experiment procedure. The effects of the machining conditions on each performance parameter have been determined by constructing a set of possibility distributions (i.e., trapezoidal fuzzy numbers) from the experimental data. A possibility distribution is a probability-distribution-neural representation of uncertainty, and is effective in quantifying the uncertainty underlying physical quantities when there is a limited number of data points which is the case here. Lastly, the optimal machining conditions have been identified using these possibility distributions.

Rotation of a metal gear disk in an ultrasonic levitator

NASA Astrophysics Data System (ADS)

Rendon, Pablo L.; Boullosa, Ricardo R.; Salazar, Laura

2016-11-01

The phenomenon known as acoustic radiation pressure is well-known to be associated with the time-averaged momentum flux of an acoustic wave, and precisely because it is a time-averaged effect, it is relatively easy to observe experimentally. An ultrasonic levitator makes use of this effect to levitate small particles. Although it is a less-well studied effect, the transfer of angular momentum using acoustic waves in air or liquids has nonetheless been the subject of some recent studies. This transfer depends on the scattering and absorbing properties of the object and is achieved, typically, through the generation of acoustic vortex beams. In the present study, we examine the manner in which the acoustic standing wave located between two disks of an ultrasonic levitator in air may transfer angular momentum to objects with different shapes. In this case, a non-spherical object is subjected to, in addition to the radiation force, a torque which induces rotation. Analytical solutions for the acoustic force and torque are available, but limited to a few simple cases. In general, a finite element model must be used to obtain solutions. Thus, we develop and validate a finite element simulation in order to calculate directly the torque and radiation force.

Effect of Ultrasonic Frequency on Lactic Acid Fermentation Promotion by Ultrasonic Irradiation

NASA Astrophysics Data System (ADS)

Shimada, Tadayuki; Ohdaira, Etsuzo; Masuzawa, Nobuyoshi

2004-05-01

The authors have been researching the promotion of lactic acid fermentation by ultrasonic irradiation. In the past research, it was proven that ultrasonic irradiation is effective in the process of fermentation, and the production of yoghurt and kefir was promoted. In this study, the effect of the ultrasonic frequency in this fermentation process was examined. In the frequency range of this study, it was found that the action of fermentation promotion was exponentially proportionate to the irradiated ultrasonic frequency.

An extended model for ultrasonic-based enhanced oil recovery with experimental validation.

PubMed

Mohsin, Mohammed; Meribout, Mahmoud

2015-03-01

This paper suggests a new ultrasonic-based enhanced oil recovery (EOR) model for application in oil field reservoirs. The model is modular and consists of an acoustic module and a heat transfer module, where the heat distribution is updated when the temperature rise exceeds 1 °C. The model also considers the main EOR parameters which includes both the geophysical (i.e., porosity, permeability, temperature rise, and fluid viscosity) and acoustical (e.g., acoustic penetration and pressure distribution in various fluids and mediums) properties of the wells. Extended experiments were performed using powerful ultrasonic waves which were applied for different kind of oils & oil saturated core samples. The corresponding results showed a good matching with those obtained from simulations, validating the suggested model to some extent. Hence, a good recovery rate of around 88.2% of original oil in place (OOIP) was obtained after 30 min of continuous generation of ultrasonic waves. This leads to consider the ultrasonic-based EOR as another tangible solution for EOR. This claim is supported further by considering several injection wells where the simulation results indicate that with four (4) injection wells; the recovery rate may increase up-to 96.7% of OOIP. This leads to claim the high potential of ultrasonic-based EOR as compared to the conventional methods. Following this study, the paper also proposes a large scale ultrasonic-based EOR hardware system for installation in oil fields. Copyright © 2014 Elsevier B.V. All rights reserved.

Experimental investigation of conical bubble structure and acoustic flow structure in ultrasonic field.

PubMed

Ma, Xiaojian; Huang, Biao; Wang, Guoyu; Zhang, Mindi

2017-01-01

The objective of this paper is to investigate the transient conical bubble structure (CBS) and acoustic flow structure in ultrasonic field. In the experiment, the high-speed video and particle image velocimetry (PIV) techniques are used to measure the acoustic cavitation patterns, as well as the flow velocity and vorticity fields. Results are presented for a high power ultrasound with a frequency of 18kHz, and the range of the input power is from 50W to 250W. The results of the experiment show the input power significantly affects the structures of CBS, with the increase of input power, the cavity region of CBS and the velocity of bubbles increase evidently. For the transient motion of bubbles on radiating surface, two different types could be classified, namely the formation, aggregation and coalescence of cavitation bubbles, and the aggregation, shrink, expansion and collapse of bubble cluster. Furthermore, the thickness of turbulent boundary layer near the sonotrode region is found to be much thicker, and the turbulent intensities are much higher for relatively higher input power. The vorticity distribution is prominently affected by the spatial position and input power. Copyright © 2016 Elsevier B.V. All rights reserved.

An Analysis of Peak Wind Speed Data from Collocated Mechanical and Ultrasonic Anemometers

NASA Technical Reports Server (NTRS)

Short, David A.; Wells, Leonard; Merceret, Francis J.; Roeder, William P.

2007-01-01

This study compared peak wind speeds reported by mechanical and ultrasonic anemometers at Cape Canaveral Air Force Station and Kennedy Space Center (CCAFS/KSC) on the east central coast of Florida and Vandenberg Air Force Base (VAFB) on the central coast of California. Launch Weather Officers, forecasters, and Range Safety analysts need to understand the performance of wind sensors at CCAFS/KSC and VAFB for weather warnings, watches, advisories, special ground processing operations, launch pad exposure forecasts, user Launch Commit Criteria (LCC) forecasts and evaluations, and toxic dispersion support. The legacy CCAFS/KSC and VAFB weather tower wind instruments are being changed from propeller-and-vane (CCAFS/KSC) and cup-and-vane (VAFB) sensors to ultrasonic sensors under the Range Standardization and Automation (RSA) program. Mechanical and ultrasonic wind measuring techniques are known to cause differences in the statistics of peak wind speed as shown in previous studies. The 45th Weather Squadron (45 WS) and the 30th Weather Squadron (30 WS) requested the Applied Meteorology Unit (AMU) to compare data between the RSA ultrasonic and legacy mechanical sensors to determine if there are significant differences. Note that the instruments were sited outdoors under naturally varying conditions and that this comparison was not designed to verify either technology. Approximately 3 weeks of mechanical and ultrasonic wind data from each range from May and June 2005 were used in this study. The CCAFS/KSC data spanned the full diurnal cycle, while the VAFB data were confined to 1000-1600 local time. The sample of 1-minute data from numerous levels on five different towers on each range totaled more than 500,000 minutes of data (482,979 minutes of data after quality control). The ten towers were instrumented at several levels, ranging from 12 ft to 492 ft above ground level. The ultrasonic sensors were collocated at the same vertical levels as the mechanical sensors and

Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview.

PubMed

Riniker, Sereina

2018-03-26

In molecular dynamics or Monte Carlo simulations, the interactions between the particles (atoms) in the system are described by a so-called force field. The empirical functional form of classical fixed-charge force fields dates back to 1969 and remains essentially unchanged. In a fixed-charge force field, the polarization is not modeled explicitly, i.e. the effective partial charges do not change depending on conformation and environment. This simplification allows, however, a dramatic reduction in computational cost compared to polarizable force fields and in particular quantum-chemical modeling. The past decades have shown that simulations employing carefully parametrized fixed-charge force fields can provide useful insights into biological and chemical questions. This overview focuses on the four major force-field families, i.e. AMBER, CHARMM, GROMOS, and OPLS, which are based on the same classical functional form and are continuously improved to the present day. The overview is aimed at readers entering the field of (bio)molecular simulations. More experienced users may find the comparison and historical development of the force-field families interesting.

Ultrasonic speech translator and communications system

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

Akerman, M.A.; Ayers, C.W.; Haynes, H.D.

1996-07-23

A wireless communication system undetectable by radio frequency methods for converting audio signals, including human voice, to electronic signals in the ultrasonic frequency range, transmitting the ultrasonic signal by way of acoustical pressure waves across a carrier medium, including gases, liquids, or solids, and reconverting the ultrasonic acoustical pressure waves back to the original audio signal. The ultrasonic speech translator and communication system includes an ultrasonic transmitting device and an ultrasonic receiving device. The ultrasonic transmitting device accepts as input an audio signal such as human voice input from a microphone or tape deck. The ultrasonic transmitting device frequency modulatesmore » an ultrasonic carrier signal with the audio signal producing a frequency modulated ultrasonic carrier signal, which is transmitted via acoustical pressure waves across a carrier medium such as gases, liquids or solids. The ultrasonic receiving device converts the frequency modulated ultrasonic acoustical pressure waves to a frequency modulated electronic signal, demodulates the audio signal from the ultrasonic carrier signal, and conditions the demodulated audio signal to reproduce the original audio signal at its output. 7 figs.« less

Ultrasonic speech translator and communications system

DOEpatents

Akerman, M.A.; Ayers, C.W.; Haynes, H.D.

1996-07-23

A wireless communication system undetectable by radio frequency methods for converting audio signals, including human voice, to electronic signals in the ultrasonic frequency range, transmitting the ultrasonic signal by way of acoustical pressure waves across a carrier medium, including gases, liquids, or solids, and reconverting the ultrasonic acoustical pressure waves back to the original audio signal. The ultrasonic speech translator and communication system includes an ultrasonic transmitting device and an ultrasonic receiving device. The ultrasonic transmitting device accepts as input an audio signal such as human voice input from a microphone or tape deck. The ultrasonic transmitting device frequency modulates an ultrasonic carrier signal with the audio signal producing a frequency modulated ultrasonic carrier signal, which is transmitted via acoustical pressure waves across a carrier medium such as gases, liquids or solids. The ultrasonic receiving device converts the frequency modulated ultrasonic acoustical pressure waves to a frequency modulated electronic signal, demodulates the audio signal from the ultrasonic carrier signal, and conditions the demodulated audio signal to reproduce the original audio signal at its output. 7 figs.

Ultrasonic speech translator and communications system

DOEpatents

Akerman, M. Alfred; Ayers, Curtis W.; Haynes, Howard D.

1996-01-01

A wireless communication system undetectable by radio frequency methods for converting audio signals, including human voice, to electronic signals in the ultrasonic frequency range, transmitting the ultrasonic signal by way of acoustical pressure waves across a carrier medium, including gases, liquids, or solids, and reconverting the ultrasonic acoustical pressure waves back to the original audio signal. The ultrasonic speech translator and communication system (20) includes an ultrasonic transmitting device (100) and an ultrasonic receiving device (200). The ultrasonic transmitting device (100) accepts as input (115) an audio signal such as human voice input from a microphone (114) or tape deck. The ultrasonic transmitting device (100) frequency modulates an ultrasonic carrier signal with the audio signal producing a frequency modulated ultrasonic carrier signal, which is transmitted via acoustical pressure waves across a carrier medium such as gases, liquids or solids. The ultrasonic receiving device (200) converts the frequency modulated ultrasonic acoustical pressure waves to a frequency modulated electronic signal, demodulates the audio signal from the ultrasonic carrier signal, and conditions the demodulated audio signal to reproduce the original audio signal at its output (250).

A square-plate ultrasonic linear motor operating in two orthogonal first bending modes.

PubMed

Chen, Zhijiang; Li, Xiaotian; Chen, Jianguo; Dong, Shuxiang

2013-01-01

A novel square-plate piezoelectric ultrasonic linear motor operated in two orthogonal first bending vibration modes (B₁) is proposed. The piezoelectric vibrator of the linear motor is simply made of a single PZT ceramic plate (sizes: 15 x 15 x 2 mm) and poled in its thickness direction. The top surface electrode of the square ceramic plate was divided into four active areas along its two diagonal lines for exciting two orthogonal B₁ modes. The achieved driving force and speed from the linear motor are 1.8 N and 230 mm/s, respectively, under one pair orthogonal voltage drive of 150 V(p-p) at the resonance frequency of 92 kHz. The proposed linear motor has advantages over conventional ultrasonic linear motors, such as relatively larger driving force, very simple working mode and structure, and low fabrication cost.

Broadband reflective metasurface for focusing underwater ultrasonic waves with linearly tunable focal length

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

Wu, Xiaoxiao; Tian, Jingxuan; Wen, Weijia, E-mail: phwen@ust.hk

2016-04-18

We report a metasurface for focusing reflected ultrasonic waves over a wide frequency band of 0.45–0.55 MHz. The broadband focusing effect of the reflective metasurface is studied numerically and then confirmed experimentally using near-field scanning techniques. The focusing mechanism can be attributed to the hyperboloidal reflection phase profile imposed by different depths of concentric grooves on the metasurface. In particular, the focal lengths of the reflective metasurface are extracted from simulations and experiments, and both exhibit good linear dependence on frequency over the considered frequency band. The proposed broadband reflective metasurface with tunable focal length has potential applications in the broadmore » field of ultrasonics, such as ultrasonic tomographic imaging, high intensity focused ultrasound treatment, etc.« less

Ultrasonic Bolt Gage

NASA Technical Reports Server (NTRS)

Gleman, Stuart M. (Inventor); Rowe, Geoffrey K. (Inventor)

1999-01-01

An ultrasonic bolt gage is described which uses a crosscorrelation algorithm to determine a tension applied to a fastener, such as a bolt. The cross-correlation analysis is preferably performed using a processor operating on a series of captured ultrasonic echo waveforms. The ultrasonic bolt gage is further described as using the captured ultrasonic echo waveforms to perform additional modes of analysis, such as feature recognition. Multiple tension data outputs, therefore, can be obtained from a single data acquisition for increased measurement reliability. In addition, one embodiment of the gage has been described as multi-channel, having a multiplexer for performing a tension analysis on one of a plurality of bolts.

Force fields for describing the solution-phase synthesis of shape-selective metal nanoparticles

NASA Astrophysics Data System (ADS)

Zhou, Ya; Al-Saidi, Wissam; Fichthorn, Kristen

2013-03-01

Polyvinylpyrrolidone (PVP) and polyethylene oxide (PEO) are structure-directing agents that exhibit different performance in the polyol synthesis of Ag nanostructures. The success of these structure-directing agents in selective nanostructure synthesis is often attributed to their selective binding to Ag(100) facets. We use first-principles, density-functional theory (DFT) calculations in a vacuum environment to show that PVP has a stronger preference to bind to Ag(100) than to Ag(111), whereas PEO exhibits much weaker selectivity. To understand the role of solvent in the surface-sensitive binding, we develop classical force fields to describe the interactions of the structure-directing (PVP and PEO) and solvent (ethylene glycol) molecules with various Ag substrates. We parameterize the force fields through force-and-energy matching to DFT results using simulated annealing. We validate the force fields by comparisons to DFT and experimental binding energies. Our force fields reproduce the surface-sensitive binding predicted by DFT calculations. Molecular dynamics simulations based on these force fields can be used to reveal the role of solvent, polymer chain length, and polymer concentration in the selective synthesis of Ag nanostructures.

Critical Comparison of Biomembrane Force Fields: Protein-Lipid Interactions at the Membrane Interface.

PubMed

Sandoval-Perez, Angelica; Pluhackova, Kristyna; Böckmann, Rainer A

2017-05-09

Molecular dynamics (MD) simulations offer the possibility to study biological processes at high spatial and temporal resolution often not reachable by experiments. Corresponding biomolecular force field parameters have been developed for a wide variety of molecules ranging from inorganic ligands and small organic molecules over proteins and lipids to nucleic acids. Force fields have typically been parametrized and validated on thermodynamic observables and structural characteristics of individual compounds, e.g. of soluble proteins or lipid bilayers. Less strictly, due to the added complexity and missing experimental data to compare to, force fields have hardly been tested on the properties of mixed systems, e.g. on protein-lipid systems. Their selection and combination for mixed systems is further complicated by the partially differing parametrization strategies. Additionally, the presence of other compounds in the system may shift the subtle balance of force field parameters. Here, we assessed the protein-lipid interactions as described in the four atomistic force fields GROMOS54a7, CHARMM36 and the two force field combinations Amber14sb/Slipids and Amber14sb/Lipid14. Four observables were compared, focusing on the membrane-water interface: the conservation of the secondary structure of transmembrane proteins, the positioning of transmembrane peptides relative to the lipid bilayer, the insertion depth of side chains of unfolded peptides absorbed at the membrane interface, and the ability to reproduce experimental insertion energies of Wimley-White peptides at the membrane interface. Significant differences between the force fields were observed that affect e.g. membrane insertion depths and tilting of transmembrane peptides.

Separation Process of Fine Coals by Ultrasonic Vibration Gas-Solid Fluidized Bed

PubMed Central

Wei, Hua; Xie, Weining

2017-01-01

Ultrasonic vibration gas-solid fluidized bed was proposed and introduced to separate fine coals (0.5–0.125 mm fraction). Several technological methods such as XRF, XRD, XPS, and EPMA were used to study the composition of heavy products to evaluate the separation effect. Results show that the ultrasonic vibration force field strengthens the particle separation process based on density when the vibration frequency is 35 kHz and the fluidization number is 1.8. The ash difference between the light and heavy products and the recovery of combustible material obtain the maximum values of 47.30% and 89.59%, respectively. The sulfur content of the heavy product reaches the maximum value of 6.78%. Chemical state analysis of sulfur shows that organic sulfur (-C-S-), sulfate-sulfur (-SO4), and pyrite-sulfur (-S2) are confirmed in the original coal and heavy product. Organic sulfur (-C-S-) is mainly concentrated in the light product, and pyrite-sulfur (-S2) is significantly enriched in the heavy product. The element composition, phase composition, backscatter imagery, and surface distribution of elements for heavy product show concentration of high-density minerals including pyrite, quartz, and kaolinite. Some harmful elements such as F, Pb, and As are also concentrated in the heavy product. PMID:28845160

Removing function model and experiments on ultrasonic polishing molding die

NASA Astrophysics Data System (ADS)

Huang, Qitai; Ni, Ying; Yu, Jingchi

2010-10-01

Low temperature glass molding technology is the main method on volume-producing high precision middle and small diameter optical cells in the future. While the accuracy of the molding die will effect the cell precision, so the high precision molding die development is one of the most important part of the low temperature glass molding technology. The molding die is manufactured from high rigid and crisp metal alloy, with the ultrasonic vibration character of high vibration frequency and concentrative energy distribution; abrasive particles will impact the rigid metal alloy surface with very high speed that will remove the material from the work piece. Ultrasonic can make the rigid metal alloy molding die controllable polishing and reduce the roughness and surface error. Different from other ultrasonic fabrication method, untouched ultrasonic polishing is applied on polish the molding die, that means the tool does not touch the work piece in the process of polishing. The abrasive particles vibrate around the balance position with high speed and frequency under the drive of ultrasonic vibration in the liquid medium and impact the workspace surface, the energy of abrasive particles come from ultrasonic vibration, while not from the direct hammer blow of the tool. So a nummular vibrator simple harmonic vibrates on an infinity plane surface is considered as a model of ultrasonic polishing working condition. According to Huygens theory the sound field distribution on a plane surface is analyzed and calculated, the tool removing function is also deduced from this distribution. Then the simple point ultrasonic polishing experiment is proceeded to certificate the theory validity.

New force field for molecular simulation of guanidinium-based ionic liquids.

PubMed

Liu, Xiaomin; Zhang, Suojiang; Zhou, Guohui; Wu, Guangwen; Yuan, Xiaoliang; Yao, Xiaoqian

2006-06-22

An all-atom force field was proposed for a new class of room temperature ionic liquids (RTILs), N,N,N',N'-tetramethylguanidinium (TMG) RTILs. The model is based on the AMBER force field with modifications on several parameters. The refinements include (1) fitting the vibration frequencies for obtaining force coefficients of bonds and angles against the data obtained by ab initio calculations and/or by experiments and (2) fitting the torsion energy profiles of dihedral angles for obtaining torsion parameters against the data obtained by ab initio calculations. To validate the force field, molecular dynamics (MD) simulations at different temperatures were performed for five kinds of RTILs, where TMG acts as a cation and formate, lactate, perchlorate, trifluoroacetate, and trifluoromethylsulfonate act as anions. The predicted densities were in good agreement with the experimental data. Radial distribution functions (RDFs) and spatial distribution functions (SDFs) were investigated to depict the microscopic structures of the RTILs.

Influence of Pressure Field in Melts on the Primary Nucleation in Solidification Processing

NASA Astrophysics Data System (ADS)

Rakita, Milan; Han, Qingyou

2017-10-01

It is well known that external fields applied to melts can cause nucleation at lower supercoolings, fragmentation of growing dendrites, and forced convection around the solidification front. All these effects contribute to a finer microstructure of solidified material. In this article, we analyze how the pressure field created with ultrasonic vibrations influences structure refinement in terms of supercooling. It is shown that only high cavitation pressures of the order of 104 atmospheres are capable of nucleating crystals at minimal supercoolings. We demonstrate the possibility of sononucleation even in superheated liquid. Simulation and experiments with water samples show that very high cavitation pressures occur in a relatively narrow zone where the drive acoustic field has an appropriate combination of pressure amplitude and frequency. In order to accurately predict the microstructure formed by ultrasonically assisted solidification of metals, this article calls for the development of equations of state that would describe the pressure-dependent behavior of molten metals.

Effects of Ultrasonic Parameters on the Crystallization Behavior of Virgin Coconut Oil.

PubMed

Wu, Linhe; Cao, Jun; Bai, Xinpeng; Chen, Haiming; Zhang, Yuxiang; Wu, Qian

2016-12-01

Crystallization behavior of virgin coconut oil (VCO) in the absence and presence of ultrasonic treatment under a temperature gradient field was investigated. The effects of ultrasonic parameters on the crystallization behavior of VCO were studied by differential scanning calorimetry, ultraviolet/visible spectrophotometry and polarized light microscopy. The thermal effect of the ultrasonic treatment was also increased at higher power levels. Therefore, the optimal power level was determined at approximately 36 W. Induction time reduced evidently and the crystallization rate was accelerated under ultrasonic treatment at crystallization temperature (T c ) above 15°C. However, no significant difference in induction time was noted at 13°C. The result of morphological studies showed that the growth mechanism of crystals was significantly changed. Meanwhile, smaller and uniform crystals were produced by the ultrasonic treatment. This study shows a novel technique to accelerate the crystallization rate and alter the growth mechanism of VCO crystals.

Ultrasonic Phased Array Sound Field Mapping Through Large-Bore Coarse Grained Cast Austenitic Stainless Steel (CASS) Piping Materials

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

Cinson, Anthony D.; Crawford, Susan L.; Prowant, Matthew S.

2012-04-16

A sound field beam mapping exercise was conducted to further understand the effects of coarse grained microstructures found in CASS materials on phased array ultrasonic wave propagation. Laboratory measurements were made on three CASS specimens with different microstructures; the specimens were polished and etched to reveal measurable grain sizes, shapes and orientations. Three longitudinal, phased array probes were fixed on a specimen's outside diameter with the sound field directed toward one end (face) of the pipe segment over a fixed range of angles. A point receiver was raster scanned over the surface of the specimen face generating a sound fieldmore » image. A slice of CASS material was then removed from the specimen end and the beam mapping exercise repeated. The sound fields acquired were analyzed for spot size, coherency, and beam redirection. Analyses were conducted between the resulting sound fields and the microstructural characteristics of each specimen.« less

Comparative study of conventional and ultrasonically-assisted bone drilling.

PubMed

Alam, K; Ahmed, Naseer; Silberschmidt, V V

2014-01-01

Bone drilling is a well-known surgical procedure in orthopaedics and dentistry for fracture treatment and reconstruction. Advanced understanding of the mechanics of the drill-bone interaction is necessary to overcome challenges associated with the process and related postoperative complications. The aim of this study was to explore the benefits of a novel drilling technique, ultrasonically-assisted drilling (UAD), and its possible utilization in orthopaedic surgeries. The study was performed by conducting experiments to understand the basic mechanics of the drilling process using high speed filming of the drilling zone followed by measurements to quantify thrust force, surface roughness and cracking of the bone near the immediate vicinity of the hole with and without ultrasonic assistance. Compared to the spiral chips produced during conventional drilling (CD), UAD was found to break the chips in small pieces which facilitated their fast evacuation from the cutting region. In UAD, lower drilling force and better surface roughness was measured in drilling in the radial and longitudinal axis of the bone. UAD produced crack-free holes which will enhance postoperative performance of fixative devices anchoring the bone. UAD may be used as a possible substitute for CD in orthopaedic clinics.

Ultrasonic waste activated sludge disintegration for improving anaerobic stabilization.

PubMed

Tiehm, A; Nickel, K; Zellhorn, M; Neis, U

2001-06-01

The pretreatment of waste activated sludge by ultrasonic disintegration was studied in order to improve the anaerobic sludge stabilization. The ultrasound frequency was varied within a range from 41 to 3217 kHz. The impact of different ultrasound intensities and treatment times was examined. Sludge disintegration was most significant at low frequencies. Low-frequency ultrasound creates large cavitation bubbles which upon collapse initiate powerful jet streams exerting strong shear forces in the liquid. The decreasing sludge disintegration efficiency observed at higher frequencies was attributed to smaller cavitation bubbles which do not allow the initiation of such strong shear forces. Short sonication times resulted in sludge floc deagglomeration without the destruction of bacteria cells. Longer sonication brought about the break-up of cell walls, the sludge solids were distintegrated and dissolved organic compounds were released. The anaerobic digestion of waste activated sludge following ultrasonic pretreatment causing microbial cell lysis was significantly improved. There was an increase in the volatile solids degradation as well as an increase in the biogas production. The increase in digestion efficiency was proportional to the degree of sludge disintegration. To a lesser degree the deagglomeration of sludge flocs also augmented the anaerobic volatile solids degradation.

Research on Ultrasonic Flaw Detection of Steel Weld in Spatial Grid Structure

NASA Astrophysics Data System (ADS)

Du, Tao; Sun, Jiandong; Fu, Shengguang; Zhang, Changquan; Gao, Qing

2017-06-01

The welding quality of spatial grid member is an important link in quality control of steel structure. The paper analyzed the reasons that the welding seam of small-bore pipe with thin wall grid structure is difficult to be detected by ultrasonic wave from the theoretical and practical aspects. A series of feasible detection methods was also proposed by improving probe and operation approaches in this paper, and the detection methods were verified by project cases. Over the years, the spatial grid structure is widely used the engineering by virtue of its several outstanding characteristics such as reasonable structure type, standard member, excellent space integrity and quick installation. The wide application of spatial grid structure brings higher requirements on nondestructive test of grid structure. The implementation of new Code for Construction Quality Acceptance of Steel Structure Work GB50205-2001 strengthens the site inspection of steel structure, especially the site inspection of ultrasonic flaw detection in steel weld. The detection for spatial grid member structured by small-bore and thin-walled pipes is difficult due to the irregular influence of sound pressure in near-field region of sound field, sound beam diffusion generated by small bore pipe and reduction of sensitivity. Therefore, it is quite significant to select correct detecting conditions. The spatial grid structure of welding ball and bolt ball is statically determinate structure with high-order axial force which is connected by member bars and joints. It is welded by shrouding or conehead of member bars and of member bar and bolt-node sphere. It is obvious that to ensure the quality of these welding positions is critical to the quality of overall grid structure. However, the complexity of weld structure and limitation of ultrasonic detection method cause many difficulties in detection. No satisfactory results will be obtained by the conventional detection technology, so some special

The use of ultrasonic properties of CR-39 track detectors in neutron dosimetry

NASA Astrophysics Data System (ADS)

Afifi, H.; El-Sersy, A.; Khaled, N.

2004-01-01

The longitudinal and shear wave ultrasonic velocities have been measured before and after exposing 5-mm thick CR-39 solid state nuclear track detectors to both a mixed field of gamma-rays and fast neutrons from an Am-Be source in the ranges from 0 to 10 4 mSv. The change in the intermolecular structure as caused by the fast neutron exposure was studied by the ultrasonic pulse echo method at a frequency of 2 MHz and at room temperature. The elastic coefficients, Poisson's ratio, microhardness, ultrasonic absorption coefficient and internal friction have been determined. The study shows that the gamma-ray irradiation had no effect on the ultrasonic properties of CR-39 at least at the used doses. However, all the ultrasonic properties are influenced by the fast neutrons at doses up to 10 4 mSv. Our experimental results confirmed that the ultrasonic technique is useful for fast neutron detection, by exploiting the differences in mechanical properties of CR-39.

Exploring the parameter space of the coarse-grained UNRES force field by random search: selecting a transferable medium-resolution force field.

PubMed

He, Yi; Xiao, Yi; Liwo, Adam; Scheraga, Harold A

2009-10-01

We explored the energy-parameter space of our coarse-grained UNRES force field for large-scale ab initio simulations of protein folding, to obtain good initial approximations for hierarchical optimization of the force field with new virtual-bond-angle bending and side-chain-rotamer potentials which we recently introduced to replace the statistical potentials. 100 sets of energy-term weights were generated randomly, and good sets were selected by carrying out replica-exchange molecular dynamics simulations of two peptides with a minimal alpha-helical and a minimal beta-hairpin fold, respectively: the tryptophan cage (PDB code: 1L2Y) and tryptophan zipper (PDB code: 1LE1). Eight sets of parameters produced native-like structures of these two peptides. These eight sets were tested on two larger proteins: the engrailed homeodomain (PDB code: 1ENH) and FBP WW domain (PDB code: 1E0L); two sets were found to produce native-like conformations of these proteins. These two sets were tested further on a larger set of nine proteins with alpha or alpha + beta structure and found to locate native-like structures of most of them. These results demonstrate that, in addition to finding reasonable initial starting points for optimization, an extensive search of parameter space is a powerful method to produce a transferable force field. Copyright 2009 Wiley Periodicals, Inc.

A new force field including charge directionality for TMAO in aqueous solution

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

Usui, Kota; Nagata, Yuki, E-mail: sulpizi@uni-mainz.de, E-mail: nagata@mpip-mainz.mpg.de; Hunger, Johannes

We propose a new force field for trimethylamine N-oxide (TMAO), which is designed to reproduce the long-lived and highly directional hydrogen bond between the TMAO oxygen (O{sub TMAO}) atom and surrounding water molecules. Based on the data obtained by ab initio molecular dynamics simulations, we introduce three dummy sites around O{sub TMAO} to mimic the O{sub TMAO} lone pairs and we migrate the negative charge on the O{sub TMAO} to the dummy sites. The force field model developed here improves both structural and dynamical properties of aqueous TMAO solutions. Moreover, it reproduces the experimentally observed dependence of viscosity upon increasingmore » TMAO concentration quantitatively. The simple procedure of the force field construction makes it easy to implement in molecular dynamics simulation packages and makes it compatible with the existing biomolecular force fields. This paves the path for further investigation of protein-TMAO interaction in aqueous solutions.« less

An implicit divalent counterion force field for RNA molecular dynamics

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

Henke, Paul S.; Mak, Chi H., E-mail: cmak@usc.edu; Center of Applied Mathematical Sciences, University of Southern California, Los Angeles, California 90089

How to properly account for polyvalent counterions in a molecular dynamics simulation of polyelectrolytes such as nucleic acids remains an open question. Not only do counterions such as Mg{sup 2+} screen electrostatic interactions, they also produce attractive intrachain interactions that stabilize secondary and tertiary structures. Here, we show how a simple force field derived from a recently reported implicit counterion model can be integrated into a molecular dynamics simulation for RNAs to realistically reproduce key structural details of both single-stranded and base-paired RNA constructs. This divalent counterion model is computationally efficient. It works with existing atomistic force fields, or coarse-grainedmore » models may be tuned to work with it. We provide optimized parameters for a coarse-grained RNA model that takes advantage of this new counterion force field. Using the new model, we illustrate how the structural flexibility of RNA two-way junctions is modified under different salt conditions.« less

Experimental studies of protozoan response to intense magnetic fields and forces

NASA Astrophysics Data System (ADS)

Guevorkian, Karine

Intense static magnetic fields of up to 31 Tesla were used as a novel tool to manipulate the swimming mechanics of unicellular organisms. It is shown that homogenous magnetic fields alter the swimming trajectories of the single cell protozoan Paramecium caudatum, by aligning them parallel to the applied field. Immobile neutrally buoyant paramecia also oriented in magnetic fields with similar rates as the motile ones. It was established that the magneto-orientation is mostly due to the magnetic torques acting on rigid structures in the cell body and therefore the response is a non-biological, passive response. From the orientation rate of paramecia in various magnetic field strengths, the average anisotropy of the diamagnetic susceptibility of the cell was estimated. It has also been demonstrated that magnetic forces can be used to create increased, decreased and even inverted simulated gravity environments for the investigation of the gravi-responses of single cells. Since the mechanisms by which Earth's gravity affects cell functioning are still not fully understood, a number of methods to simulate different strength gravity environments, such as centrifugation, have been employed. Exploiting the ability to exert magnetic forces on weakly diamagnetic constituents of the cells, we were able to vary the gravity from -8 g to 10 g, where g is Earth's gravity. Investigations of the swimming response of paramecia in these simulated gravities revealed that they actively regulate their swimming speed to oppose the external force. This result is in agreement with centrifugation experiments, confirming the credibility of the technique. Moreover, the Paramecium's swimming ceased in simulated gravity of 10 g, indicating a maximum possible propulsion force of 0.7 nN. The magnetic force technique to simulate gravity is the only earthbound technique that can create increased and decreased simulated gravities in the same experimental setup. These findings establish a general

Study of ultrasonic cavitation during extraction of the peanut oil at varying frequencies.

PubMed

Zhang, Lei; Zhou, Cunshan; Wang, Bei; Yagoub, Abu El-Gasim A; Ma, Haile; Zhang, Xiao; Wu, Mian

2017-07-01

The ultrasonic extraction of oils is a typical physical processing technology. The extraction process was monitored from the standpoint of the oil quality and efficiency of oil extraction. In this study, the ultrasonic cavitation fields were measured by polyvinylidene fluoride (PVDF) sensor. Waveform of ultrasonic cavitation fields was gained and analyzed. The extraction yield and oxidation properties were compared. The relationship between the fields and cavitation oxidation was established. Numerical calculation of oscillation cycle was done for the cavitation bubbles. Results showed that the resonance frequency, f r , of the oil extraction was 40kHz. At f r , the voltage amplitude was the highest; the time was the shortest as reaching the amplitude of the waveform. Accordingly, the cavitation effect worked most rapidly, resulting in the strongest cavitation intensity. The extraction yield and oxidation properties were closely related to the cavitation effect. It controlled the cavitation oxidation effectively from the viewpoint of chemical and physical aspects. Copyright © 2017 Elsevier B.V. All rights reserved.

Ultrasonic Determination Of Recrystallization

NASA Technical Reports Server (NTRS)

Generazio, Edward R.

1988-01-01

State of recrystallization identified. Measurement of ultrasonic attenuation shows promise as means of detecting recrystallization in metal. Technique applicable to real-time acoustic monitoring of thermomechanical treatments. Starting with work-hardened material, one ultrasonically determines effect of annealing, using correlation between ultrasonic attenuation and temperature.

High-Performance Scanning Acousto-Ultrasonic System

NASA Technical Reports Server (NTRS)

Roth, Don; Martin, Richard; Kautz, Harold; Cosgriff, Laura; Gyekenyesi, Andrew

2006-01-01

A high-performance scanning acousto-ultrasonic system, now undergoing development, is designed to afford enhanced capabilities for imaging microstructural features, including flaws, inside plate specimens of materials. The system is expected to be especially helpful in analyzing defects that contribute to failures in polymer- and ceramic-matrix composite materials, which are difficult to characterize by conventional scanning ultrasonic techniques and other conventional nondestructive testing techniques. Selected aspects of the acousto-ultrasonic method have been described in several NASA Tech Briefs articles in recent years. Summarizing briefly: The acousto-ultrasonic method involves the use of an apparatus like the one depicted in the figure (or an apparatus of similar functionality). Pulses are excited at one location on a surface of a plate specimen by use of a broadband transmitting ultrasonic transducer. The stress waves associated with these pulses propagate along the specimen to a receiving transducer at a different location on the same surface. Along the way, the stress waves interact with the microstructure and flaws present between the transducers. The received signal is analyzed to evaluate the microstructure and flaws. The specific variant of the acousto-ultrasonic method implemented in the present developmental system goes beyond the basic principle described above to include the following major additional features: Computer-controlled motorized translation stages are used to automatically position the transducers at specified locations. Scanning is performed in the sense that the measurement, data-acquisition, and data-analysis processes are repeated at different specified transducer locations in an array that spans the specimen surface (or a specified portion of the surface). A pneumatic actuator with a load cell is used to apply a controlled contact force. In analyzing the measurement data for each pair of transducer locations in the scan, the total

Ultrasonic Nondestructive Evaluation Techniques Applied to the Quantitative Characterization of Textile Composite Materials

NASA Technical Reports Server (NTRS)

Miller, James G.

1997-01-01

In this Progress Report, we describe our recent developments of advanced ultrasonic nondestructive evaluation methods applied to the characterization of anisotropic materials. We present images obtained from experimental measurements of ultrasonic diffraction patterns for a thin woven composite in an immersion setup. In addition, we compare apparent signal loss measurements of the thin woven composite for phase-sensitive and phase-insensitive detection methods. All images of diffraction patterns have been included on the accompanying CD-ROM in the Adobe(Trademark) Portable Document Format (PDF). Due to the extensive amount of data, however, hardcopies of only a small representative selection of the images are included within the printed report. This Progress Report presents experimental results that support successful implementation of single element as well as one and two-dimensional ultrasonic array technologies for the inspection of textile composite structures. In our previous reports, we have addressed issues regarding beam profiles of ultrasonic pressure fields transmitted through a water reference path and transmitted through a thin woven composite sample path. Furthermore, we presented experimental results of the effect of a thin woven composite on the magnitude of an insonifying ultrasonic pressure field. In addition to the study of ultrasonic beam profiles, we consider issues relevant to the application of single-element, one-dimensional, and two-dimensional array technologies towards probing the mechanical properties of advanced engineering composites and structures. We provide comparisons between phase-sensitive and phase-insensitive detection methods for determination of textile composite structure parameters. We also compare phase-sensitive and phase-insensitive - - ---- ----- apparent signal loss measurements in an effort to study the phenomenon of phase cancellation at the face of a finite-aperture single-element receiver. Furthermore, in this

Flexible Force Field Parameterization through Fitting on the Ab Initio-Derived Elastic Tensor

PubMed Central

2017-01-01

Constructing functional forms and their corresponding force field parameters for the metal–linker interface of metal–organic frameworks is challenging. We propose fitting these parameters on the elastic tensor, computed from ab initio density functional theory calculations. The advantage of this top-down approach is that it becomes evident if functional forms are missing when components of the elastic tensor are off. As a proof-of-concept, a new flexible force field for MIL-47(V) is derived. Negative thermal expansion is observed and framework flexibility has a negligible effect on adsorption and transport properties for small guest molecules. We believe that this force field parametrization approach can serve as a useful tool for developing accurate flexible force field models that capture the correct mechanical behavior of the full periodic structure. PMID:28661672

Ultrasonic cleaning: Fundamental theory and application

NASA Technical Reports Server (NTRS)

Fuchs, F. John

1995-01-01

This presentation describes: the theory of ultrasonics, cavitation and implosion; the importance and application of ultrasonics in precision cleaning; explanations of ultrasonic cleaning equipment options and their application; process parameters for ultrasonic cleaning; and proper operation of ultrasonic cleaning equipment to achieve maximum results.

Improved side-chain torsion potentials for the Amber ff99SB protein force field

PubMed Central

Lindorff-Larsen, Kresten; Piana, Stefano; Palmo, Kim; Maragakis, Paul; Klepeis, John L; Dror, Ron O; Shaw, David E

2010-01-01

Recent advances in hardware and software have enabled increasingly long molecular dynamics (MD) simulations of biomolecules, exposing certain limitations in the accuracy of the force fields used for such simulations and spurring efforts to refine these force fields. Recent modifications to the Amber and CHARMM protein force fields, for example, have improved the backbone torsion potentials, remedying deficiencies in earlier versions. Here, we further advance simulation accuracy by improving the amino acid side-chain torsion potentials of the Amber ff99SB force field. First, we used simulations of model alpha-helical systems to identify the four residue types whose rotamer distribution differed the most from expectations based on Protein Data Bank statistics. Second, we optimized the side-chain torsion potentials of these residues to match new, high-level quantum-mechanical calculations. Finally, we used microsecond-timescale MD simulations in explicit solvent to validate the resulting force field against a large set of experimental NMR measurements that directly probe side-chain conformations. The new force field, which we have termed Amber ff99SB-ILDN, exhibits considerably better agreement with the NMR data. Proteins 2010. © 2010 Wiley-Liss, Inc. PMID:20408171

Explicit polarization: a quantum mechanical framework for developing next generation force fields.

PubMed

Gao, Jiali; Truhlar, Donald G; Wang, Yingjie; Mazack, Michael J M; Löffler, Patrick; Provorse, Makenzie R; Rehak, Pavel

2014-09-16

Conspectus Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions of certain properties. Yet, there is a need to further improve computational accuracy for the quantitative prediction of biomolecular interactions and to model properties that depend on the wave functions and not just the energy terms. A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. In this spirit, this approach is called a quantum mechanical force field (QMFF). X-Pol is a general fragment method for electronic structure calculations based on the partition of a condensed-phase or macromolecular system into subsystems ("fragments") to achieve computational efficiency. Here, intrafragment energy and the mutual electronic polarization of interfragment interactions are treated explicitly using quantum mechanics. X-Pol can be used as a general, multilevel electronic structure model for macromolecular systems, and it can also serve as a new-generation force field. As a quantum chemical model, a variational many-body (VMB) expansion approach is used to systematically improve interfragment interactions, including exchange repulsion, charge delocalization, dispersion, and other correlation energies. As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics. This Account first reviews the formulation of X-Pol, in the full variationally correct version, in the faster embedded version, and with systematic many-body improvements. We discuss illustrative examples

A new topological structure for the Langevin-type ultrasonic transducer.

PubMed

Lu, Xiaolong; Hu, Junhui; Peng, Hanmin; Wang, Yuan

2017-03-01

In this paper, a new topological structure for the Langevin-type ultrasonic transducer is proposed and investigated. The two cylindrical terminal blocks are conically shaped with four supporting plates each, and two cooling fins are disposed at the bottom of terminal blocks, adjacent to the piezoelectric rings. Experimental results show that it has larger vibration velocity, lower temperature rise and higher electroacoustic energy efficiency than the conventional Langevin transducer. The reasons for the phenomena can be well explained by the change of mass, heat dissipation surface and force factor of the transducer. The proposed design may effectively improve the performance of ultrasonic transducers, in terms of the working effect, energy consumption and working life. Copyright © 2016 Elsevier B.V. All rights reserved.

The acousto-ultrasonic approach

NASA Technical Reports Server (NTRS)

Vary, Alex

1987-01-01

The nature and underlying rationale of the acousto-ultrasonic approach is reviewed, needed advanced signal analysis and evaluation methods suggested, and application potentials discussed. Acousto-ultrasonics is an NDE technique combining aspects of acoustic emission methodology with ultrasonic simulation of stress waves. This approach uses analysis of simulated stress waves for detecting and mapping variations of mechanical properties. Unlike most NDE, acousto-ultrasonics is less concerned with flaw detection than with the assessment of the collective effects of various flaws and material anomalies. Acousto-ultrasonics has been applied chiefly to laminated and filament-wound fiber reinforced composites. It has been used to assess the significant strength and toughness reducing effects that can be wrought by combinations of essentially minor flaws and diffuse flaw populations. Acousto-ultrasonics assesses integrated defect states and the resultant variations in properties such as tensile, shear, and flexural strengths and fracture resistance. Matrix cure state, porosity, fiber orientation, fiber volume fraction, fiber-matrix bonding, and interlaminar bond quality are underlying factors.

TET Offensive II Field Force Vietnam After Action Report 31 January - 18 February 1968

DTIC Science & Technology

1968-03-01

and the 5th VC Division. V During this same period of time there were no majur shifts in ARVN forces . However III Corps shifted three...8217-".•: ’ ’SSIFJED U.S. ARMY. VIETNAM. II FIELD FORCE . TET OFFENSIVE II FIELD FORCE VIETNAM AFTER ACTION REPORT, 31 JANUARY-18 FEB- RUARY 1968...H FIELD FORCE VIETNAM AFTER ACTION REPORT 31 January-18 February 1968 RECORD K0- ! FlSjl fi-.-A-,>-•: it tT*\\ : *si h s» -wP Mr-, £< St

Numerical simulation and experiment on effect of ultrasonic in polymer extrusion processing

NASA Astrophysics Data System (ADS)

Wan, Yue; Fu, ZhiHong; Wei, LingJiao; Zang, Gongzheng; Zhang, Lei

2018-01-01

The influence of ultrasonic wave on the flow field parameters and the precision of extruded products are studied. Firstly, the effect of vibration power on the average velocity of the outlet, the average viscosity of the die section, the average shear rate and the inlet pressure of the die section were studied by using the Polyflow software. Secondly, the effects of ultrasonic strength on the die temperature and the drop of die pressure were studied experimentally by different head temperature and different screw speed. Finally, the relationship between die pressure and extrusion flow rate under different ultrasonic power were studied through experiments.

Dynamic effect in ultrasonic assisted micro-upsetting

NASA Astrophysics Data System (ADS)

Presz, Wojciech

2018-05-01

The use of ultrasonic assistance in microforming is becoming more and more popular. Mainly due to the beneficial effect of vibrations on the flow of plastic deformation reported already in the 50s of the last century. The influence is of two types: surface and volume. The surface effect is mainly the reduction of friction forces, and volumetric is the impact on the dislocation movement and even on phase transitions. The work focuses on the dynamic aspect of vibration assisted microforming. The use of ultrasonic vibrations at a frequency of 20 kHz and an amplitude of 16 µm, in the micro-upsetting process of an aluminum sample resulted in a high concentration of strain on both ends of the sample - at 14% of the height on both sides. There was observed (in relation to deformations of the sample without vibrations) 150-250% increase and a 50% decrease in strain in the center of the sample. At the same time, the larger deformations occurred from the impact side of the punch. Analyzing the course of forces of the upsetting process in the loading and unloading phase as well as the process of breaking glass samples, the spring deflections of key system elements and their natural frequencies were determined or calculated. Based on the determined or calculated parameters of the test stand, it was shown that during the micro-upsetting process the punch may detach from the sample surface and this is the main reason for the phenomena occurring. Detach of the punch is also the cause of the observed instability of the measurement of force, which should be considered unbelievable in such a situation.

Correlation of field seismic refraction data with 3-D laboratory ultrasonic sounding data during exploration of a dimension stone deposit

NASA Astrophysics Data System (ADS)

Přikryl, Richard; Vilhelm, Jan; Lokajíček, Tomáš; Pros, Zdeněk; Klíma, Karel

2004-05-01

Multidirectional field seismic refraction data have been combined with 3-D laboratory ultrasonic sounding data in a preliminary exploration of a new dimension stone deposit in the Czech Republic. Rock fabric was interpreted from a detailed laboratory analysis of a 3-D P-wave velocity pattern and can be classified as pronounced orthorhombic due to a complex tectonometamorphic history of the rock. The P-wave velocity pattern recorded from laboratory measurements can be satisfactorily correlated with the anisotropy of P-wave velocity data acquired from field seismic refraction data. Rock fabric anisotropy also contributes to the observed anisotropy of strength and static deformational properties.

Finger-Shaped GelForce: Sensor for Measuring Surface Traction Fields for Robotic Hand.

PubMed

Sato, K; Kamiyama, K; Kawakami, N; Tachi, S

2010-01-01

It is believed that the use of haptic sensors to measure the magnitude, direction, and distribution of a force will enable a robotic hand to perform dexterous operations. Therefore, we develop a new type of finger-shaped haptic sensor using GelForce technology. GelForce is a vision-based sensor that can be used to measure the distribution of force vectors, or surface traction fields. The simple structure of the GelForce enables us to develop a compact finger-shaped GelForce for the robotic hand. GelForce that is developed on the basis of an elastic theory can be used to calculate surface traction fields using a conversion equation. However, this conversion equation cannot be analytically solved when the elastic body of the sensor has a complicated shape such as the shape of a finger. Therefore, we propose an observational method and construct a prototype of the finger-shaped GelForce. By using this prototype, we evaluate the basic performance of the finger-shaped GelForce. Then, we conduct a field test by performing grasping operations using a robotic hand. The results of this test show that using the observational method, the finger-shaped GelForce can be successfully used in a robotic hand.

Development of glucose measurement system based on pulsed laser-induced ultrasonic method

NASA Astrophysics Data System (ADS)

Ren, Zhong; Wan, Bin; Liu, Guodong; Xiong, Zhihua

2016-09-01

In this study, a kind of glucose measurement system based on pulsed-induced ultrasonic technique was established. In this system, the lateral detection mode was used, the Nd: YAG pumped optical parametric oscillator (OPO) pulsed laser was used as the excitation source, the high sensitivity ultrasonic transducer was used as the signal detector to capture the photoacoustic signals of the glucose. In the experiments, the real-time photoacoustic signals of glucose aqueous solutions with different concentrations were captured by ultrasonic transducer and digital oscilloscope. Moreover, the photoacoustic peak-to-peak values were gotten in the wavelength range from 1300nm to 2300nm. The characteristic absorption wavelengths of glucose were determined via the difference spectral method and second derivative method. In addition, the prediction models of predicting glucose concentrations were established via the multivariable linear regression algorithm and the optimal prediction model of corresponding optimal wavelengths. Results showed that the performance of the glucose system based on the pulsed-induced ultrasonic detection method was feasible. Therefore, the measurement scheme and prediction model have some potential value in the fields of non-invasive monitoring the concentration of the glucose gradient, especially in the food safety and biomedical fields.

In-plane ultrasonic velocity measurement of longitudinal and shear waves in the machine direction with transducers in rotating wheels

DOEpatents

Hall, M.S.; Jackson, T.G.; Knerr, C.

1998-02-17

An improved system for measuring the velocity of ultrasonic signals within the plane of moving web-like materials, such as paper, paperboard and the like. In addition to velocity measurements of ultrasonic signals in the plane of the web in the MD and CD, one embodiment of the system in accordance with the present invention is also adapted to provide on-line indication of the polar specific stiffness of the moving web. In another embodiment of the invention, the velocity of ultrasonic signals in the plane of the web are measured by way of a plurality of ultrasonic transducers carried by synchronously driven wheels or cylinders, thus eliminating undue transducer wear due to any speed differences between the transducers and the web. In order to provide relatively constant contact force between the transducers and the webs, the transducers are mounted in a sensor housings which include a spring for biasing the transducer radially outwardly. The sensor housings are adapted to be easily and conveniently mounted to the carrier to provide a relatively constant contact force between the transducers and the moving web. 37 figs.

Study on the separation effect of high-speed ultrasonic vibration cutting.

PubMed

Zhang, Xiangyu; Sui, He; Zhang, Deyuan; Jiang, Xinggang

2018-07-01

High-speed ultrasonic vibration cutting (HUVC) has been proven to be significantly effective when turning Ti-6Al-4V alloy in recent researches. Despite of breaking through the cutting speed restriction of the ultrasonic vibration cutting (UVC) method, HUVC can also achieve the reduction of cutting force and the improvements in surface quality and cutting efficiency in the high-speed machining field. These benefits all result from the separation effect that occurs during the HUVC process. Despite the fact that the influences of vibration and cutting parameters have been discussed in previous researches, the separation analysis of HUVC should be conducted in detail in real cutting situations, and the tool geometry parameters should also be considered. In this paper, three situations are investigated in details: (1) cutting without negative transient clearance angle and without tool wear, (2) cutting with negative transient clearance angle and without tool wear, and (3) cutting with tool wear. And then, complete separation state, partial separation state and continuous cutting state are deduced according to real cutting processes. All the analysis about the above situations demonstrate that the tool-workpiece separation will take place only if appropriate cutting parameters, vibration parameters, and tool geometry parameters are set up. The best separation effect was obtained with a low feedrate and a phase shift approaching 180 degrees. Moreover, flank face interference resulted from the negative transient clearance angle and tool wear contributes to an improved separation effect that makes the workpiece and tool separate even at zero phase shift. Finally, axial and radial transient cutting force are firstly obtained to verify the separation effect of HUVC, and the cutting chips are collected to weigh the influence of flank face interference. Copyright © 2018 Elsevier B.V. All rights reserved.

Nanostructural reorganization of bacterial cellulose by ultrasonic treatment.

PubMed

Tischer, Paula C S Faria; Sierakowski, Maria Rita; Westfahl, Harry; Tischer, Cesar Augusto

2010-05-10

In this work, bacterial cellulose was subjected to a high-power ultrasonic treatment for different time intervals. The morphological analysis, scanning electron microscopy, and atomic force microscopy revealed that this treatment changed the width and height of the microfibrillar ribbons and roughness of their surface, originating films with new nanostructures. Differential thermal analysis showed a higher thermal stability for ultrasonicated samples with a pyrolysis onset temperature of 208 degrees C for native bacterial cellulose and 250 and 268 degrees C for the modified samples. The small-angle X-ray scattering experiments demonstrated that the treatment with ultrasound increased the thickness of the ribbons, while wide-angle X-ray scattering experiments demonstrated that the average crystallite dimension and the degree of crystallinity also increased. A model is proposed where the thicker ribbons and crystallites result from the fusion of neighboring ribbons due to cavitation effects.

Systematic Parameterization of Lignin for the CHARMM Force Field

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

Vermaas, Joshua; Petridis, Loukas; Beckham, Gregg

Plant cell walls have three primary components, cellulose, hemicellulose, and lignin, the latter of which is a recalcitrant, aromatic heteropolymer that provides structure to plants, water and nutrient transport through plant tissues, and a highly effective defense against pathogens. Overcoming the recalcitrance of lignin is key to effective biomass deconstruction, which would in turn enable the use of biomass as a feedstock for industrial processes. Our understanding of lignin structure in the plant cell wall is hampered by the limitations of the available lignin forcefields, which currently only account for a single linkage between lignins and lack explicit parameterization formore » emerging lignin structures both from natural variants and engineered lignin structures. Since polymerization of lignin occurs via radical intermediates, multiple C-O and C-C linkages have been isolated , and the current force field only represents a small subset of lignin the diverse lignin structures found in plants. In order to take into account the wide range of lignin polymerization chemistries, monomers and dimer combinations of C-, H-, G-, and S-lignins as well as with hydroxycinnamic acid linkages were subjected to extensive quantum mechanical calculations to establish target data from which to build a complete molecular mechanics force field tuned specifically for diverse lignins. This was carried out in a GPU-accelerated global optimization process, whereby all molecules were parameterized simultaneously using the same internal parameter set. By parameterizing lignin specifically, we are able to more accurately represent the interactions and conformations of lignin monomers and dimers relative to a general force field. This new force field will enables computational researchers to study the effects of different linkages on the structure of lignin, as well as construct more accurate plant cell wall models based on observed statistical distributions of lignin that differ

Secondary Structure of Rat and Human Amylin across Force Fields

PubMed Central

Hoffmann, Kyle Quynn; McGovern, Michael; Chiu, Chi-cheng; de Pablo, Juan J.

2015-01-01

The aggregation of human amylin has been strongly implicated in the progression of Type II diabetes. This 37-residue peptide forms a variety of secondary structures, including random coils, α-helices, and β-hairpins. The balance between these structures depends on the chemical environment, making amylin an ideal candidate to examine inherent biases in force fields. Rat amylin differs from human amylin by only 6 residues; however, it does not form fibrils. Therefore it provides a useful complement to human amylin in studies of the key events along the aggregation pathway. In this work, the free energy of rat and human amylin was determined as a function of α-helix and β-hairpin content for the Gromos96 53a6, OPLS-AA/L, CHARMM22/CMAP, CHARMM22*, Amberff99sb*-ILDN, and Amberff03w force fields using advanced sampling techniques, specifically bias exchange metadynamics. This work represents a first systematic attempt to evaluate the conformations and the corresponding free energy of a large, clinically relevant disordered peptide in solution across force fields. The NMR chemical shifts of rIAPP were calculated for each of the force fields using their respective free energy maps, allowing us to quantitatively assess their predictions. We show that the predicted distribution of secondary structures is sensitive to the choice of force-field: Gromos53a6 is biased towards β-hairpins, while CHARMM22/CMAP predicts structures that are overly α-helical. OPLS-AA/L favors disordered structures. Amberff99sb*-ILDN, AmberFF03w and CHARMM22* provide the balance between secondary structures that is most consistent with available experimental data. In contrast to previous reports, our findings suggest that the equilibrium conformations of human and rat amylin are remarkably similar, but that subtle differences arise in transient alpha-helical and beta-strand containing structures that the human peptide can more readily adopt. We hypothesize that these transient states enable

Secondary structure of rat and human amylin across force fields

DOE PAGES

Hoffmann, Kyle Quynn; McGovern, Michael; Chiu, Chi -cheng; ...

2015-07-29

The aggregation of human amylin has been strongly implicated in the progression of Type II diabetes. This 37-residue peptide forms a variety of secondary structures, including random coils, α-helices, and β-hairpins. The balance between these structures depends on the chemical environment, making amylin an ideal candidate to examine inherent biases in force fields. Rat amylin differs from human amylin by only 6 residues; however, it does not form fibrils. Therefore it provides a useful complement to human amylin in studies of the key events along the aggregation pathway. In this work, the free energy of rat and human amylin wasmore » determined as a function of α-helix and β-hairpin content for the Gromos96 53a6, OPLS-AA/L, CHARMM22/CMAP, CHARMM22*, Amberff99sb*-ILDN, and Amberff03w force fields using advanced sampling techniques, specifically bias exchange metadynamics. This work represents a first systematic attempt to evaluate the conformations and the corresponding free energy of a large, clinically relevant disordered peptide in solution across force fields. The NMR chemical shifts of rIAPP were calculated for each of the force fields using their respective free energy maps, allowing us to quantitatively assess their predictions. We show that the predicted distribution of secondary structures is sensitive to the choice of force-field: Gromos53a6 is biased towards β-hairpins, while CHARMM22/CMAP predicts structures that are overly α-helical. OPLS-AA/L favors disordered structures. Amberff99sb*-ILDN, AmberFF03w and CHARMM22* provide the balance between secondary structures that is most consistent with available experimental data. In contrast to previous reports, our findings suggest that the equilibrium conformations of human and rat amylin are remarkably similar, but that subtle differences arise in transient alpha-helical and beta-strand containing structures that the human peptide can more readily adopt. We hypothesize that these transient states

Hamiltonian of Mean Force and Dissipative Scalar Field Theory

NASA Astrophysics Data System (ADS)

Jafari, Marjan; Kheirandish, Fardin

2018-04-01

Quantum dynamics of a dissipative scalar field is investigated. Using the Hamiltonian of mean force, internal energy, free energy and entropy of a dissipative scalar field are obtained. It is shown that a dissipative massive scalar field can be considered as a free massive scalar field described by an effective mass and dispersion relation. Internal energy of the scalar field, as the subsystem, is found in the limit of low temperature and weak and strong couplings to an Ohimc heat bath. Correlation functions for thermal and coherent states are derived.

Opening mechanism of adenylate kinase can vary according to selected molecular dynamics force field

NASA Astrophysics Data System (ADS)

Unan, Hulya; Yildirim, Ahmet; Tekpinar, Mustafa

2015-07-01

Adenylate kinase is a widely used test case for many conformational transition studies. It performs a large conformational transition between closed and open conformations while performing its catalytic function. To understand conformational transition mechanism and impact of force field choice on E. Coli adenylate kinase, we performed all-atom explicit solvent classical molecular dynamics simulations starting from the closed conformation with four commonly used force fields, namely, Amber99, Charmm27, Gromos53a6, Opls-aa. We carried out 40 simulations, each one 200 ns. We analyzed completely 12 of them that show full conformational transition from the closed state to the open one. Our study shows that different force fields can have a bias toward different transition pathways. Transition time scales, frequency of conformational transitions, order of domain motions and free energy landscapes of each force field may also vary. In general, Amber99 and Charmm27 behave similarly while Gromos53a6 results have a resemblance to the Opls-aa force field results.

Novel modeling technique for the stator of traveling wave ultrasonic motors.

PubMed

Pons, José L; Rodríguez, Humberto; Ceres, Ramón; Calderón, Leopoldo

2003-11-01

Traveling wave ultrasonic motors (TWUM) are a promising type of piezoelectric transducers, which are based on the friction transmission of mechanical propagating waves. These waves are excited on the stator by using high Q piezoelectric ceramics. This article presents a modeling strategy, which allows for a quick and precise modal and forced analysis of the stator of TWUM. First-order shear deformation laminated plate theory is applied to annular subdomains (super-elements) of the stator. In addition to shear deformations, the model takes into account the effect of rotary inertia, the stiffness contribution of the teeth, and the linear varying thickness of the stator. Moreover, the formulation considers a more realistic function for the electric field inside the piezoelectric ceramic, i.e., a linear function, instead of the generally assumed constant electric field. The Ritz method is used to find an approximated solution for the dynamic equations. Finally, the modal response is obtained and compared against the results from classical simplified models and the finite element method. Thus, the high accuracy and short computation times of the novel strategy were demonstrated.

Extension of coarse-grained UNRES force field to treat carbon nanotubes.

PubMed

Sieradzan, Adam K; Mozolewska, Magdalena A

2018-04-26

Carbon nanotubes (CNTs) have recently received considerable attention because of their possible applications in various branches of nanotechnology. For their cogent application, knowledge of their interactions with biological macromolecules, especially proteins, is essential and computer simulations are very useful for such studies. Classical all-atom force fields limit simulation time scale and size of the systems significantly. Therefore, in this work, we implemented CNTs into the coarse-grained UNited RESidue (UNRES) force field. A CNT is represented as a rigid infinite-length cylinder which interacts with a protein through the Kihara potential. Energy conservation in microcanonical coarse-grained molecular dynamics simulations and temperature conservation in canonical simulations with UNRES containing the CNT component have been verified. Subsequently, studies of three proteins, bovine serum albumin (BSA), soybean peroxidase (SBP), and α-chymotrypsin (CT), with and without CNTs, were performed to examine the influence of CNTs on the structure and dynamics of these proteins. It was found that nanotubes bind to these proteins and influence their structure. Our results show that the UNRES force field can be used for further studies of CNT-protein systems with 3-4 order of magnitude larger timescale than using regular all-atom force fields. Graphical abstract Bovine serum albumin (BSA), soybean peroxidase (SBP), and α-chymotrypsin (CT), with and without CNTsᅟ.

Dissolution study of active pharmaceutical ingredients using molecular dynamics simulations with classical force fields

NASA Astrophysics Data System (ADS)

Greiner, Maximilian; Elts, Ekaterina; Schneider, Julian; Reuter, Karsten; Briesen, Heiko

2014-11-01

The CHARMM, general Amber and OPLS force fields are evaluated for their suitability in simulating the molecular dynamics of the dissolution of the hydrophobic, small-molecule active pharmaceutical ingredients aspirin, ibuprofen, and paracetamol in aqueous media. The force fields are evaluated by comparison with quantum chemical simulations or experimental references on the basis of the following capabilities: accurately representing intra- and intermolecular interactions, appropriately reproducing crystal lattice parameters, adequately describing thermodynamic properties, and the qualitative description of the dissolution behavior. To make this approach easily accessible for evaluating the dissolution properties of novel drug candidates in the early stage of drug development, the force field parameter files are generated using online resources such as the SWISS PARAM servers, and the software packages ACPYPE and Maestro. All force fields are found to reproduce the intermolecular interactions with a reasonable degree of accuracy, with the general Amber and CHARMM force fields showing the best agreement with quantum mechanical calculations. A stable crystal bulk structure is obtained for all model substances, except for ibuprofen, where the reproductions of the lattice parameters and observed crystal stability are considerably poor for all force fields. The heat of solution used to evaluate the solid-to-solution phase transitions is found to be in qualitative agreement with the experimental data for all combinations tested, with the results being quantitatively optimum for the general Amber and CHARMM force fields. For aspirin and paracetamol, stable crystal-water interfaces were obtained. The (100), (110), (011) and (001) interfaces of aspirin or paracetamol and water were simulated for each force field for 30 ns. Although generally expected as a rare event, in some of the simulations, dissolution is observed at 310 K and ambient pressure conditions.

Einstein's osmotic equilibrium of colloidal suspensions in conservative force fields

NASA Astrophysics Data System (ADS)

Fu, Jinxin; Ou-Yang, H. Daniel

2014-09-01

Predicted by Einstein in his 1905 paper on Brownian motion, colloidal particles in suspension reach osmotic equilibrium under gravity. The idea was demonstrated by J.B. Perrin to win Nobel Prize in Physics in 1926. We show Einstein's equation for osmotic equilibrium can be applied to colloids in a conservative force field generated by optical gradient forces. We measure the osmotic equation of state of 100nm Polystyrene latex particles in the presence of KCl salt and PEG polymer. We also obtain the osmotic compressibility, which is important for determining colloidal stability and the internal chemical potential, which is useful for predicting the phase transition of colloidal systems. This generalization allows for the use of any conservative force fields for systems ranging from colloidal systems to macromolecular solutions.

Lower sintering temperature of nanostructured dense ceramics compacted from dry nanopowders using powerful ultrasonic action

NASA Astrophysics Data System (ADS)

Khasanov, O.; Reichel, U.; Dvilis, E.; Khasanov, A.

2011-10-01

Nanostructured high dense zirconia ceramics have been sintered from dry nanopowders compacted by uniaxial pressing with simultaneous powerful ultrasonic action (PUA). Powerful ultrasound with frequency of 21 kHz was supplied from ultrasonic generator to the mold, which was the ultrasonic wave-guide. Previously the mold was filled by non-agglomerated zirconia nanopowder having average particle size of 40 nm. Any binders or plasticizers were excluded at nanopowder processing. Compaction pressure was 240 MPa, power of ultrasonic generator at PUA was 1 kW and 3 kW. The fully dense zirconia ceramics has been sintered at 1345°C and high-dense ceramics with a density of 99.1%, the most grains of which had the sizes Dgr <= 200 nm, has been sintered at low sintering temperature (1325°C). Applied approach prevents essential grain growth owing to uniform packing of nanoparticles under vibrating PU-action at pressing, which provides the friction forces control during dry nanopowder compaction without contaminating binders or plasticizers.

Accurate van der Waals force field for gas adsorption in porous materials.

PubMed

Sun, Lei; Yang, Li; Zhang, Ya-Dong; Shi, Qi; Lu, Rui-Feng; Deng, Wei-Qiao

2017-09-05

An accurate van der Waals force field (VDW FF) was derived from highly precise quantum mechanical (QM) calculations. Small molecular clusters were used to explore van der Waals interactions between gas molecules and porous materials. The parameters of the accurate van der Waals force field were determined by QM calculations. To validate the force field, the prediction results from the VDW FF were compared with standard FFs, such as UFF, Dreiding, Pcff, and Compass. The results from the VDW FF were in excellent agreement with the experimental measurements. This force field can be applied to the prediction of the gas density (H 2 , CO 2 , C 2 H 4 , CH 4 , N 2 , O 2 ) and adsorption performance inside porous materials, such as covalent organic frameworks (COFs), zeolites and metal organic frameworks (MOFs), consisting of H, B, N, C, O, S, Si, Al, Zn, Mg, Ni, and Co. This work provides a solid basis for studying gas adsorption in porous materials. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Computational Investigation of Helical Traveling Wave Tube Transverse RF Field Forces

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Dayton, James A.

1998-01-01

In a previous study using a fully three-dimensional (3D) helical slow-wave circuit cold- test model it was found, contrary to classical helical circuit analyses, that transverse FF electric fields have significant amplitudes compared with the longitudinal component. The RF fields obtained using this helical cold-test model have been scaled to correspond to those of an actual TWT. At the output of the tube, RF field forces reach 61%, 26% and 132% for radial, azimuthal and longitudinal components, respectively, compared to radial space charge forces indicating the importance of considering them in the design of electron beam focusing.

Nonequilibrium forces between atoms and dielectrics mediated by a quantum field

NASA Astrophysics Data System (ADS)

Behunin, Ryan O.; Hu, Bei-Lok

2011-07-01

In this paper we give a first principles microphysics derivation of the nonequilibrium forces between an atom, treated as a three-dimensional harmonic oscillator, and a bulk dielectric medium modeled as a continuous lattice of oscillators coupled to a reservoir. We assume no direct interaction between the atom and the medium but there exist mutual influences transmitted via a common electromagnetic field. By employing concepts and techniques of open quantum systems we introduce coarse-graining to the physical variables—the medium, the quantum field, and the atom’s internal degrees of freedom, in that order—to extract their averaged effects from the lowest tier progressively to the top tier. The first tier of coarse-graining provides the averaged effect of the medium upon the field, quantified by a complex permittivity (in the frequency domain) describing the response of the dielectric to the field in addition to its back action on the field through a stochastic forcing term. The last tier of coarse-graining over the atom’s internal degrees of freedom results in an equation of motion for the atom’s center of mass from which we can derive the force on the atom. Our nonequilibrium formulation provides a fully dynamical description of the atom’s motion including back-action effects from all other relevant variables concerned. In the long-time limit we recover the known results for the atom-dielectric force when the combined system is in equilibrium or in a nonequilibrium stationary state.

U.S. Field Artillery after World War I: Modernizing the Force While Downsizing

DTIC Science & Technology

2014-06-13

weapons, and tactics. It convened several boards to assess the requirements for an effective field artillery force, studying the materiel and......weapons, and tactics. It convened several boards to assess the requirements for an effective field artillery force, studying the materiel and

ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins

PubMed Central

2015-01-01

We present the ff14ipq force field, implementing the previously published IPolQ charge set for simulations of complete proteins. Minor modifications to the charge derivation scheme and van der Waals interactions between polar atoms are introduced. Torsion parameters are developed through a generational learning approach, based on gas-phase MP2/cc-pVTZ single-point energies computed of structures optimized by the force field itself rather than the quantum benchmark. In this manner, we sacrifice information about the true quantum minima in order to ensure that the force field maintains optimal agreement with the MP2/cc-pVTZ benchmark for the ensembles it will actually produce in simulations. A means of making the gas-phase torsion parameters compatible with solution-phase IPolQ charges is presented. The ff14ipq model is an alternative to ff99SB and other Amber force fields for protein simulations in programs that accommodate pair-specific Lennard–Jones combining rules. The force field gives strong performance on α-helical and β-sheet oligopeptides as well as globular proteins over microsecond time scale simulations, although it has not yet been tested in conjunction with lipid and nucleic acid models. We show how our choices in parameter development influence the resulting force field and how other choices that may have appeared reasonable would actually have led to poorer results. The tools we developed may also aid in the development of future fixed-charge and even polarizable biomolecular force fields. PMID:25328495

ULTRASONIC NEUTRON DOSIMETER

DOEpatents

Truell, R.; de Klerk, J.; Levy, P.W.

1960-02-23

A neutron dosimeter is described which utilizes ultrasonic waves in the megacycle region for determination of the extent of neutron damage in a borosilicate glass through ultrasonic wave velocity and attenuation measurements before and after damage.

Ultrasonic Imaging System

NASA Technical Reports Server (NTRS)

Youngquist, Robert C. (Inventor); Moerk, Steven (Inventor)

1999-01-01

An imaging system is described which can be used to either passively search for sources of ultrasonics or as an active phase imaging system. which can image fires. gas leaks, or air temperature gradients. This system uses an array of ultrasonic receivers coupled to an ultrasound collector or lens to provide an electronic image of the ultrasound intensity in a selected angular region of space. A system is described which includes a video camera to provide a visual reference to a region being examined for ultrasonic signals.

Foldable Instrumented Bits for Ultrasonic/Sonic Penetrators

NASA Technical Reports Server (NTRS)

Bar-Cohen, Yoseph; Badescu, Mircea; Iskenderian, Theodore; Sherrit, Stewart; Bao, Xiaoqi; Linderman, Randel

2010-01-01

Long tool bits are undergoing development that can be stowed compactly until used as rock- or ground-penetrating probes actuated by ultrasonic/sonic mechanisms. These bits are designed to be folded or rolled into compact form for transport to exploration sites, where they are to be connected to their ultrasonic/ sonic actuation mechanisms and unfolded or unrolled to their full lengths for penetrating ground or rock to relatively large depths. These bits can be designed to acquire rock or soil samples and/or to be equipped with sensors for measuring properties of rock or soil in situ. These bits can also be designed to be withdrawn from the ground, restowed, and transported for reuse at different exploration sites. Apparatuses based on the concept of a probe actuated by an ultrasonic/sonic mechanism have been described in numerous prior NASA Tech Briefs articles, the most recent and relevant being "Ultrasonic/ Sonic Impacting Penetrators" (NPO-41666) NASA Tech Briefs, Vol. 32, No. 4 (April 2008), page 58. All of those apparatuses are variations on the basic theme of the earliest ones, denoted ultrasonic/sonic drill corers (USDCs). To recapitulate: An apparatus of this type includes a lightweight, low-power, piezoelectrically driven actuator in which ultrasonic and sonic vibrations are generated and coupled to a tool bit. The combination of ultrasonic and sonic vibrations gives rise to a hammering action (and a resulting chiseling action at the tip of the tool bit) that is more effective for drilling than is the microhammering action of ultrasonic vibrations alone. The hammering and chiseling actions are so effective that the size of the axial force needed to make the tool bit advance into soil, rock, or another material of interest is much smaller than in ordinary twist drilling, ordinary hammering, or ordinary steady pushing. Examples of properties that could be measured by use of an instrumented tool bit include electrical conductivity, permittivity, magnetic

Polarizable Multipole-Based Force Field for Dimethyl and Trimethyl Phosphate

PubMed Central

2015-01-01

Phosphate groups are commonly observed in biomolecules such as nucleic acids and lipids. Due to their highly charged and polarizable nature, modeling these compounds with classical force fields is challenging. Using quantum mechanical studies and liquid-phase simulations, the AMOEBA force field for dimethyl phosphate (DMP) ion and trimethyl phosphate (TMP) has been developed. On the basis of ab initio calculations, it was found that ion binding and the solution environment significantly impact both the molecular geometry and the energy differences between conformations. Atomic multipole moments are derived from MP2/cc-pVQZ calculations of methyl phosphates at several conformations with their chemical environments taken into account. Many-body polarization is handled via a Thole-style induction model using distributed atomic polarizabilities. van der Waals parameters of phosphate and oxygen atoms are determined by fitting to the quantum mechanical interaction energy curves for water with DMP or TMP. Additional stretch-torsion and angle-torsion coupling terms were introduced in order to capture asymmetry in P–O bond lengths and angles due to the generalized anomeric effect. The resulting force field for DMP and TMP is able to accurately describe both the molecular structure and conformational energy surface, including bond and angle variations with conformation, as well as interaction of both species with water and metal ions. The force field was further validated for TMP in the condensed phase by computing hydration free energy, liquid density, and heat of vaporization. The polarization behavior between liquid TMP and TMP in water is drastically different. PMID:26574325

A universal strategy for the creation of machine learning-based atomistic force fields

NASA Astrophysics Data System (ADS)

Huan, Tran Doan; Batra, Rohit; Chapman, James; Krishnan, Sridevi; Chen, Lihua; Ramprasad, Rampi

2017-09-01

Emerging machine learning (ML)-based approaches provide powerful and novel tools to study a variety of physical and chemical problems. In this contribution, we outline a universal strategy to create ML-based atomistic force fields, which can be used to perform high-fidelity molecular dynamics simulations. This scheme involves (1) preparing a big reference dataset of atomic environments and forces with sufficiently low noise, e.g., using density functional theory or higher-level methods, (2) utilizing a generalizable class of structural fingerprints for representing atomic environments, (3) optimally selecting diverse and non-redundant training datasets from the reference data, and (4) proposing various learning approaches to predict atomic forces directly (and rapidly) from atomic configurations. From the atomistic forces, accurate potential energies can then be obtained by appropriate integration along a reaction coordinate or along a molecular dynamics trajectory. Based on this strategy, we have created model ML force fields for six elemental bulk solids, including Al, Cu, Ti, W, Si, and C, and show that all of them can reach chemical accuracy. The proposed procedure is general and universal, in that it can potentially be used to generate ML force fields for any material using the same unified workflow with little human intervention. Moreover, the force fields can be systematically improved by adding new training data progressively to represent atomic environments not encountered previously.

Mapping the Drude polarizable force field onto a multipole and induced dipole model

NASA Astrophysics Data System (ADS)

Huang, Jing; Simmonett, Andrew C.; Pickard, Frank C.; MacKerell, Alexander D.; Brooks, Bernard R.

2017-10-01

The induced dipole and the classical Drude oscillator represent two major approaches for the explicit inclusion of electronic polarizability into force field-based molecular modeling and simulations. In this work, we explore the equivalency of these two models by comparing condensed phase properties computed using the Drude force field and a multipole and induced dipole (MPID) model. Presented is an approach to map the electrostatic model optimized in the context of the Drude force field onto the MPID model. Condensed phase simulations on water and 15 small model compounds show that without any reparametrization, the MPID model yields properties similar to the Drude force field with both models yielding satisfactory reproduction of a range of experimental values and quantum mechanical data. Our results illustrate that the Drude oscillator model and the point induced dipole model are different representations of essentially the same physical model. However, results indicate the presence of small differences between the use of atomic multipoles and off-center charge sites. Additionally, results on the use of dispersion particle mesh Ewald further support its utility for treating long-range Lennard Jones dispersion contributions in the context of polarizable force fields. The main motivation in demonstrating the transferability of parameters between the Drude and MPID models is that the more than 15 years of development of the Drude polarizable force field can now be used with MPID formalism without the need for dual-thermostat integrators nor self-consistent iterations. This opens up a wide range of new methodological opportunities for polarizable models.

Particles with nonlinear electric response: Suppressing van der Waals forces by an external field.

PubMed

Soo, Heino; Dean, David S; Krüger, Matthias

2017-01-01

We study the classical thermal component of Casimir, or van der Waals, forces between point particles with highly anharmonic dipole Hamiltonians when they are subjected to an external electric field. Using a model for which the individual dipole moments saturate in a strong field (a model that mimics the charges in a neutral, perfectly conducting sphere), we find that the resulting Casimir force depends strongly on the strength of the field, as demonstrated by analytical results. For a certain angle between the external field and center-to-center axis, the fluctuation force can be tuned and suppressed to arbitrarily small values. We compare the forces between these particles with those between particles with harmonic Hamiltonians and also provide a simple formula for asymptotically large external fields, which we expect to be generally valid for the case of saturating dipole moments.

Ultrasonics in Dentistry

NASA Astrophysics Data System (ADS)

Walmsley, A. D.

Ultrasonic instruments have been used in dentistry since the 1950's. Initially they were used to cut teeth but very quickly they became established as an ultrasonic scaler which was used to remove deposits from the hard tissues of the tooth. This enabled the soft tissues around the tooth to return to health. The ultrasonic vibrations are generated in a thin metal probe and it is the working tip that is the active component of the instrument. Scanning laser vibrometry has shown that there is much variability in their movement which is related to the shape and cross sectional shape of the probe. The working instrument will also generate cavitation and microstreaming in the associated cooling water. This can be mapped out along the length of the instrument indicating which are the active areas. Ultrasonics has also found use for cleaning often inaccessible or different surfaces including root canal treatment and dental titanium implants. The use of ultrasonics to cut bone during different surgical techniques shows considerable promise. More research is indicated to determine how to maximize the efficiency of such instruments so that they are more clinically effective.

Ultrasonic Polishing

NASA Technical Reports Server (NTRS)

Gilmore, Randy

1993-01-01

The ultrasonic polishing process makes use of the high-frequency (ultrasonic) vibrations of an abradable tool which automatically conforms to the work piece and an abrasive slurry to finish surfaces and edges on complex, highly detailed, close tolerance cavities in materials from beryllium copper to carbide. Applications range from critical deburring of guidance system components to removing EDM recast layers from aircraft engine components to polishing molds for forming carbide cutting tool inserts or injection molding plastics. A variety of materials including tool steels, carbides, and even ceramics can be successfully processed. Since the abradable tool automatically conforms to the work piece geometry, the ultrasonic finishing method described offers a number of important benefits in finishing components with complex geometries.

Experimental and theoretical studies on the movements of two bubbles in an acoustic standing wave field.

PubMed

Jiao, Junjie; He, Yong; Leong, Thomas; Kentish, Sandra E; Ashokkumar, Muthupandian; Manasseh, Richard; Lee, Judy

2013-10-17

When subjected to an ultrasonic standing-wave field, cavitation bubbles smaller than the resonance size migrate to the pressure antinodes. As bubbles approach the antinode, they also move toward each other and either form a cluster or coalesce. In this study, the translational trajectory of two bubbles moving toward each other in an ultrasonic standing wave at 22.4 kHz was observed using an imaging system with a high-speed video camera. This allowed the speed of the approaching bubbles to be measured for much closer distances than those reported in the prior literature. The trajectory of two approaching bubbles was modeled using coupled equations of radial and translational motions, showing similar trends with the experimental results. We also indirectly measured the secondary Bjerknes force by monitoring the acceleration when bubbles are close to each other under different acoustic pressure amplitudes. Bubbles begin to accelerate toward each other as the distance between them gets shorter, and this acceleration increases with increasing acoustic pressure. The current study provides experimental data that validates the theory on the movement of bubbles and forces acting between them in an acoustic field that will be useful in understanding bubble coalescence in an acoustic field.

Ultrasonic/Sonic Rotary-Hammer Drills

NASA Technical Reports Server (NTRS)

Badescu, Mircea; Sherrit, Stewart; Bar-Cohen, Yoseph; Bao, Xiaoqi; Kassab, Steve

2010-01-01

Ultrasonic/sonic rotary-hammer drill (USRoHD) is a recent addition to the collection of apparatuses based on ultrasonic/sonic drill corer (USDC). As described below, the USRoHD has several features, not present in a basic USDC, that increase efficiency and provide some redundancy against partial failure. USDCs and related apparatuses were conceived for boring into, and/or acquiring samples of, rock or other hard, brittle materials of geological interest. They have been described in numerous previous NASA Tech Briefs articles. To recapitulate: A USDC can be characterized as a lightweight, lowpower, piezoelectrically driven jackhammer in which ultrasonic and sonic vibrations are generated and coupled to a tool bit. A basic USDC includes a piezoelectric stack, an ultrasonic transducer horn connected to the stack, a free mass ( free in the sense that it can bounce axially a short distance between hard stops on the horn and the bit), and a tool bit. The piezoelectric stack creates ultrasonic vibrations that are mechanically amplified by the horn. The bouncing of the free mass between the hard stops generates the sonic vibrations. The combination of ultrasonic and sonic vibrations gives rise to a hammering action (and a resulting chiseling action at the tip of the tool bit) that is more effective for drilling than is the microhammering action of ultrasonic vibrations alone. The hammering and chiseling actions are so effective that unlike in conventional twist drilling, little applied axial force is needed to make the apparatus advance into the material of interest. There are numerous potential applications for USDCs and related apparatuses in geological exploration on Earth and on remote planets. In early USDC experiments, it was observed that accumulation of cuttings in a drilled hole causes the rate of penetration of the USDC to decrease steeply with depth, and that the rate of penetration can be increased by removing the cuttings. The USRoHD concept provides for

Methane Adsorption in Zr-Based MOFs: Comparison and Critical Evaluation of Force Fields

PubMed Central

2017-01-01

The search for nanoporous materials that are highly performing for gas storage and separation is one of the contemporary challenges in material design. The computational tools to aid these experimental efforts are widely available, and adsorption isotherms are routinely computed for huge sets of (hypothetical) frameworks. Clearly the computational results depend on the interactions between the adsorbed species and the adsorbent, which are commonly described using force fields. In this paper, an extensive comparison and in-depth investigation of several force fields from literature is reported for the case of methane adsorption in the Zr-based Metal–Organic Frameworks UiO-66, UiO-67, DUT-52, NU-1000, and MOF-808. Significant quantitative differences in the computed uptake are observed when comparing different force fields, but most qualitative features are common which suggests some predictive power of the simulations when it comes to these properties. More insight into the host–guest interactions is obtained by benchmarking the force fields with an extensive number of ab initio computed single molecule interaction energies. This analysis at the molecular level reveals that especially ab initio derived force fields perform well in reproducing the ab initio interaction energies. Finally, the high sensitivity of uptake predictions on the underlying potential energy surface is explored. PMID:29170687

Validation and Application of the ReaxFF Reactive Force Field to Hydrocarbon Oxidation Kinetics

DTIC Science & Technology

2016-06-23

AFRL-AFOSR-VA-TR-2016-0278 Validation and application of the ReaxFF reactive force field to hydrocarbon oxidation kinetics Adrianus Van Duin...application of the ReaxFF reactive force field to hydrocarbon oxidation kinetics 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA9550-14-1-0355 5c.  PROGRAM...Chenoweth Dec14 Validation and application of the ReaxFF reactive force field to hydrocarbon oxidation kinetics DISTRIBUTION A: Distribution approved for

Split-mode ultrasonic transducer.

PubMed

Ostrovskii, Igor; Cremaldi, Lucien

2013-08-01

A split-mode ultrasonic transducer is investigated in both theory and experiment. This transducer is a two-dimensional structure of periodically poled domains in a ferroelectric wafer with free surfaces. The acoustic vibrations are excited by a radio frequency electric current applied along the length of the wafer, which allows the basal-plane surfaces to be free of metal coatings and thus ready for further biomedical applications. A specific physical property of this transducer consists of the multiple acousto-electric resonances, which occur due to an acoustic mode split when the acoustic half-wavelength is equal to the domain length. Possible applications include ultrasonic generation and detection at the micro-scale, intravascular sonification and visualization, ultrasound therapy of localized small areas such as the eye, biomedical applications for cell cultures, and traditional nondestructive testing including bones and tissues. A potential use of a non-metallized wafer is a therapeutic application with double action that is both ultrasound itself and an electric field over the wafer. The experimental measurements and theoretical calculations are in good agreement.

Design of advanced ultrasonic transducers for welding devices.

PubMed

Parrini, L

2001-11-01

A new high frequency ultrasonic transducer has been conceived, designed, prototyped, and tested. In the design phase, an advanced approach was used and established. The method is based on an initial design estimate obtained with finite element method (FEM) simulations. The simulated ultrasonic transducers and resonators are then built and characterized experimentally through laser interferometry and electrical resonance spectra. The comparison of simulation results with experimental data allows the parameters of FEM models to be adjusted and optimized. The achieved FEM simulations exhibit a remarkably high predictive potential and allow full control of the vibration behavior of the transducer. The new transducer is mounted on a wire bonder with a flange whose special geometry was calculated by means of FEM simulations. This flange allows the transducer to be attached on the wire bonder, not only in longitudinal nodes, but also in radial nodes of the ultrasonic field excited in the horn. This leads to a total decoupling of the transducer to the wire bonder, which has not been achieved so far. The new approach to mount ultrasonic transducers on a welding device is of major importance, not only for wire bonding, but also for all high power ultrasound applications and has been patented.

Ultrasonic search wheel probe

DOEpatents

Mikesell, Charles R.

1978-01-01

A device is provided for reducing internal reflections from the tire of an ultrasonic search wheel probe or from within the material being examined. The device includes a liner with an anechoic chamber within which is an ultrasonic transducer. The liner is positioned within the wheel and includes an aperture through which the ultrasonic sound from the transducer is directed.

The calculation of force-free fields from discrete flux distributions. [for chromospheric magnetic fields

NASA Technical Reports Server (NTRS)

Sheeley, N. R., Jr.; Harvey, J. W.

1975-01-01

This paper presents particularly simple mathematical formulas for the calculation of force-free fields of constant alpha from the distribution of discrete sources on a flat surface. The advantage of these formulas lies in their physical simplicity and the fact that they can be easily used in practice to calculate the fields. The disadvantage is that they are limited to fields of 'sufficiently small alpha'. These formulas may be useful in the study of chromospheric magnetic fields by the comparison of high-resolution H-alpha photographs and photospheric magnetograms.

Dynamics of cavitation clouds within a high-intensity focused ultrasonic beam

NASA Astrophysics Data System (ADS)

Lu, Yuan; Katz, Joseph; Prosperetti, Andrea

2013-07-01

In this experimental study, we generate a 500 kHz high-intensity focused ultrasonic beam, with pressure amplitude in the focal zone of up to 1.9 MPa, in initially quiescent water. The resulting pressure field and behavior of the cavitation bubbles are measured using high-speed digital in-line holography. Variations in the water density and refractive index are used for determining the spatial distribution of the acoustic pressure nonintrusively. Several cavitation phenomena occur within the acoustic partially standing wave caused by the reflection of sound from the walls of the test chamber. At all sound levels, bubbly layers form in the periphery of the focal zone in the pressure nodes of the partial standing wave. At high sound levels, clouds of vapor microbubbles are generated and migrate in the direction of the acoustic beam. Both the cloud size and velocity vary periodically, with the diameter peaking at the pressure nodes and velocity at the antinodes. A simple model involving linearized bubble dynamics, Bjerknes forces, sound attenuation by the cloud, added mass, and drag is used to predict the periodic velocity of the bubble cloud, as well as qualitatively explain the causes for the variations in the cloud size. The analysis shows that the primary Bjerknes force and drag dominate the cloud motion, and suggests that the secondary Bjerknes force causes the oscillations in the cloud size.

Artificial Intelligence Assists Ultrasonic Inspection

NASA Technical Reports Server (NTRS)

Schaefer, Lloyd A.; Willenberg, James D.

1992-01-01

Subtle indications of flaws extracted from ultrasonic waveforms. Ultrasonic-inspection system uses artificial intelligence to help in identification of hidden flaws in electron-beam-welded castings. System involves application of flaw-classification logic to analysis of ultrasonic waveforms.

Weber's gravitational force as static weak field approximation

NASA Astrophysics Data System (ADS)

Tiandho, Yuant

2016-02-01

Weber's gravitational force (WGF) is one of gravitational model that can accommodate a non-static system because it depends not only on the distance but also on the velocity and the acceleration. Unlike Newton's law of gravitation, WGF can predict the anomalous of Mercury and gravitational bending of light near massive object very well. Then, some researchers use WGF as an alternative model of gravitation and propose a new mechanics theory namely the relational mechanics theory. However, currently we have known that the theory of general relativity which proposed by Einstein can explain gravity with very accurate. Through the static weak field approximation for the non-relativistic object, we also have known that the theory of general relativity will reduce to Newton's law of gravity. In this work, we expand the static weak field approximation that compatible with relativistic object and we obtain a force equation which correspond to WGF. Therefore, WGF is more precise than Newton's gravitational law. The static-weak gravitational field that we used is a solution of the Einstein's equation in the vacuum that satisfy the linear field approximation. The expression of WGF with ξ = 1 and satisfy the requirement of energy conservation are obtained after resolving the geodesic equation. By this result, we can conclude that WGF can be derived from the general relativity.

Direct laser writing of polymer micro-ring resonator ultrasonic sensors

NASA Astrophysics Data System (ADS)

Wei, Heming; Krishnaswamy, Sridhar

2017-04-01

With the development of photoacoustic technology in recent years, ultrasound-related sensors play a vital role in a number of areas ranging from scientific research to nondestructive testing. Compared with the traditional PZT transducer as ultrasonic sensors, novel ultrasonic sensors based on optical methods such as micro-ring resonators have gained increasing attention. The total internal reflection of the light along the cavity results in light propagating in microcavities as whispering gallery modes (WGMs), which are extremely sensitive to change in the radius and refractive index of the cavity induced by ultrasound strain field. In this work, we present a polymer optical micro-ring resonator based ultrasonic sensor fabricated by direct laser writing optical lithography. The design consists of a single micro-ring and a straight tapered waveguide that can be directly coupled by single mode fibers (SMFs). The design and fabrication of the printed polymer resonator have been optimized to provide broad bandwidth and high optical quality factor to ensure high detection sensitivity. The experiments demonstrate the potential of the polymer micro-ring resonator to works as a high-performance ultrasonic sensor.

Error-eliminating rapid ultrasonic firing

DOEpatents

Borenstein, Johann; Koren, Yoram

1993-08-24

A system for producing reliable navigation data for a mobile vehicle, such as a robot, combines multiple range samples to increase the "confidence" of the algorithm in the existence of an obstacle. At higher vehicle speed, it is crucial to sample each sensor quickly and repeatedly to gather multiple samples in time to avoid a collision. Erroneous data is rejected by delaying the issuance of an ultrasonic energy pulse by a predetermined wait-period, which may be different during alternate ultrasonic firing cycles. Consecutive readings are compared, and the corresponding data is rejected if the readings differ by more than a predetermined amount. The rejection rate for the data is monitored and the operating speed of the navigation system is reduced if the data rejection rate is increased. This is useful to distinguish and eliminate noise from the data which truly represents the existence of an article in the field of operation of the vehicle.

Error-eliminating rapid ultrasonic firing

DOEpatents

Borenstein, J.; Koren, Y.

1993-08-24

A system for producing reliable navigation data for a mobile vehicle, such as a robot, combines multiple range samples to increase the confidence'' of the algorithm in the existence of an obstacle. At higher vehicle speed, it is crucial to sample each sensor quickly and repeatedly to gather multiple samples in time to avoid a collision. Erroneous data is rejected by delaying the issuance of an ultrasonic energy pulse by a predetermined wait-period, which may be different during alternate ultrasonic firing cycles. Consecutive readings are compared, and the corresponding data is rejected if the readings differ by more than a predetermined amount. The rejection rate for the data is monitored and the operating speed of the navigation system is reduced if the data rejection rate is increased. This is useful to distinguish and eliminate noise from the data which truly represents the existence of an article in the field of operation of the vehicle.

Ultrasonic/Sonic Mechanisms for Drilling and Coring

NASA Technical Reports Server (NTRS)

Bar-Cohen, Yoseph; Sherrit, Stewart; Dolgin, Benjamin; Askin, Steve; Peterson, Thomas M.; Bell, Bill; Kroh, Jason; Pal, Dharmendra; Krahe, Ron; Du, Shu

2003-01-01

Two apparatuses now under development are intended to perform a variety of deep-drilling, coring, and sensing functions for subsurface exploration of rock and soil. These are modified versions of the apparatuses described in Ultrasonic/Sonic Drill/Corers With Integrated Sensors (NPO-20856), NASA Tech Briefs, Vol. 25, No. 1 (January 2001), page 38. In comparison with the drilling equipment traditionally used in such exploration, these apparatuses weigh less and consume less power. Moreover, unlike traditional drills and corers, these apparatuses function without need for large externally applied axial forces.

Search for multipolar instability in URu2Si2 studied by ultrasonic measurements under pulsed magnetic field

NASA Astrophysics Data System (ADS)

Yanagisawa, T.; Mombetsu, S.; Hidaka, H.; Amitsuka, H.; Cong, P. T.; Yasin, S.; Zherlitsyn, S.; Wosnitza, J.; Huang, K.; Kanchanavatee, N.; Janoschek, M.; Maple, M. B.; Aoki, D.

2018-04-01

The elastic properties of URu2Si2 in the high magnetic field region above 40 T, over a wide temperature range from 1.5 to 120 K, were systematically investigated by means of high-frequency ultrasonic measurements. The investigation was performed at high magnetic fields to better investigate the innate bare 5 f -electron properties, since the unidentified electronic thermodynamic phase of unknown origin, the so-called "hidden order" (HO), and associated hybridization of conduction and f electrons (c -f hybridization) are suppressed at high magnetic fields. From the three different transverse modes we find contrasting results; both the Γ4(B2 g) and Γ5(Eg) symmetry modes C66 and C44 show elastic softening that is enhanced above 30 T, while the characteristic softening of the Γ3(B1 g) symmetry mode (C11-C12)/2 is suppressed in high magnetic fields. These results underscore the presence of a hybridization-driven Γ3(B1 g) lattice instability in URu2Si2 . However, the results from this work cannot be explained by using existing crystalline electric field schemes applied to the quadrupolar susceptibility in a local 5 f2 configuration. Instead, we present an analysis based on a band Jahn-Teller effect.

Focal Length Controllable Ultrasonic Transducer Using Bimorph-Type Bending Actuator

NASA Astrophysics Data System (ADS)

Chae, Min-Ku; Kim, Moo-Joon; Ha, Kang-Lyeol; Lee, Chai-Bong

2003-05-01

Using a bimorph-type bending actuator, we propose a new method for controlling the focal length of a transducer by electric DC voltage. We designed two focal length controllable ultrasonic transducers with actuators, a line-focus and a point-focus transducer. The polyvinylidene fluoride (PVDF) piezoelectric type polymer film is used for transmitting and receiving of ultrasonic signals. Using the new method, it is confirmed by investigation of the underwater acoustic field that the focal length can be controlled to within 10% of the radius of the transducer curvature.

Dynamic characteristics of electric discharge in liquid under ultrasonic cavitation

NASA Astrophysics Data System (ADS)

Bulychev, N. A.; Kazaryan, M. A.; Averyushkin, A. S.; Kirichenko, M. N.; Zakharyan, Robert; Chernov, A. A.

2018-04-01

The characteristics of electrical discharges in liquid media under the influence of intense ultrasonic vibrations are investigated and the difference in dynamic characteristics of discharges before cavitation and after cavitation begins. The experiments carried out during this work made it possible to establish that in a liquid in an intense ultrasonic field above the cavitation threshold there exists a special form of an electric discharge characterized by volumetric luminescence in the entire space between the electrodes and the current-voltage characteristic inherent in an anomalous glow discharge in a gas.

Ultrasonic imaging for concrete infrastructure condition assessment and quality assurance.

DOT National Transportation Integrated Search

2017-04-01

This report describes work on laboratory and field performance reviews of an ultrasonic shear wave imaging device called MIRA : for application to plain and reinforced concrete infrastructure components. Potential applications investigated included b...

Building machine learning force fields for nanoclusters

NASA Astrophysics Data System (ADS)

Zeni, Claudio; Rossi, Kevin; Glielmo, Aldo; Fekete, Ádám; Gaston, Nicola; Baletto, Francesca; De Vita, Alessandro

2018-06-01

We assess Gaussian process (GP) regression as a technique to model interatomic forces in metal nanoclusters by analyzing the performance of 2-body, 3-body, and many-body kernel functions on a set of 19-atom Ni cluster structures. We find that 2-body GP kernels fail to provide faithful force estimates, despite succeeding in bulk Ni systems. However, both 3- and many-body kernels predict forces within an ˜0.1 eV/Å average error even for small training datasets and achieve high accuracy even on out-of-sample, high temperature structures. While training and testing on the same structure always provide satisfactory accuracy, cross-testing on dissimilar structures leads to higher prediction errors, posing an extrapolation problem. This can be cured using heterogeneous training on databases that contain more than one structure, which results in a good trade-off between versatility and overall accuracy. Starting from a 3-body kernel trained this way, we build an efficient non-parametric 3-body force field that allows accurate prediction of structural properties at finite temperatures, following a newly developed scheme [A. Glielmo et al., Phys. Rev. B 95, 214302 (2017)]. We use this to assess the thermal stability of Ni19 nanoclusters at a fractional cost of full ab initio calculations.

Method and means of transmitting and receiving broad-band unipolar, ultrasonic pulses for ultrasonic inspection

DOEpatents

Thompson, Donald O.; Hsu, David K.

1993-12-14

The invention includes a means and method for transmitting and receiving broadband, unipolar, ultrasonic pulses for ultrasonic inspection. The method comprises generating a generally unipolar ultrasonic stress pulse from a low impedance voltage pulse transmitter along a low impedance electrical pathway to an ultrasonic transducer, and receiving the reflected echo of the pulse by the transducer, converting it to a voltage signal, and passing it through a high impedance electrical pathway to an output. The means utilizes electrical components according to the method. The means and method allow a single transducer to be used in a pulse/echo mode, and facilitates alternatingly transmitting and receiving the broadband, unipolar, ultrasonic pulses.

Ultrasonic control of ceramic membrane fouling: Effect of particle characteristics.

PubMed

Chen, Dong; Weavers, Linda K; Walker, Harold W

2006-02-01

In this study, the effect of particle characteristics on the ultrasonic control of membrane fouling was investigated. Ultrasound at 20 kHz was applied to a cross-flow filtration system with gamma-alumina membranes in the presence of colloidal silica particles. Experimental results indicated that particle concentration affected the ability of ultrasound to control membrane fouling, with less effective control of fouling at higher particle concentrations. Measurements of sound wave intensity and images of the cavitation region indicated that particles induced additional cavitation bubbles near the ultrasonic source, which resulted in less turbulence reaching the membrane surface and subsequently less effective control of fouling. When silica particles were modified to be hydrophobic, greater inducement of cavitation bubbles near the ultrasonic source occurred for a fixed concentration, also resulting in less effective control of fouling. Particle size influenced the cleaning ability of ultrasound, with better permeate recovery observed with larger particles. Particle size did not affect sound wave intensity, suggesting that the more effective control of fouling by large particles was due to greater lift and cross-flow drag forces on larger particles compared to smaller particles.

Nonlinear generation of large-scale magnetic fields in forced spherical shell dynamos

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

Livermore, P. W.; Hughes, D. W.; Tobias, S. M.

2010-03-15

In an earlier paper [P. W. Livermore, D. W. Hughes, and S. M. Tobias, ''The role of helicity and stretching in forced kinematic dynamos in a spherical shell'', Phys. Fluids 19, 057101 (2007)], we considered the kinematic dynamo action resulting from a forced helical flow in a spherical shell. Although mean field electrodynamics suggests that the resulting magnetic field should have a significant mean (axisymmetric) component, we found no evidence for this; the dynamo action was distinctly small scale. Here we extend our investigation into the nonlinear regime in which the magnetic field reacts back on the velocity via themore » Lorentz force. Our main result is somewhat surprising, namely, that nonlinear effects lead to a considerable change in the structure of the magnetic field, its final state having a significant mean component. By investigating the dominant flow-field interactions, we isolate the dynamo mechanism and show schematically how the generation process differs between the kinematic and nonlinear regimes. In addition, we are able to calculate some components of the transport coefficient {alpha} and thus discuss our results within the context of mean field electrodynamics.« less

Experimental Investigation on Acoustic Control Droplet Transfer in Ultrasonic-Wave-Assisted Gas Metal Arc Welding

NASA Astrophysics Data System (ADS)

Weifeng, Xie; Chenglei, Fan; Chunli, Yang; Sanbao, Lin

2018-02-01

Ultrasonic-wave-assisted gas metal arc welding (U-GMAW) is a new, advanced arc welding method that uses an ultrasonic wave emitted from an ultrasonic radiator above the arc. However, it remains unclear how the ultrasonic wave affects the metal droplet, hindering further application of U-GMAW. In this paper, an improved U-GMAW system was used and its superiority was experimentally demonstrated. Then a series of experiments were designed and performed to study how the ultrasonic wave affects droplet transfer, including droplet size, velocity, and motion trajectory. The behavior of droplet transfer was observed in high-speed images. The droplet transfer is closely related to the distribution of the acoustic field, determined by the ultrasonic current. Moreover, by analyzing the variably accelerated motion of the droplet, the acoustic control of the droplet transfer was intuitively demonstrated. Finally, U-GMAW was successfully used in vertical-up and overhead welding experiments, showing that U-GMAW is promising for use in welding in all positions.

Polarization-dependent optical reflection ultrasonic detection

NASA Astrophysics Data System (ADS)

Zhu, Xiaoyi; Huang, Zhiyu; Wang, Guohe; Li, Wenzhao; Li, Changhui

2017-03-01

Although ultrasound transducers based on commercial piezoelectric-material have been widely used, they generally have limited bandwidth centered at the resonant frequency. Currently, several pure-optical ultrasonic detection methods have gained increasing interest due to their wide bandwidth and high sensitivity. However, most of them require customized components (such as micro-ring, SPR, Fabry-Perot film, etc), which limit their broad implementations. In this study, we presented a simple pure-optical ultrasound detection method, called "Polarization-dependent Reflection Ultrasonic Detection" (PRUD). It detects the intensity difference between two polarization components of the probe beam that is modulated by ultrasound waves. PRUD detect the two components by using a balanced detector, which effectively suppressed much of the unwanted noise. We have achieved the sensitivity (noise equivalent pressure) to be 1.7kPa, and this can be further improved. In addition, like many other pure-optical ultrasonic detection methods, PRUD also has a flat and broad bandwidth from almost zero to over 100MHz. Besides theoretical analysis, we did a phantom study by imaging a tungsten filament to demonstrate the performance of PRUD. We believe this simple and economic method will attract both researchers and engineers in optical and ultrasound fields.

Ultrasonic measurements of breast viscoelasticity.

PubMed

Sridhar, Mallika; Insana, Michael F

2007-12-01

In vivo measurements of the viscoelastic properties of breast tissue are described. Ultrasonic echo frames were recorded from volunteers at 5 fps while applying a uniaxial compressive force (1-20 N) within a 1 s ramp time and holding the force constant for up to 200 s. A time series of strain images was formed from the echo data, spatially averaged viscous creep curves were computed, and viscoelastic strain parameters were estimated by fitting creep curves to a second-order Voigt model. The useful strain bandwidth from this quasi-static ramp stimulus was 10(-2) < or = omega < or = 10(0) rad/s (0.0016-0.16 Hz). The stress-strain curves for normal glandular tissues are linear when the surface force applied is between 2 and 5 N. In this range, the creep response was characteristic of biphasic viscoelastic polymers, settling to a constant strain (arrheodictic) after 100 s. The average model-based retardance time constants for the viscoelastic response were 3.2 +/- 0.8 and 42.0 +/- 28 s. Also, the viscoelastic strain amplitude was approximately equal to that of the elastic strain. Above 5 N of applied force, however, the response of glandular tissue became increasingly nonlinear and rheodictic, i.e., tissue creep never reached a plateau. Contrasting in vivo breast measurements with those in gelatin hydrogels, preliminary ideas regarding the mechanisms for viscoelastic contrast are emerging.

Muscle co-contraction patterns in robot-mediated force field learning to guide specific muscle group training.

PubMed

Pizzamiglio, Sara; Desowska, Adela; Shojaii, Pegah; Taga, Myriam; Turner, Duncan L

2017-01-01

Muscle co-contraction is a strategy of increasing movement accuracy and stability employed in dealing with force perturbation of movement. It is often seen in neuropathological populations. The direction of movement influences the pattern of co-contraction, but not all movements are easily achievable for populations with motor deficits. Manipulating the direction of the force instead, may be a promising rehabilitation protocol to train movement with use of a co-contraction reduction strategy. Force field learning paradigms provide a well described procedure to evoke and test muscle co-contraction. The aim of this study was to test the muscle co-contraction pattern in a wide range of arm muscles in different force-field directions utilising a robot-mediated force field learning paradigm of motor adaptation. Forty-two participants volunteered to participate in a study utilising robot-mediated force field motor adaptation paradigm with a clockwise or counter-clockwise force field. Kinematics and surface electromyography (EMG) of eight arm muscles were measured. Both muscle activation and co-contraction was earlier and stronger in flexors in the clockwise condition and in extensors in the counter-clockwise condition. Manipulating the force field direction leads to changes in the pattern of muscle co-contraction.

The Alexandria library, a quantum-chemical database of molecular properties for force field development.

PubMed

Ghahremanpour, Mohammad M; van Maaren, Paul J; van der Spoel, David

2018-04-10

Data quality as well as library size are crucial issues for force field development. In order to predict molecular properties in a large chemical space, the foundation to build force fields on needs to encompass a large variety of chemical compounds. The tabulated molecular physicochemical properties also need to be accurate. Due to the limited transparency in data used for development of existing force fields it is hard to establish data quality and reusability is low. This paper presents the Alexandria library as an open and freely accessible database of optimized molecular geometries, frequencies, electrostatic moments up to the hexadecupole, electrostatic potential, polarizabilities, and thermochemistry, obtained from quantum chemistry calculations for 2704 compounds. Values are tabulated and where available compared to experimental data. This library can assist systematic development and training of empirical force fields for a broad range of molecules.

The Alexandria library, a quantum-chemical database of molecular properties for force field development

NASA Astrophysics Data System (ADS)

Ghahremanpour, Mohammad M.; van Maaren, Paul J.; van der Spoel, David

2018-04-01

Data quality as well as library size are crucial issues for force field development. In order to predict molecular properties in a large chemical space, the foundation to build force fields on needs to encompass a large variety of chemical compounds. The tabulated molecular physicochemical properties also need to be accurate. Due to the limited transparency in data used for development of existing force fields it is hard to establish data quality and reusability is low. This paper presents the Alexandria library as an open and freely accessible database of optimized molecular geometries, frequencies, electrostatic moments up to the hexadecupole, electrostatic potential, polarizabilities, and thermochemistry, obtained from quantum chemistry calculations for 2704 compounds. Values are tabulated and where available compared to experimental data. This library can assist systematic development and training of empirical force fields for a broad range of molecules.

Ultrasonic Stir Welding Development for Ground-Based and In Situ Fabrication and Repair for In-Space Propulsion Systems/Commercial Space Sector

NASA Technical Reports Server (NTRS)

Ding, Jeff

2015-01-01

The completed Center Innovation Fund (CIF) project used the upgraded Ultrasonic Stir Weld (USW) Prototype System (built in 2013/2014) to begin characterizing the weld process using 2219 aluminum (fig. 1). This work is being done in Bldg. 4755 at NASA Marshall Space Flight Center (MSFC). The capabilities of the USW system provides the means to precisely control and document individual welding parameters. The current upgraded system has the following capabilities: (1) Ability to 'pulse' ultrasonic (US) energy on and off and adjust parameters real-time (travel speed, spindle rpm, US amplitude, X and Z axis positions, and plunge and pin axis force; (2) Means to measure draw force; (3) Ability to record US power versus time; (4) Increasing stiffness of Z axis drive and reduce head deflection using laser technology; (5) Adding linear encoder to better control tool penetration setting; (6) Ultrasonic energy integrated into stir rod and containment plate; (7) Maximum 600 rpm; (8) Maximum Z force 15,000 lb; (9) Real-time data acquisition and logging capabilities at a minimum frequency of 10 Hz; and (10) Two separate transducer power supplies operating at 4.5 kW power.

Molecular dynamics study of response of liquid N,N-dimethylformamide to externally applied electric field using a polarizable force field

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

Gao, Weimin; Niu, Haitao; Lin, Tong

2014-01-28

The behavior of Liquid N,N-dimethylformamide subjected to a wide range of externally applied electric fields (from 0.001 V/nm to 1 V/nm) has been investigated through molecular dynamics simulation. To approach the objective the AMOEBA polarizable force field was extended to include the interaction of the external electric field with atomic partial charges and the contribution to the atomic polarization. The simulation results were evaluated with quantum mechanical calculations. The results from the present force field for the liquid at normal conditions were compared with the experimental and molecular dynamics results with non-polarizable and other polarizable force fields. The uniform externalmore » electric fields of higher than 0.01 V/nm have a significant effect on the structure of the liquid, which exhibits a variation in numerous properties, including molecular polarization, local cluster structure, rotation, alignment, energetics, and bulk thermodynamic and structural properties.« less

Method and means of transmitting and receiving broad-band unipolar, ultrasonic pulses for ultrasonic inspection

DOEpatents

Thompson, D.O.; Hsu, D.K.

1993-12-14

The invention includes a means and method for transmitting and receiving broadband, unipolar, ultrasonic pulses for ultrasonic inspection. The method comprises generating a generally unipolar ultrasonic stress pulse from a low impedance voltage pulse transmitter along a low impedance electrical pathway to an ultrasonic transducer, and receiving the reflected echo of the pulse by the transducer, converting it to a voltage signal, and passing it through a high impedance electrical pathway to an output. The means utilizes electrical components according to the method. The means and method allow a single transducer to be used in a pulse/echo mode, and facilitates alternatingly transmitting and receiving the broadband, unipolar, ultrasonic pulses. 25 figures.

Apparatus having reduced mechanical forces for supporting high magnetic fields

DOEpatents

Prueitt, Melvin L.; Mueller, Fred M.; Smith, James L.

1991-01-01

The present invention identifies several configurations of conducting elements capable of supporting extremely high magnetic fields suitable for plasma confinement, wherein forces experienced by the conducting elements are significantly reduced over those which are present as a result of the generation of such high fields by conventional techniques. It is anticipated that the use of superconducting materials will both permit the attainment of such high fields and further permit such fields to be generated with vastly improved efficiency.

Ultrasonic Spot and Torsion Welding of Aluminum to Titanium Alloys: Process, Properties and Interfacial Microstructure

NASA Astrophysics Data System (ADS)

Balle, Frank; Magin, Jens

Hybrid lightweight structures shape the development of future vehicles in traffic engineering and the aerospace industry. For multi-material concepts made out of aluminum and titanium alloys, the ultrasonic welding technique is an alternative effective joining technology. The overlapped structures can be welded in the solid state, even without gas shielding. In this paper the conventional ultrasonic spot welding with longitudinal oscillation mode is compared to the recent ultrasonic torsion welding with a torsional mode at 20 kHz working frequency. For each technique the process parameters welding force, welding energy and oscillation amplitude were optimized for the hybrid joints using design of experiments. Relationships between the process parameters, mechanical properties and related welding zone should be understood. Central aspects of the research project are microscopic studies of the joining zone in cross section and extensive fracture surface analysis. Detailed electron microscopy and spectroscopy of the hybrid interface help to understand the interfacial formation during ultrasonic welding as well as to transfer the gained knowledge for further multi-metal joints.

Deep eutectic solvent formation: a structural view using molecular dynamics simulations with classical force fields

NASA Astrophysics Data System (ADS)

Mainberger, Sebastian; Kindlein, Moritz; Bezold, Franziska; Elts, Ekaterina; Minceva, Mirjana; Briesen, Heiko

2017-06-01

Deep eutectic solvents (DES) have gained a reputation as inexpensive and easy to handle ionic liquid analogues. This work employs molecular dynamics (MD) to simulate a variety of DES. The hydrogen bond acceptor (HBA) choline chloride was paired with the hydrogen bond donors (HBD) glycerol, 1,4-butanediol, and levulinic acid. Levulinic acid was also paired with the zwitterionic HBA betaine. In order to evaluate the reliability of data MD simulations can provide for DES, two force fields were compared: the Merck Molecular Force Field and the General Amber Force Field with two different sets of partial charges for the latter. The force fields were evaluated by comparing available experimental thermodynamic and transport properties against simulated values. Structural analysis was performed on the eutectic systems and compared to non-eutectic compositions. All force fields could be validated against certain experimental properties, but performance varied depending on the system and property in question. While extensive hydrogen bonding was found for all systems, details about the contribution of individual groups strongly varied among force fields. Interaction potentials revealed that HBA-HBA interactions weaken linearly with increasing HBD ratio, while HBD-HBD interactions grew disproportionally in magnitude, which might hint at the eutectic composition of a system.

Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model.

PubMed

Mohebifar, Mohamad; Johnson, Erin R; Rowley, Christopher N

2017-12-12

London dispersion interactions play an integral role in materials science and biophysics. Force fields for atomistic molecular simulations typically represent dispersion interactions by the 12-6 Lennard-Jones potential using empirically determined parameters. These parameters are generally underdetermined, and there is no straightforward way to test if they are physically realistic. Alternatively, the exchange-hole dipole moment (XDM) model from density-functional theory predicts atomic and molecular London dispersion coefficients from first principles, providing an innovative strategy to validate the dispersion terms of molecular-mechanical force fields. In this work, the XDM model was used to obtain the London dispersion coefficients of 88 organic molecules relevant to biochemistry and pharmaceutical chemistry and the values compared with those derived from the Lennard-Jones parameters of the CGenFF, GAFF, OPLS, and Drude polarizable force fields. The molecular dispersion coefficients for the CGenFF, GAFF, and OPLS models are systematically higher than the XDM-calculated values by a factor of roughly 1.5, likely due to neglect of higher order dispersion terms and premature truncation of the dispersion-energy summation. The XDM dispersion coefficients span a large range for some molecular-mechanical atom types, suggesting an unrecognized source of error in force-field models, which assume that atoms of the same type have the same dispersion interactions. Agreement with the XDM dispersion coefficients is even poorer for the Drude polarizable force field. Popular water models were also examined, and TIP3P was found to have dispersion coefficients similar to the experimental and XDM references, although other models employ anomalously high values. Finally, XDM-derived dispersion coefficients were used to parametrize molecular-mechanical force fields for five liquids-benzene, toluene, cyclohexane, n-pentane, and n-hexane-which resulted in improved accuracy in the

An improved DNA force field for ssDNA interactions with gold nanoparticles

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

Jiang, Xiankai; Huai, Ping; Fan, Chunhai

The widespread applications of single-stranded DNA (ssDNA) conjugated gold nanoparticles (AuNPs) have spurred an increasing interest in the interactions between ssDNA and AuNPs. Despite extensive studies using the most sophisticated experimental techniques, the detailed molecular mechanisms still remain largely unknown. Large scale molecular dynamics (MD) simulations can thus be used to supplement experiments by providing complementary information about ssDNA-AuNP interactions. However, up to now, all modern force fields for DNA were developed based on the properties of double-stranded DNA (dsDNA) molecules, which have hydrophilic outer backbones “protecting” hydrophobic inner nucleobases from water. Without the double-helix structure of dsDNA and thusmore » the “protection” by the outer backbone, the nucleobases of ssDNA are directly exposed to solvent, and their behavior in water is very different from that of dsDNA, especially at the interface with nanoparticles. In this work, we have improved the force field of ssDNA for use with nanoparticles, such as AuNPs, based on recent experimental results and quantum mechanics calculations. With the new improved force field, we demonstrated that a poly(A) sequence adsorbed on a AuNP surface is much more stable than a poly(T) sequence, which is consistent with recent experimental observations. On the contrary, the current standard force fields, including AMBER03, CHARMM27, and OPLSAA, all gave erroneous results as compared to experiments. The current improved force field is expected to have wide applications in the study of ssDNA with nanomaterials including AuNPs, which might help promote the development of ssDNA-based biosensors and other bionano-devices.« less

An improved DNA force field for ssDNA interactions with gold nanoparticles

NASA Astrophysics Data System (ADS)

Jiang, Xiankai; Gao, Jun; Huynh, Tien; Huai, Ping; Fan, Chunhai; Zhou, Ruhong; Song, Bo

2014-06-01

The widespread applications of single-stranded DNA (ssDNA) conjugated gold nanoparticles (AuNPs) have spurred an increasing interest in the interactions between ssDNA and AuNPs. Despite extensive studies using the most sophisticated experimental techniques, the detailed molecular mechanisms still remain largely unknown. Large scale molecular dynamics (MD) simulations can thus be used to supplement experiments by providing complementary information about ssDNA-AuNP interactions. However, up to now, all modern force fields for DNA were developed based on the properties of double-stranded DNA (dsDNA) molecules, which have hydrophilic outer backbones "protecting" hydrophobic inner nucleobases from water. Without the double-helix structure of dsDNA and thus the "protection" by the outer backbone, the nucleobases of ssDNA are directly exposed to solvent, and their behavior in water is very different from that of dsDNA, especially at the interface with nanoparticles. In this work, we have improved the force field of ssDNA for use with nanoparticles, such as AuNPs, based on recent experimental results and quantum mechanics calculations. With the new improved force field, we demonstrated that a poly(A) sequence adsorbed on a AuNP surface is much more stable than a poly(T) sequence, which is consistent with recent experimental observations. On the contrary, the current standard force fields, including AMBER03, CHARMM27, and OPLSAA, all gave erroneous results as compared to experiments. The current improved force field is expected to have wide applications in the study of ssDNA with nanomaterials including AuNPs, which might help promote the development of ssDNA-based biosensors and other bionano-devices.

An improved DNA force field for ssDNA interactions with gold nanoparticles.

PubMed

Jiang, Xiankai; Gao, Jun; Huynh, Tien; Huai, Ping; Fan, Chunhai; Zhou, Ruhong; Song, Bo

2014-06-21

The widespread applications of single-stranded DNA (ssDNA) conjugated gold nanoparticles (AuNPs) have spurred an increasing interest in the interactions between ssDNA and AuNPs. Despite extensive studies using the most sophisticated experimental techniques, the detailed molecular mechanisms still remain largely unknown. Large scale molecular dynamics (MD) simulations can thus be used to supplement experiments by providing complementary information about ssDNA-AuNP interactions. However, up to now, all modern force fields for DNA were developed based on the properties of double-stranded DNA (dsDNA) molecules, which have hydrophilic outer backbones "protecting" hydrophobic inner nucleobases from water. Without the double-helix structure of dsDNA and thus the "protection" by the outer backbone, the nucleobases of ssDNA are directly exposed to solvent, and their behavior in water is very different from that of dsDNA, especially at the interface with nanoparticles. In this work, we have improved the force field of ssDNA for use with nanoparticles, such as AuNPs, based on recent experimental results and quantum mechanics calculations. With the new improved force field, we demonstrated that a poly(A) sequence adsorbed on a AuNP surface is much more stable than a poly(T) sequence, which is consistent with recent experimental observations. On the contrary, the current standard force fields, including AMBER03, CHARMM27, and OPLSAA, all gave erroneous results as compared to experiments. The current improved force field is expected to have wide applications in the study of ssDNA with nanomaterials including AuNPs, which might help promote the development of ssDNA-based biosensors and other bionano-devices.

Ultrasonic Nondestructive Evaluation Techniques Applied to the Quantitative Characterization of Textile Composite Materials

NASA Technical Reports Server (NTRS)

Miller, James G.

1997-01-01

In this Progress Report, we describe our further development of advanced ultrasonic nondestructive evaluation methods applied to the characterization of anisotropic materials. We present images obtained from experimental measurements of ultrasonic diffraction patterns transmitted through water only and transmitted through water and a thin woven composite. All images of diffraction patterns have been included on the accompanying CD-ROM in the JPEG format and Adobe TM Portable Document Format (PDF), in addition to the inclusion of hardcopies of the images contained in this report. In our previous semi-annual Progress Report (NAG 1-1848, December, 1996), we proposed a simple model to simulate the effect of a thin woven composite on an insonifying ultrasonic pressure field. This initial approach provided an avenue to begin development of a robust measurement method for nondestructive evaluation of anisotropic materials. In this Progress Report, we extend that work by performing experimental measurements on a single layer of a five-harness biaxial woven composite to investigate how a thin, yet architecturally complex, material interacts with the insonifying ultrasonic field. In Section 2 of this Progress Report we describe the experimental arrangement and methods for data acquisition of the ultrasonic diffraction patterns upon transmission through a thin woven composite. We also briefly describe the thin composite specimen investigated. Section 3 details the analysis of the experimental data followed by the experimental results in Section 4. Finally, a discussion of the observations and conclusions is found in Section 5.

Direct folding simulation of helical proteins using an effective polarizable bond force field.

PubMed

Duan, Lili; Zhu, Tong; Ji, Changge; Zhang, Qinggang; Zhang, John Z H

2017-06-14

We report a direct folding study of seven helical proteins (, Trpcage, , C34, N36, , ) ranging from 17 to 53 amino acids through standard molecular dynamics simulations using a recently developed polarizable force field-Effective Polarizable Bond (EPB) method. The backbone RMSDs, radius of gyrations, native contacts and native helix content are in good agreement with the experimental results. Cluster analysis has also verified that these folded structures with the highest population are in good agreement with their corresponding native structures for these proteins. In addition, the free energy landscape of seven proteins in the two dimensional space comprised of RMSD and radius of gyration proved that these folded structures are indeed of the lowest energy conformations. However, when the corresponding simulations were performed using the standard (nonpolarizable) AMBER force fields, no stable folded structures were observed for these proteins. Comparison of the simulation results based on a polarizable EPB force field and a nonpolarizable AMBER force field clearly demonstrates the importance of polarization in the folding of stable helical structures.

A Comparison of Wind Speed Data from Mechanical and Ultrasonic Anemometers

NASA Technical Reports Server (NTRS)

Short, D.; Wells, L.; Merceret, F.; Roeder, W. P.

2006-01-01

This study compared the performance of mechanical and ultrasonic anemometers at the Eastern Range (ER; Kennedy Space Center and Cape Canaveral Air Force Station on Florida's Atlantic coast) and the Western Range (WR; Vandenberg Air Force Base on California's Pacific coast). Launch Weather Officers, forecasters, and Range Safety analysts need to understand the performance of wind sensors at the ER and WR for weather warnings, watches, advisories, special ground processing operations, launch pad exposure forecasts, user Launch Commit Criteria (LCC) forecasts and evaluations, and toxic dispersion support. The current ER and WR weather tower wind instruments are being changed from the current propeller-and-vane (ER) and cup-and-vane (WR) sensors to ultrasonic sensors through the Range Standardization and Automation (RSA) program. The differences between mechanical and ultrasonic techniques have been found to cause differences in the statistics of peak wind speed in previous studies. The 45th Weather Squadron (45 WS) and the 30th Weather Squadron (30 WS) requested the Applied Meteorology Unit (AMU) to compare data between RSA and current sensors to determine if there are significant differences. Approximately 3 weeks of Legacy and RSA wind data from each range were used in the study, archived during May and June 2005. The ER data spanned the full diurnal cycle, while the WR data was confined to 1000-1600 local time. The sample of 1-minute data from numerous levels on 5 different towers on each range totaled more than 500,000 minutes of data (482,979 minutes of data after quality control). The 10 towers were instrumented at several levels, ranging from 12 ft to 492 ft above ground level. The RSA sensors were collocated at the same vertical levels as the present sensors and typically within 15 ft horizontally of each another. Data from a total of 53 RSA ultrasonic sensors, collocated with present sensors were compared. The 1-minute average wind speed/direction and the 1

Magnetic nanoparticles for enhancing the effectiveness of ultrasonic hyperthermia

NASA Astrophysics Data System (ADS)

Józefczak, A.; Kaczmarek, K.; Hornowski, T.; Kubovčíková, M.; Rozynek, Z.; Timko, M.; Skumiel, A.

2016-06-01

Ultrasonic hyperthermia is a method of cancer treatment in which tumors are exposed to an elevated cytotoxic temperature using ultrasound (US). In conventional ultrasonic hyperthermia, the ultrasound-induced heating in the tumor is achieved through the absorption of wave energy. However, to obtain appropriate temperature in reasonable time, high US intensities, which can have a negative impact on healthy tissues, are required. The effectiveness of US for medical purposes can be significantly improved by using the so-called sonosensitizers, which can enhance the thermal effect of US on the tissue by increasing US absorption. One possible candidate for such sonosensitizers is magnetic nanoparticles with mean sizes of 10-300 nm, which can be efficiently heated because of additional attenuation and scattering of US. Additionally, magnetic nanoparticles are able to produce heat in the alternating magnetic field (magnetic hyperthermia). The synergetic application of ultrasonic and magnetic hyperthermia can lead to a promising treatment modality.

Accelerated damage visualization using binary search with fixed pitch-catch distance laser ultrasonic scanning

NASA Astrophysics Data System (ADS)

Park, Byeongjin; Sohn, Hoon

2017-07-01

Laser ultrasonic scanning, especially full-field wave propagation imaging, is attractive for damage visualization thanks to its noncontact nature, sensitivity to local damage, and high spatial resolution. However, its practicality is limited because scanning at a high spatial resolution demands a prohibitively long scanning time. Inspired by binary search, an accelerated damage visualization technique is developed to visualize damage with a reduced scanning time. The pitch-catch distance between the excitation point and the sensing point is also fixed during scanning to maintain a high signal-to-noise ratio (SNR) of measured ultrasonic responses. The approximate damage boundary is identified by examining the interactions between ultrasonic waves and damage observed at the scanning points that are sparsely selected by a binary search algorithm. Here, a time-domain laser ultrasonic response is transformed into a spatial ultrasonic domain response using a basis pursuit approach so that the interactions between ultrasonic waves and damage, such as reflections and transmissions, can be better identified in the spatial ultrasonic domain. Then, the area inside the identified damage boundary is visualized as damage. The performance of the proposed damage visualization technique is validated excusing a numerical simulation performed on an aluminum plate with a notch and experiments performed on an aluminum plate with a crack and a wind turbine blade with delamination. The proposed damage visualization technique accelerates the damage visualization process in three aspects: (1) the number of measurements that is necessary for damage visualization is dramatically reduced by a binary search algorithm; (2) the number of averaging that is necessary to achieve a high SNR is reduced by maintaining the wave propagation distance short; and (3) with the proposed technique, the same damage can be identified with a lower spatial resolution than the spatial resolution required by full-field

Hydration Free Energy from Orthogonal Space Random Walk and Polarizable Force Field.

PubMed

Abella, Jayvee R; Cheng, Sara Y; Wang, Qiantao; Yang, Wei; Ren, Pengyu

2014-07-08

The orthogonal space random walk (OSRW) method has shown enhanced sampling efficiency in free energy calculations from previous studies. In this study, the implementation of OSRW in accordance with the polarizable AMOEBA force field in TINKER molecular modeling software package is discussed and subsequently applied to the hydration free energy calculation of 20 small organic molecules, among which 15 are positively charged and five are neutral. The calculated hydration free energies of these molecules are compared with the results obtained from the Bennett acceptance ratio method using the same force field, and overall an excellent agreement is obtained. The convergence and the efficiency of the OSRW are also discussed and compared with BAR. Combining enhanced sampling techniques such as OSRW with polarizable force fields is very promising for achieving both accuracy and efficiency in general free energy calculations.

Supporting the potential of quantitative ultrasonic techniques for the evaluation of platelet concentration

NASA Astrophysics Data System (ADS)

Villamarín, J. A.; Jiménez, Y. M.; Molano, L. Tatiana; Gutierrez, W. Edgar; Londoño, L. Fernando; Gutierrez, D. A.

2017-11-01

This article describes the results obtained by making use of a non-destructive, non-invasive ultrasonic system for the acoustic characterization of bovine plasma rich in platelets using digital signal processing techniques. This study includes computational methods based on acoustic spectrometry estimation and experimental measurements of the speed of sound in blood plasma from different samples analyzed, using an ultrasonic field with resonance frequency of 5 MHz. The results showed that the measurements on ultrasonic signals can contribute to the hematological predictions based on the linear regression model applied to the relationship between experimental ultrasonic parameters calculated and platelet concentration, indicating a growth rate of 1 m/s for each 0.90 x103 platelet per mm3. On the other hand, the attenuation coefficient presented changes of 20% in the platelet concentration using a resolution of 0.057 dB/cm MHz.

Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures

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

Hölzl, Christoph; Horinek, Dominik, E-mail: dominik.horinek@ur.de; Kibies, Patrick