Studies of IBL wire bonds operation in a ATLAS-like magnetic field.

CERN Document Server

Alvarez Feito, D; Mandelli, B

2015-01-01

At the Large Hadron Collider (LHC) experiments, most of silicon detectors use wire bonds to connect front-end chips and sensors to circuit boards for the data and service trans- missions. These wire bonds are operated in strong magnetic field environments and if time varying currents pass through them with frequencies close to their mechanical resonance frequency, strong resonant oscillations may occur. Under certain conditions, this effect can lead to fatigue stress and eventually breakage of wire bonds. During the first LHC Long Shutdown, the ATLAS Pixel Detector has been upgraded with the addition of a fourth innermost layer, the Insertable B-Layer (IBL), which has more than 50000 wire bonds operated in the ATLAS 2 T magnetic field. The results of systematic studies of operating wire bonds under IBL-like conditions are presented. Two different solutions have been investigated to minimize the oscillation amplitude of wire bonds.

Wire rope isolators for vibration isolation of equipment and structures – A review

International Nuclear Information System (INIS)

Balaji, P S; Rahman, M E; Lau, H H; Moussa, Leblouba

2015-01-01

Vibrations and shocks are studied using various techniques and analyzed to predict their detrimental effect on the equipment and structures. In cases, where the effects of vibration become unacceptable, it may cause structural damage and affect the operation of the equipment. Hence, adding a discrete system to isolate the vibration from source becomes necessary. The Wire Rope Isolator (WRI) can be used to effectively isolate the system from disturbing vibrations. The WRI is a type of passive isolator that exhibits nonlinear behavior. It consists of stranded wire rope held between two metal retainer bars and the metal wire rope is made up of individual wire strands that are in frictional contact with each other, hence, it is a kind of friction-type isolator. This paper compiles the research work on wire rope isolators. This paper presents the research work under two categories, namely monotonic and cyclic loading behaviors of WRI. The review also discusses the different terminologies associated with vibration isolation system and highlights the comparison between various isolation systems. (paper)

Polyurethane spray coating of aluminum wire bonds to prevent corrosion and suppress resonant oscillations

CERN Document Server

Izen, Joseph; The ATLAS collaboration; Kurth, Matthew Glenn

2015-01-01

Unencapsulated aluminum wedge wire bonds are common in particle-physics pixel and strip detectors. Industry-favored bulk encapsulation is eschewed due to the range of operating temperatures and radiation. Wire bond failures are a persistent, source of tracking detector failure Unencapsulated bonds are vulnerable to condensation-induced corrosion, particularly when halides are present. Oscillations from periodic Lorenz forces are documented as another source of wire bond failure. Spray application of polyurethane coatings, performance of polyurethane-coated wire bonds after climate chamber exposure, and resonant properties of PU-coated wire bonds and their resistance to periodic Lorenz forces will be described.

Transverse Beam Halo Measurements at High Intensity Neutrino Source (HINS) using Vibrating Wire Monitor

Energy Technology Data Exchange (ETDEWEB)

Chung, M.; Hanna, B.; Scarpine, V.; Shiltsev, V.; Steimel, J.; Artinian, S.; Arutunian, S.

2015-02-26

The measurement and control of beam halos will be critical for the applications of future high-intensity hadron linacs. In particular, beam profile monitors require a very high dynamic range when used for the transverse beam halo measurements. In this study, the Vibrating Wire Monitor (VWM) with aperture 60 mm was installed at the High Intensity Neutrino Source (HINS) front-end to measure the transverse beam halo. A vibrating wire is excited at its resonance frequency with the help of a magnetic feedback loop, and the vibrating and sensitive wires are connected through a balanced arm. The sensitive wire is moved into the beam halo region by a stepper motor controlled translational stage. We study the feasibility of the vibrating wire for the transverse beam halo measurements in the low-energy front-end of the proton linac.

Laser-heating wire bonding on MEMS packaging

Directory of Open Access Journals (Sweden)

Yuetao Liu

2014-02-01

Full Text Available Making connections is critical in fabrication of MEMS (Micro-Electro-Mechanical Systems. It is also complicated, because the temperature during joining affects both the bond produced and the structure and mechanical properties of the moving parts of the device. Specifications for MEMS packaging require that the temperature not exceed 240 °C. However, usually, temperatures can reach up to 300 °C during conventional thermosonic wire bonding. Such a temperature will change the distribution of dopants in CMOS (Complementary Metal Oxide Semiconductor circuits. In this paper we propose a new heating process. A semiconductor laser (wavelength 808 nm is suggested as the thermal source for wire bonding. The thermal field of this setup was analyzed, and specific mathematical models of the field were built. Experimental results show that the heating can be focused on the bonding pad, and that much lower heat conduction occurs, compared with that during the normal heating method. The bond strength increases with increasing laser power. The bond strengths obtained with laser heating are slightly lower than those obtained with the normal heating method, but can still meet the strength requirements for MEMS.

Vibrating wire for beam profile scanning

Directory of Open Access Journals (Sweden)

S. G. Arutunian

1999-12-01

Full Text Available A method that measures the transverse profile (emittance of the bunch by detecting radiation arising at the scattering of the bunch on scanning wire is widely used. In this work information about bunch scattering is obtained by measuring the oscillation frequency of the tightened scanning wire. In such a way, the system of radiation (or secondary particles extraction and measurement can be removed. The entire unit consists of a compact fork with tightened wire and a scanning system. Normal oscillation frequency of a wire depends on wire tension, its geometric parameters, and, in a second approximation, its elastic characteristics. Normal oscillations are generated by interaction of an alternating current through the wire with magnetic field of a permanent magnet. In this case, it is suggested that the magnetic field of the accelerator (field of dipole magnets or quadrupole magnets be used for excitation of oscillations. The dependence of oscillation frequency on beam scattering is determined by several factors, including changes of wire tension caused by transverse force of the beam and influence of beam self-field. Preliminary calculations show that the influence of wire heating will dominate. We have studied strain gauges on the basis of vibrating wire from various materials (tungsten, beryl bronze, and niobium zirconium alloys. A scheme of normal oscillation generation by alternating current in autogeneration circuit with automatic frequency adjustment was selected. A special method of wire fixation and elimination of transverse degrees of freedom allows us to achieve relative stability better than 10^{-5} during several days at a relative resolution of 10^{-6}. Experimental results and estimates of wire heating of existing scanners show that the wire heats up to a few hundred grades, which is enough for measurements. The usage of wire of micrometer thickness diminishes the problem of wire thermalization speed during the scanning of the bunch.

Polyurethane spray coating of aluminum wire bonds to prevent corrosion and suppress resonant oscillations

CERN Document Server

INSPIRE-00092738; Kurth, Matthew; Boyd, Rusty

2016-01-01

Unencapsulated aluminum wedge wire bonds are common in particle physics pixel and strip detectors. Industry-favored bulk encapsulation is eschewed due to the range of operating temperatures and radiation. Wire bond failures are a persistent source of tracking-detector failure. Unencapsulated bonds are vulnerable to condensation-induced corrosion, particularly when halides are present. Oscillations from periodic Lorentz forces are documented as another source of wire bond failure. Spray application of polyurethane coatings, performance of polyurethane-coated wire bonds after climate chamber exposure, and resonant properties of polyurethane-coated wire bonds and their resistance to periodic Lorentz forces are under study for use in a future High Luminosity Large Hadron Collider detector such as the ATLAS Inner Tracker upgrade.

An in situ test of vibrating wire stressmeters in granitic rock

International Nuclear Information System (INIS)

Spinney, M.H.

1990-02-01

An in situ test was conducted to assess the ability of vibrating-wire stressmeters to measure stress changes in hard, unfractured granitic rock at the Underground Research Laboratory (URL). Twelve vibrating-wire stressmeters installed ahead of the face and below floor grade of Room 205 were monitored during the excavation of Room 205. The results were compared with results from CSIRO hollow inclusion triaxial strain cells, USBM boreholes deformation gauge overcore tests done before and after excavation, and a two-dimensional numerical model

Fine pitch thermosonic wire bonding: analysis of state-of-the-art manufacturing capability

Science.gov (United States)

Cavasin, Daniel

1995-09-01

A comprehensive process characterization was performed at the Motorola plastic package assembly site in Selangor, Malaysia, to document the current fine pitch wire bond process capability, using state-of-the-art equipment, in an actual manufacturing environment. Two machines, representing the latest technology from two separate manufacturers, were operated one shift per day for five days, bonding a 132 lead Plastic Quad Flat Pack. Using a test device specifically designed for fine pitch wire bonding, the bonding programs were alternated between 107 micrometers and 92 micrometers pad pitch, running each pitch for a total of 1600 units per machine. Wire, capillary type, and related materials were standardized and commercially available. A video metrology measurement system, with a demonstrated six sigma repeatability band width of 0.51 micrometers , was utilized to measure the bonded units for bond dimensions and placement. Standard Quality Assurance (QA) metrics were also performed. Results indicate that state-of-the-art thermosonic wire bonding can achieve acceptable assembly yields at these fine pad pitches.

Effect of iodine on the corrosion of Au-Al wire bonds

DEFF Research Database (Denmark)

Verdingovas, Vadimas; Müller, Lutz; Jellesen, Morten Stendahl

2015-01-01

Corrosion study was performed on Au-Al wire bonds, thin layers of sputter deposited Au and Al, and Au-Al intermetallic nuggets. The test environment was iodine-vapour in air (1. mg/L) at 85 °C with varying relative humidity, and 500 mg/L of KI in water. GDOES, XRD, SEM EDS, wire bond shear......, and electrochemical testing were used to characterize the samples. Failures of Au-Al wire bonds were found to be primarily attributed to the corrosion of Al via formation of Al iodides and consequent formation of Al oxides and/or hydroxides. Most susceptible to corrosion are Al metallization and Al rich intermetallic...

Monotonic and cyclic bond behavior of confined concrete using NiTiNb SMA wires

International Nuclear Information System (INIS)

Choi, Eunsoo; Chung, Young-Soo; Kim, Yeon-Wook; Kim, Joo-Woo

2011-01-01

This study conducts bond tests of reinforced concrete confined by shape memory alloy (SMA) wires which provide active and passive confinement of concrete. This study uses NiTiNb SMA which usually shows wide temperature hysteresis; this is a good advantage for the application of shape memory effects. The aims of this study are to investigate the behavior of SMA wire under residual stress and the performance of SMA wire jackets in improving bond behavior through monotonic-loading tests. This study also conducts cyclic bond tests and analyzes cyclic bond behavior. The use of SMA wire jackets transfers the bond failure from splitting to pull-out mode and satisfactorily increases bond strength and ductile behavior. The active confinement provided by the SMA plays a major role in providing external pressure on the concrete because the developed passive confinement is much smaller than the active confinement. For cyclic behavior, slip and circumferential strain are recovered more with larger bond stress. This recovery of slip and circumferential strain are mainly due to the external pressure of the SMA wires since cracked concrete cannot provide any elastic recovery

Simultaneous On-State Voltage and Bond-Wire Resistance Monitoring of Silicon Carbide MOSFETs

DEFF Research Database (Denmark)

Baker, Nick; Luo, Haoze; Iannuzzo, Francesco

2017-01-01

the voltage between the kelvin-source and power-source can be used to specifically monitor bond-wire degradation. Meanwhile, the drain to kelvin-source voltage can be monitored to track defects in the semiconductor die or gate driver. Through an accelerated aging test on 20 A Silicon Carbide Metal......-Oxide-Semiconductor-Field-Effect Transistors (MOSFETs), it is shown that there are opposing trends in the evolution of the on-state resistances of both the bond-wires and the MOSFET die. In summary, after 50,000 temperature cycles, the resistance of the bond-wires increased by up to 2 mΩ, while the on-state resistance of the MOSFET dies...... decreased by approximately 1 mΩ. The conventional failure precursor (monitoring a single forward voltage) cannot distinguish between semiconductor die or bond-wire degradation. Therefore, the ability to monitor both these parameters due to the presence of an auxiliary-source terminal can provide more...

"Vibrational bonding": a new type of chemical bond is discovered.

Science.gov (United States)

Rhodes, Christopher J; Macrae, Roderick M

2015-01-01

A long-sought but elusive new type of chemical bond, occurring on a minimum-free, purely repulsive potential energy surface, has recently been convincingly shown to be possible on the basis of high-level quantum-chemical calculations. This type of bond, termed a vibrational bond, forms because the total energy, including the dynamical energy of the nuclei, is lower than the total energy of the dissociated products, including their vibrational zero-point energy. For this to be the case, the ZPE of the product molecule must be very high, which is ensured by replacing a conventional hydrogen atom with its light isotope muonium (Mu, mass = 1/9 u) in the system Br-H-Br, a natural transition state in the reaction between Br and HBr. A paramagnetic species observed in the reaction Mu +Br2 has been proposed as a first experimental sighting of this species, but definitive identification remains challenging.

Study of gluing and wire bonding for the Belle II Silicon Vertex Detector

International Nuclear Information System (INIS)

Kang, K.H.; Hara, K.; Higuchi, T.; Hyun, H.J.; Jeon, H.B.; Joo, C.W.; Kah, D.H.; Kim, H.J.; Mibe, T.; Onuki, Y.; Park, H.; Rao, K.K.; Sato, N.; Shimizu, N.; Tanida, K.; Tsuboyama, T.; Uozumi, S.

2014-01-01

This paper describes an investigation into gluing and wire bonding for assembling the Silicon Vertex Detector (SVD) for the Belle II experiment at KEK in Japan. Optimizing the gluing of the silicon microstrip sensors, the support frame, and the readout flex cables is important for achieving the required mechanical precision. The wire bonding between the sensors and the readout electronic chips also needs special care to maximize the physics capability of the SVD. The silicon sensors and signal fan out flex circuits (pitch adapters) are glued and connected using wire bonding. We determine that gluing quality is important for achieving good bonding efficiency. The standard deviation in the glue thickness for the best result is measured to be 3.11 μm. Optimal machine parameters for wire bonding are determined to be 70 mW power, 20 gf force, and 20 ms for the pitch adapter and 60 mW power, 20 gf force, and 20 ms for the silicon strip sensors; these parameters provide a pull force of (10.92±0.72) gf. With these settings, 75% of the pitch adapters and 25% of the strip sensors experience the neck-broken type of break

Vibrating-Wire, Supercooled Liquid Water Content Sensor Calibration and Characterization Progress

Science.gov (United States)

King, Michael C.; Bognar, John A.; Guest, Daniel; Bunt, Fred

2016-01-01

NASA conducted a winter 2015 field campaign using weather balloons at the NASA Glenn Research Center to generate a validation database for the NASA Icing Remote Sensing System. The weather balloons carried a specialized, disposable, vibrating-wire sensor to determine supercooled liquid water content aloft. Significant progress has been made to calibrate and characterize these sensors. Calibration testing of the vibrating-wire sensors was carried out in a specially developed, low-speed, icing wind tunnel, and the results were analyzed. The sensor ice accretion behavior was also documented and analyzed. Finally, post-campaign evaluation of the balloon soundings revealed a gradual drift in the sensor data with increasing altitude. This behavior was analyzed and a method to correct for the drift in the data was developed.

Corrosion Study and Intermetallics Formation in Gold and Copper Wire Bonding in Microelectronics Packaging

Directory of Open Access Journals (Sweden)

Christopher Breach

2013-07-01

Full Text Available A comparison study on the reliability of gold (Au and copper (Cu wire bonding is conducted to determine their corrosion and oxidation behavior in different environmental conditions. The corrosion and oxidation behaviors of Au and Cu wire bonding are determined through soaking in sodium chloride (NaCl solution and high temperature storage (HTS at 175 °C, 200 °C and 225 °C. Galvanic corrosion is more intense in Cu wire bonding as compared to Au wire bonding in NaCl solution due to the minimal formation of intermetallics in the former. At all three HTS annealing temperatures, the rate of Cu-Al intermetallic formation is found to be three to five times slower than Au-Al intermetallics. The faster intermetallic growth rate and lower activation energy found in this work for both Au/Al and Cu/Al as compared to literature could be due to the thicker Al pad metallization which removed the rate-determining step in previous studies due to deficit in Al material.

New sensor and non-contact geometrical survey for the vibrating wire technique

Energy Technology Data Exchange (ETDEWEB)

Geraldes, Renan [Brazilian Synchrotron Light Laboratory (LNLS), Campinas, SP (Brazil); Junqueira Leão, Rodrigo, E-mail: rodrigo.leao@lnls.br [Brazilian Synchrotron Light Laboratory (LNLS), Campinas, SP (Brazil); Cernicchiaro, Geraldo [Brazilian Center for Research in Physics (CBPF), Rio de Janeiro, RJ (Brazil); Terenzi Neuenschwander, Regis; Citadini, James Francisco; Droher Rodrigues, Antônio Ricardo [Brazilian Synchrotron Light Laboratory (LNLS), Campinas, SP (Brazil)

2016-03-01

The tolerances for the alignment of the magnets in the girders of the next machine of the Brazilian Synchrotron Light Laboratory (LNLS), Sirius, are as small as 40 µm for translations and 0.2 mrad for rotations. Therefore, a novel approach to the well-known vibrating wire technique has been developed and tested for the precise fiducialization of magnets. The alignment bench consists of four commercial linear stages, a stretched wire, a commercial lock-in amplifier working with phase-locked loop (PLL), a coordinate measuring machine (CMM) and a vibration sensor for the wire. This novel sensor has been designed for a larger linear region of operation. For the mechanical metrology step of the fiducialization of quadrupoles an innovative technique, using the vision system of the CMM, is presented. While the work with pitch and yaw orientations is still ongoing with promising partial results, the system already presents an uncertainty level below 10 µm for translational alignment.

Performance studies of the vibration wire monitor on the test stand with low energy electron beam

International Nuclear Information System (INIS)

Okabe, Kota; Yoshimoto, Masahiro; Kinsho, Michikazu

2015-01-01

In the high intensity proton accelerator as the Japan Proton Accelerator Research Complex (J-PARC) accelerators, serious radiation and residual dose is induced by a small beam loss such a beam halo. Therefore, diagnostics of the beam halo formation is one of the most important issues to control the beam loss. For the beam halo monitor, the vibration wire monitor (VWM) has a potential for investigating the beam halo and weak beam scanning. The VWM has a wide dynamic range, high resolution and the VWM is not susceptible to secondary electrons and electric noises. We have studied the VWM features as a new beam-halo monitor on the test stand with low energy electron gun. The frequency shift of the irradiated vibration wire was confirmed about wire material and the electron beam profile measured by using the VWM was consistent with the results of the Faraday cup measurement. Also we calculated a temperature distribution on the vibration wire which is irradiated by the electron beam with the numerical simulation. The simulations have been fairly successful in reproducing the transient of the irradiated vibration wire frequency measured by test stand experiments. In this paper, we will report a result of performance evaluation for the VWM on the test stands and discuss the VWM for beam halo diagnostic. (author)

Microstructural evaluation of interfacial intermetallic compounds in Cu wire bonding with Al and Au pads

International Nuclear Information System (INIS)

Kim, Hyung Giun; Kim, Sang Min; Lee, Jae Young; Choi, Mi Ri; Choe, Si Hyun; Kim, Ki Hong; Ryu, Jae Sung; Kim, Sangshik; Han, Seung Zeon; Kim, Won Yong; Lim, Sung Hwan

2014-01-01

A comparative study on the difference in interfacial behavior of thermally aged Cu wire bonding with Al and Au pads was conducted using transmission electron microscopy. During high-temperature lifetime testing of Cu wire bonding with Al and Au pads at 175 °C for up to 2000 h, different growth rates and growth characteristics were investigated in the Cu–Al intermetallic compounds (IMCs), including CuAl 2 , CuAl and Cu 9 Al 4 , and in the Cu–Au IMCs, including (Au,Cu), Cu 3 Au and (Cu,Au). Because of the lower growth rates and greater ductility of Cu–Au IMCs compared to those of Cu–Al IMCs, the Cu wire bonding with the Au pad showed relatively better thermal aging properties of bond pull strength and ball shear strength than those with the Al pad counterpart. In this study, the coherent interfaces were found to retard the growth of IMCs, and a variety of orientation relationships between wire, pad and interfacial IMCs were identified

Simultaneous On-State Voltage and Bond-Wire Resistance Monitoring of Silicon Carbide MOSFETs

Directory of Open Access Journals (Sweden)

Nick Baker

2017-03-01

Full Text Available In fast switching power semiconductors, the use of a fourth terminal to provide the reference potential for the gate signal—known as a kelvin-source terminal—is becoming common. The introduction of this terminal presents opportunities for condition monitoring systems. This article demonstrates how the voltage between the kelvin-source and power-source can be used to specifically monitor bond-wire degradation. Meanwhile, the drain to kelvin-source voltage can be monitored to track defects in the semiconductor die or gate driver. Through an accelerated aging test on 20 A Silicon Carbide Metal-Oxide-Semiconductor-Field-Effect Transistors (MOSFETs, it is shown that there are opposing trends in the evolution of the on-state resistances of both the bond-wires and the MOSFET die. In summary, after 50,000 temperature cycles, the resistance of the bond-wires increased by up to 2 mΩ, while the on-state resistance of the MOSFET dies decreased by approximately 1 mΩ. The conventional failure precursor (monitoring a single forward voltage cannot distinguish between semiconductor die or bond-wire degradation. Therefore, the ability to monitor both these parameters due to the presence of an auxiliary-source terminal can provide more detailed information regarding the aging process of a device.

Theoretical and Experimental Study on Vibration Propagation in PMMA Components in Ultrasonic Bonding Process

Directory of Open Access Journals (Sweden)

Yibo Sun

2017-03-01

Full Text Available Ultrasonic bonding has an increasing application in the micro assembly of polymeric micro-electro mechanical systems (MEMS with high requirements for fusion precision. In the ultrasonic bonding process, the propagation of ultrasonic vibration in polymer components is related to the interfacial fusion, which can be used as a monitoring parameter to control ultrasonic energy. To study the vibration propagation in viscoelastic polymer components, finite element analysis on the bonding of poly methyl methacrylate (PMMA micro connector to substrate for microfluidic system is carried out. Curves of propagated vibration amplitude corresponding to interfacial temperatures are obtained. The ultrasonic vibration propagated in PMMA components are measured through experiments. The theoretical and experimental results are contrasted to analyze the change mechanism of vibration propagation related to temperature. Based on the ultrasonic bonding process controlled by the feedback of vibration propagation, interfacial fusions at different vibration propagation states are obtained through experiments. Interfacial fusion behavior is contrasted to the propagated vibration amplitude in theoretical and experimental studies. The relation between vibration propagation and fusion degree is established with the proper parameter range for the obtained high quality bonding.

Static and free vibration analysis of carbon nano wires based on Timoshenko beam theory using differential quadrature method

Directory of Open Access Journals (Sweden)

Maziar Janghorban

Full Text Available Static and free vibration analysis of carbon nano wires with rectangular cross section based on Timoshenko beam theory is studied in this research. Differential quadrature method (DQM is employed to solve the governing equations. From the knowledge of author, it is the first time that free vibration of nano wires is investigated. It is also the first time that differential quadrature method is used for bending analysis of nano wires.

Rectangular waveguide-to-coplanar waveguide transitions at U-band using e-plane probe and wire bonding

DEFF Research Database (Denmark)

Dong, Yunfeng; Johansen, Tom Keinicke; Zhurbenko, Vitaliy

2016-01-01

This paper presents rectangular waveguide-to-coplanar waveguide (CPW) transitions at U-band (40–60 GHz) using E-plane probe and wire bonding. The designs of CPWs based on quartz substrate with and without aluminum cover are explained. The single and double layer rectangular waveguide-to-CPW trans......This paper presents rectangular waveguide-to-coplanar waveguide (CPW) transitions at U-band (40–60 GHz) using E-plane probe and wire bonding. The designs of CPWs based on quartz substrate with and without aluminum cover are explained. The single and double layer rectangular waveguide......-to-CPW transitions using E-plane probe and wire bonding are designed. The proposed rectangular waveguide-to-CPW transition using wire bonding can provide 10 GHz bandwidth at U-band and does not require extra CPWs or connections between CPWs and chips. A single layer rectangular waveguide-to-CPW transition using E......-plane probe with aluminum package has been fabricated and measured to validate the proposed transitions. To the authors' best knowledge, this is the first time that a wire bonding is used as a probe for rectangular waveguide-to-CPW transition at U-band....

Reliability Tests of Aluminium Wedge Wire Bonding on Auto-catalytic Silver Immersion Gold (ASIG) PCB Metallization

CERN Document Server

Drozd, A; Kaufmann, S; Manolescu, F; McGill, I

2011-01-01

The Auto-catalytic Silver Immersion Gold (ASIG) PCB metallization is a new process that has clear advantages for PCB assembly especially with regard to lead-free soldering. As it may become a popular process in the future for electronics used in physics experiments, the quality of this metallization for aluminium wire bonding has been studied. Aluminium wedge wire bonding continues to be the interconnection method of choice for many physics detector sensors, for high density signal routing and for unpackaged die. Although advertised as having good quality for aluminium wire bonding, this study was performed to verify this claim as well as to test the longer term reliability of the wire bonds taking into consideration the environmental conditions and life-expectancy of devices, in particular for high energy physics detector applications. The tests were performed on PCBs made with the ASIG and ENIG (Electro-less Nickel Immersion Gold) processes at the same time in order to make a comparison with the current ind...

Vibration Control of a Flexible Rotor Using Shape Memory Alloy Wires

DEFF Research Database (Denmark)

Alves, Marco Túlio Santana; Enemark, Søren; Steffen Jr, Valdar

2015-01-01

In the present contribution, a theoretical model of a test rig containing a flexible rotor is simulated considering pseudoelastic SMA (Shape Memory Alloy) wires connected to a bearing in order to dissipate energy and consequently reduce vibration. SMAs have characteristics of shape memory...... of rotor and SMA wires are coupled. The chosen constitutive model that governs the SMA behaviour is a modified version of the model by Brinson for the one-dimensional case. Both transient and steady-state tests arenumerically simulated. The first one, a run-up test, is performed only at room temperature...

Evaluation of bond strength and load deflection rate of multi-stranded fixed retainer wires: An In-Vitro Study

Directory of Open Access Journals (Sweden)

Renu Sarah Samson

2018-01-01

Full Text Available Background: Fixed orthodontic retainers must be well retained on the tooth surfaces, allow physiologic movement of teeth and exert minimal forces on the teeth to be retained. Previous studies analyzed the bond strength and amount of deflection caused due to the debonding force but not the magnitude of force needed for unit deformation. Aims: This study aims to evaluate and compare the bond strength and load deflection rate (LDR of three different fixed retainer wires. Materials and Methods: The wires were divided into three Groups: A – three-stranded twisted ligature wire, B – Bond-A-Braid (Reliance Orthodontics, and C – three-stranded twisted lingual retainer wire (3M Unitek. Twenty models were prepared for each group with a passive 15 mm long lingual retainer wire bonded to two lower incisors. An occlusogingival force was applied to the wire until it debonded. For LDR, three-point bending test was done at 0.5 mm deflection. These forces were measured using a Universal Instron Testing Machine. Statistical Analysis: Mean bond strength/LDR and pairwise comparisons were analyzed with one-way ANOVA and Tukey's honest significant difference post hoc test, respectively. Results: Group C exhibited the highest mean bond strength and LDR of 101.17N and 1.84N, respectively. The intergroup comparisons were all statistically significant. Conclusion: Compared to the other two wire types, Group C might be better retained on the teeth due to its higher bond strength. With its relatively higher LDR value, it may resist deformation from occlusal forces, thereby reducing inadvertent tooth movement and yet remain flexible enough to allow physiologic tooth movements.

Behavior of palladium and its impact on intermetallic growth in palladium-coated Cu wire bonding

International Nuclear Information System (INIS)

Xu Hui; Qin, Ivy; Clauberg, Horst; Chylak, Bob; Acoff, Viola L.

2013-01-01

This paper describes the behavior of palladium in palladium-coated Cu (PdCu) wire bonding and its impact on bond reliability by utilizing transmission electron microscopy (TEM). A Pd layer approximately 80 nm thick, which is coated on the surface of Cu wire, dissolves into the Cu matrix during ball formation (under N 2 gas protection) when the wire tip is melted to form a ball. As a result of dissolving the very thin Pd layer into the ball, Pd is almost undetectable along the entire bond interface between the ball and the Al pad. The behavior of Pd during thermal aging in air, however, is different for central and peripheral interfaces. At the central interface, less than 5 at.% Pd is present after 168 h aging at 175 °C. At the periphery, however, Pd diffuses back and congregates, reaching a level of ∼12 at.% after 24 h, and a Pd-rich (Cu,Pd) 9 Al 4 layer (>40 at.% Pd) forms after 168 h. Pd acts substitutionally in Cu 9 Al 4 but cannot penetrate into the CuAl 2 or CuAl. By comparison of intermetallic thickness and interfacial morphology between PdCu and bare Cu wire bonds, it is concluded that the presence of Pd reduces intermetallic growth rate, and is associated with numerous nanovoids in PdCu bonds.

Free vibration response of a multilayer smart hybrid composite plate with embedded SMA wires

Directory of Open Access Journals (Sweden)

K. Malekzadeh

Full Text Available In this paper, free vibration response of a hybrid composite plate was studied. Effects of some geometrical, physical and material parameters on response of the composite plates embedded with shape memory alloy (SMA wires were investigated, which have not been reported in the literature thus far. Some of these parameters included important factors affecting free vibration response of the smart hybrid composite plates. The SMA wires were embedded within the layers of the composite laminate. First-order shear deformation theory (FSDT was utilized to obtain the governing equations of hybrid composite plates. Transverse shear and rotary inertia effects of the plate were taken into consideration. For simply-supported boundary conditions, systematic closed form solutions were obtained by Navier's technique. It was established that dynamic behavior of the smart hybrid composite plate depended on various parameters such as volume fraction, temperature dependent recovery stress and tensile pre-strain of SMA wires and aspect ratio of the laminated hybrid plate.

Minimisation of the wire position uncertainties of the new CERN vacuum wire scanner

CERN Document Server

AUTHOR|(CDS)2069346; Barjau Condomines, A

In the next years the luminosity of the LHC will be significantly increased. This will require a much higher accuracy of beam profile measurement than actually achievable by the current wire scanner. The new fast wire scanner is foreseen to measure small emittance beams throughout the LHC injector chain, which demands a wire travelling speed up to 20 ms-1 and position measurement accuracy of the order of a few microns. The vibrations of the mechanical parts of the system, and particularly the vibrations of the thin carbon wire, were identified as the major error sources of wire position uncertainty. Therefore the understanding of the wire vibrations is a high priority for the design and operation of the new device. This document presents the work performed to understand the main causes of the wire vibrations observed in one of the existing wire scanner and the new proposed design.

Comprehensive physical analysis of bond wire interfaces in power modules

DEFF Research Database (Denmark)

Popok, Vladimir; Pedersen, Kristian Bonderup; Kristensen, Peter Kjær

2016-01-01

causing failures. In this paper we present a review on the set of our experimental and theoretical studies allowing comprehensive physical analysis of changes in materials under active power cycling with focus on bond wire interfaces and thin metallisation layers. The developed electro-thermal and thermo...

Contribution of Adsorbed Protein Films to Nanoscopic Vibrations Exhibited by Bacteria Adhering through Ligand-Receptor Bonds.

Science.gov (United States)

Song, Lei; Sjollema, Jelmer; Norde, Willem; Busscher, Henk J; van der Mei, Henny C

2015-09-29

Bacteria adhering to surfaces exhibit nanoscopic vibrations that depend on the viscoelasticity of the bond. The quantification of the nanoscopic vibrations of bacteria adhering to surfaces provides new opportunities to better understand the properties of the bond through which bacteria adhere and the mechanisms by which they resist detachment. Often, however, bacteria do not adhere to bare surfaces but to adsorbed protein films, on which adhesion involves highly specific ligand-receptor binding next to nonspecific DLVO interaction forces. Here we determine the contribution of adsorbed salivary protein and fibronectin films to vibrations exhibited by adhering streptococci and staphylococci, respectively. The streptococcal strain used has the ability to adhere to adsorbed salivary proteins films through antigen I/II ligand-receptor binding, while the staphylococcal strain used adheres to adsorbed fibronectin films through a proteinaceous ligand-receptor bond. In the absence of ligand-receptor binding, electrostatic interactions had a large impact on vibration amplitudes of adhering bacteria on glass. On an adsorbed salivary protein film, vibration amplitudes of adhering streptococci depended on the film softness as determined by QCM-D and were reduced after film fixation using glutaraldehyde. On a relatively stiff fibronectin film, cross-linking the film in glutaraldehyde hardly reduced its softness, and accordingly fibronectin film softness did not contribute to vibration amplitudes of adhering staphylococci. However, fixation of the staphylococcus-fibronectin bond further decreased vibration amplitudes, while fixation of the streptococcus bond hardly impacted vibration amplitudes. Summarizing, this study shows that both the softness of adsorbed protein films and the properties of the bond between an adhering bacterium and an adsorbed protein film play an important role in bacterial vibration amplitudes. These nanoscopic vibrations reflect the viscoelasticity of the

Translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I

Science.gov (United States)

Takahashi, Masae; Ishikawa, Yoichi

2013-06-01

We perform dispersion-corrected first-principles calculations, and far-infrared (terahertz) spectroscopic experiments at 4 K, to examine translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I. The calculated frequencies and relative intensities reproduce the observed spectrum to accuracy of 11 cm-1 or less. The stronger one of the two peaks assigned to the translational mode includes the stretching vibration of the weak hydrogen bond between the acetyl groups of a neighboring one-dimensional chain. The calculation of aspirin form II performed for comparison gives the stretching vibration of the weak hydrogen bond in one-dimensional chain.

Spin transport in dangling-bond wires on doped H-passivated Si(100)

International Nuclear Information System (INIS)

Kepenekian, Mikaël; Robles, Roberto; Lorente, Nicolás; Rurali, Riccardo

2014-01-01

New advances in single-atom manipulation are leading to the creation of atomic structures on H-passivated Si surfaces with functionalities important for the development of atomic and molecular based technologies. We perform total-energy and electron-transport calculations to reveal the properties and understand the features of atomic wires crafted by H removal from the surface. The presence of dopants radically change the wire properties. Our calculations show that dopants have a tendency to approach the dangling-bond wires, and in these conditions, transport is enhanced and spin selective. These results have important implications in the development of atomic-scale spintronics showing that boron, and to a lesser extent phosphorous, convert the wires in high-quality spin filters. (paper)

Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of 4-chlorobenzothioamide

Science.gov (United States)

Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih

2013-09-01

In the present work, the experimental and theoretical vibrational spectra of 4-chlorobenzothioamide were investigated. The FT-IR (400-4000 cm-1) and μ-Raman spectra (100-4000 cm-1) of 4-chlorobenzothioamide in the solid phase were recorded. The geometric parameters (bond lengths and bond angles), vibrational frequencies, Infrared and Raman intensities of the title molecule in the ground state were calculated using ab initio Hartree-Fock and density functional theory (B3LYP) methods with the 6-311++G(d,p) basis set for the first time. The optimized geometric parameters and the theoretical vibrational frequencies were found to be in good agreement with the corresponding experimental data and with the results found in the literature. The vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of 4-chlorobenzothioamide was also simulated to evaluate the effect of intermolecular hydrogen bonding on the vibrational frequencies. It was observed that the Nsbnd H stretching modes shifted to lower frequencies, while the in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular Nsbnd H⋯S hydrogen bond. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies and diagrams were presented.

Prediction of Bond Wire Fatigue of IGBTs in a PV Inverter Under a Long-Term Operation

DEFF Research Database (Denmark)

Reigosa, Paula Diaz; Wang, Huai; Yang, Yongheng

2016-01-01

consumption of bond wires of IGBT modules in a Photovoltaic (PV) inverter. The variations in IGBT parameters (e.g., on-state collector-emitter voltage), lifetime models, and environmental and operational stresses are taken into account in the lifetime prediction. The distribution of the annual lifetime...... consumption is estimated based on a long-term annual stress profile of solar irradiance and ambient temperature. The proposed method enables a more realistic lifetime prediction with a specified confidence level compared to the state-of-the-art approaches. A study case of IGBT modules in a 10 kW three......Bond wire fatigue is one of the dominant failure mechanisms in IGBT modules under cyclic stresses. However, there are still major challenges ahead to achieve a realistic bond wire lifetime prediction in field operation. This paper proposes a Monte Carlo based analysis method to predict the lifetime...

The Pd distribution and Cu flow pattern of the Pd-plated Cu wire bond and their effect on the nanoindentation

International Nuclear Information System (INIS)

Lin, Yu-Wei; Wang, Ren-You; Ke, Wun-Bin; Wang, I-Sheng; Chiu, Ying-Ta; Lu, Kuo-Chang; Lin, Kwang-Lung; Lai, Yi-Shao

2012-01-01

Highlights: ► Pd distribution in Pd-plated Cu wires reveals the whirlpool flow pattern of Cu. ► The mechanisms of the Cu flow behavior and Pd distribution are proposed. ► At Pd-rich phases, small voids formed and followed the direction of Cu flow. ► Nanoindentation studies show the Cu ball bond is harder in regions with Pd. - Abstract: The Pd plating on the 20 μm Cu wire dissolves in the free air ball (FAB) and the Cu ball bond during the wire bonding process without forming intermetallic compounds. The limiting supply of Pd and the short bonding process, 15 ms of thermosonic bonding, result in uneven distribution of Pd in the as produced Cu ball bond. Also, the Pd-rich phase may accompany small voids formed within the FAB and the wire bond, and following the direction of semi-solid Cu flow. The Pd distribution, as evidenced by the focused ion beam (FIB) and wavelength dispersive X-ray spectroscopy (WDS) mapping, reveals the whirlpool flow pattern of Cu within the FAB and the ball bond. Pd distributes within the copper ball through convective transport by the copper flow. Additionally, hardness measurements by nanoindentation testing show that the Cu ball bond is harder in the regions where Pd exists.

Vibrational spectra and natural bond orbital analysis of organic crystal L-prolinium picrate

Science.gov (United States)

Edwin, Bismi; Amalanathan, M.; Hubert Joe, I.

2012-10-01

Vibrational spectral analysis and quantum chemical computations based on density functional theory (DFT) have been performed on the organic crystal L-prolinium picrate (LPP). The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers of LPP have been investigated using B3LYP method. The calculated molecular geometry has been compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA 4 program. The various intramolecular interactions confirming the biological activity of the compound have been exposed by natural bond orbital analysis. The distribution of Mulliken atomic charges and bending of natural hybrid orbitals associated with hydrogen bonding also reflects the presence of intramolecular hydrogen bonding thereby enhancing bioactivity. The analysis of the electron density of HOMO and LUMO gives an idea of the delocalization and low value of energy gap indicates electron transport in the molecule and thereby bioactivity. Vibrational analysis reveals the presence of strong O-H⋯O and N-H⋯O interaction between L-prolinium and picrate ions providing evidence for the charge transfer interaction between the donor and acceptor groups and is responsible for its bioactivity.

Fiducialization of the small-aperture quadrupoles based on the vibrating wire method

Energy Technology Data Exchange (ETDEWEB)

Wang, Baichuan, E-mail: wangbaichuan@nint.ac.cn [State Key Laboratory of Intense Pulsed Radiation Simulation and Effect (Northwest Institute of Nuclear Technology), Xi' an 710024 (China); Tsinghua University, Beijing 100084 (China); Zheng, Shuxin, E-mail: zhengsx@tsinghua.edu.cn [Tsinghua University, Beijing 100084 (China); Wu, Lin; Du, Changtong; Xing, Qingzi [Tsinghua University, Beijing 100084 (China); Wang, Zhongming; Qiu, Mengtong [State Key Laboratory of Intense Pulsed Radiation Simulation and Effect (Northwest Institute of Nuclear Technology), Xi' an 710024 (China); Wang, Xuewu [Tsinghua University, Beijing 100084 (China)

2016-03-11

A fiducialization method based on vibrating wire is described dedicated to the problem of locating the magnetic center relative to external fiducials for the small-aperture quadrupoles. The advantage of this method is that the measurement of the wire position, which may be the main error source, is no longer needed. The position of the magnetic center can be directly obtained by measuring the position shift of the magnet fiducials. This method has been validated on small Permanent Magnet Quadrupoles (PMQs). Experiments have confirmed its feasibility of measuring PMQs with good repeatability of about 10 μm, and shown its high sensitivity as well as convenience.

Vibrational tug-of-war: The pKA dependence of the broad vibrational features of strongly hydrogen-bonded carboxylic acids

Science.gov (United States)

Van Hoozen, Brian L.; Petersen, Poul B.

2018-04-01

Medium and strong hydrogen bonds give rise to broad vibrational features frequently spanning several hundred wavenumbers and oftentimes exhibiting unusual substructures. These broad vibrational features can be modeled from first principles, in a reduced dimensional calculation, that adiabatically separates low-frequency modes, which modulate the hydrogen bond length, from high-frequency OH stretch and bend modes that contribute to the vibrational structure. Previously this method was used to investigate the origin of an unusual vibrational feature frequently found in the spectra of dimers between carboxylic acids and nitrogen-containing aromatic bases that spans over 900 cm-1 and contains two broad peaks. It was found that the width of this feature largely originates from low-frequency modes modulating the hydrogen bond length and that the structure results from Fermi resonance interactions. In this report, we examine how these features change with the relative acid and base strength of the components as reflected by their aqueous pKA values. Dimers with large pKA differences are found to have features that can extend to frequencies below 1000 cm-1. The relationships between mean OH/NH frequency, aqueous pKA, and O-N distance are examined in order to obtain a more rigorous understanding of the origin and shape of the vibrational features. The mean OH/NH frequencies are found to correlate well with O-N distances. The lowest OH stretch frequencies are found in dimer geometries with O-N distances between 2.5 and 2.6 Å. At larger O-N distances, the hydrogen bonding interaction is not as strong, resulting in higher OH stretch frequencies. When the O-N distance is smaller than 2.5 Å, the limited space between the O and N determines the OH stretch frequency, which gives rise to frequencies that decrease with O-N distances. These two effects place a lower limit on the OH stretch frequency which is calculated to be near 700 cm-1. Understanding how the vibrational features

Mission-profile-based stress analysis of bond-wires in SiC power modules

DEFF Research Database (Denmark)

Bahman, Amir Sajjad; Iannuzzo, Francesco; Blaabjerg, Frede

2016-01-01

This paper proposes a novel mission-profile-based reliability analysis approach for stress on bond wires in Silicon Carbide (SiC) MOSFET power modules using statistics and thermo-mechanical FEM analysis. In the proposed approach, both the operational and environmental thermal stresses are taken...... into account. The approach uses a two-dimension statistical analysis of the operating conditions in a real one-year mission profile sampled at time frames 5 minutes long. For every statistical bin corresponding to a given operating condition, the junction temperature evolution is estimated by a thermal network...... and the mechanical stress on bond wires is consequently extracted by finite-element simulations. In the final step, the considered mission profile is translated in a stress sequence to be used for Rainflow counting calculation and lifetime estimation....

An assumed mode method and finite element method investigation of the coupled vibration in a flexible-disk rotor system with lacing wires

Energy Technology Data Exchange (ETDEWEB)

Zhou, Shui-Ting; Huang, Hong-Wu [Hunan University, Changsha (China); Chiu, Yi-Jui; Yu, Guo-Fei [Xiamen University of Technology, Xiamen (China); Yang, Chia-Hao [Taipei Chengshih University of Science and Technology, Taipei (China); Jian, Sheng-Rui [I-Shou University, Kaohsiung (China)

2017-02-15

The Assumed mode method (AMM) and Finite element method (FEM) were used. Their results were compared to investigate the coupled shaft-torsion, disk-transverse, and blade-bending vibrations in a flexible-disk rotor system. The blades were grouped with a spring. The flexible-disk rotor system was divided into three modes of coupled vibrations: Shaft-disk-blade, disk-blade, and blade-blade. Two new modes of coupled vibrations were introduced, namely, lacing wires-blade and lacing wires-disk-blade. The patterns of change of the natural frequencies and mode shapes of the system were discussed. The results showed the following: first, mode shapes and natural frequencies varied, and the results of the AMM and FEM differed; second, numerical calculation results showed three influencing factors on natural frequencies, namely, the lacing wire constant, the lacing wire location, and the flexible disk; lastly, the flexible disk could affect the stability of the system as reflected in the effect of the rotational speed.

Contribution of Adsorbed Protein Films to Nanoscopic Vibrations Exhibited by Bacteria Adhering through Ligand-Receptor Bonds

NARCIS (Netherlands)

Song, Lei; Sjollema, Jelmer; Norde, Willem; Busscher, Henk J.; van der Mei, Henny C.

2015-01-01

Bacteria adhering to surfaces exhibit nanoscopic vibrations that depend on the viscoelasticity of the bond. The quantification of the nanoscopic vibrations of bacteria adhering to surfaces provides new opportunities to better understand the properties of the bond through which bacteria adhere and

Anisotropic Formation of Quantum Turbulence Generated by a Vibrating Wire in Superfluid {}4{He}

Science.gov (United States)

Yano, H.; Ogawa, K.; Chiba, Y.; Obara, K.; Ishikawa, O.

2017-06-01

To investigate the formation of quantum turbulence in superfluid {}4{He}, we have studied the emission of vortex rings with a ring size of larger than 38 μm in diameter from turbulence generated by a vibrating wire. The emission rate of vortex rings from a turbulent region remains low until the beginning of high-rate emissions, suggesting that some of the vortex lines produced by the wire combine to form a vortex tangle, until an equilibrium is established between the rate of vortex line combination with the tangle and dissociation. The formation times of equilibrium turbulence are proportional to ɛ ^{-1.2} and ɛ ^{-0.6} in the directions perpendicular and parallel to the vibrating direction of the generator, respectively, indicating the anisotropic formation of turbulence. Here, ɛ is the generation power of the turbulence. This power dependence may be associated with the characteristics of quantum turbulence with a constant energy flux.

Investigation on cold-drawn gold bonding wire with serial and reverse-direction drawing

International Nuclear Information System (INIS)

Cho, Jae-Hyung; Rollett, A.D.; Cho, J.-S.; Park, Y.-J.; Park, S.-H.; Oh, K.H.

2006-01-01

Gold bonding wires have been manufactured through multiple drawing steps with serial and reverse-direction drawing. The texture and microstructure of the gold bonding wires were characterized with X-ray diffraction and EBSD and compared with the predictions of finite element (FE) simulation. Initial fiber decreases during drawing and is replaced by fiber. The oriented grains are concentrated in the center and surface regions, whereas the oriented grains are located throughout the cross-section of the wire. Regions near the surface often exhibit the complex textures. A simplified forward and backward drawing process was modeled by FE analysis with ABAQUS/Standard TM . The simple two-step drawing process results in severe variation in shear strain under the surface and displays the opposite behavior in the shear components of the deformation gradient. The texture evolution was predicted using the deformation gradient calculated in the FE simulations together with a model of polycrystal plasticity. The and fibers are predicted to develop in the center part of the wire where homogeneous deformation occurs. The regions near the surface that experience repeated shear strain exhibit complex textures that deviate from the standard and fibers. The {1 1 2} and {1 1 1} components are prevalent in the higher shear strain regions. The variations of the anisotropic elastic directional moduli with position were also calculated

Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of a biomolecule: 5-Hydroxymethyluracil

Science.gov (United States)

Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih

2014-06-01

In the present work, the experimental and theoretical vibrational spectra of 5-hydroxymethyluracil were investigated. The FT-IR (4000-400 cm-1) spectrum of the molecule in the solid phase was recorded. The geometric parameters (bond lengths and bond angles), vibrational frequencies, Infrared intensities of the title molecule in the ground state were calculated using density functional B3LYP and M06-2X methods with the 6-311++G(d,p) basis set for the first time. The optimized geometric parameters and theoretical vibrational frequencies were found to be in good agreement with the corresponding experimental data, and with the results found in the literature. The vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of 5-hydroxymethyluracil molecule was also simulated to evaluate the effect of intermolecular hydrogen bonding on its vibrational frequencies. It was observed that the Nsbnd H stretching modes shifted to lower frequencies, while its in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular Nsbnd H⋯O hydrogen bond. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies and diagrams were presented.

Raman spectroscopy as a tool to investigate the structure and electronic properties of carbon-atom wires

Directory of Open Access Journals (Sweden)

Alberto Milani

2015-02-01

Full Text Available Graphene, nanotubes and other carbon nanostructures have shown potential as candidates for advanced technological applications due to the different coordination of carbon atoms and to the possibility of π-conjugation. In this context, atomic-scale wires comprised of sp-hybridized carbon atoms represent ideal 1D systems to potentially downscale devices to the atomic level. Carbon-atom wires (CAWs can be arranged in two possible structures: a sequence of double bonds (cumulenes, resulting in a 1D metal, or an alternating sequence of single–triple bonds (polyynes, expected to show semiconducting properties. The electronic and optical properties of CAWs can be finely tuned by controlling the wire length (i.e., the number of carbon atoms and the type of termination (e.g., atom, molecular group or nanostructure. Although linear, sp-hybridized carbon systems are still considered elusive and unstable materials, a number of nanostructures consisting of sp-carbon wires have been produced and characterized to date. In this short review, we present the main CAW synthesis techniques and stabilization strategies and we discuss the current status of the understanding of their structural, electronic and vibrational properties with particular attention to how these properties are related to one another. We focus on the use of vibrational spectroscopy to provide information on the structural and electronic properties of the system (e.g., determination of wire length. Moreover, by employing Raman spectroscopy and surface enhanced Raman scattering in combination with the support of first principles calculations, we show that a detailed understanding of the charge transfer between CAWs and metal nanoparticles may open the possibility to tune the electronic structure from alternating to equalized bonds.

submitter Dynamical Models of a Wire Scanner

CERN Document Server

Barjau, Ana; Dehning, Bernd

2016-01-01

The accuracy of the beam profile measurements achievable by the current wire scanners at CERN is limited by the vibrations of their mechanical parts. In particular, the vibrations of the carbon wire represent the major source of wire position uncertainty which limits the beam profile measurement accuracy. In the coming years, due to the Large Hadron Collider (LHC) luminosity upgrade, a wire traveling speed up to 20 $m s^{−1}$ and a position measurement accuracy of the order of 1 μm will be required. A new wire scanner design based on the understanding of the wire vibration origin is therefore needed. We present the models developed to understand the main causes of the wire vibrations observed in an existing wire scanner. The development and tuning of those models are based on measurements and tests performed on that CERN proton synchrotron (PS) scanner. The final model for the (wire + fork) system has six degrees-of-freedom (DOF). The wire equations contain three different excitation terms: inertia...

Biofilm formation on stainless steel and gold wires for bonded retainers in vitro and in vivo and their susceptibility to oral antimicrobials.

Science.gov (United States)

Jongsma, Marije A; Pelser, Floris D H; van der Mei, Henny C; Atema-Smit, Jelly; van de Belt-Gritter, Betsy; Busscher, Henk J; Ren, Yijin

2013-05-01

Bonded retainers are used in orthodontics to maintain treatment result. Retention wires are prone to biofilm formation and cause gingival recession, bleeding on probing and increased pocket depths near bonded retainers. In this study, we compare in vitro and in vivo biofilm formation on different wires used for bonded retainers and the susceptibility of in vitro biofilms to oral antimicrobials. Orthodontic wires were exposed to saliva, and in vitro biofilm formation was evaluated using plate counting and live/dead staining, together with effects of exposure to toothpaste slurry alone or followed by antimicrobial mouthrinse application. Wires were also placed intra-orally for 72 h in human volunteers and undisturbed biofilm formation was compared by plate counting and live/dead staining, as well as by denaturing gradient gel electrophoresis for compositional differences in biofilms. Single-strand wires attracted only slightly less biofilm in vitro than multi-strand wires. Biofilms on stainless steel single-strand wires however, were much more susceptible to antimicrobials from toothpaste slurries and mouthrinses than on single-strand gold wires and biofilms on multi-strand wires. Also, in vivo significantly less biofilm was found on single-strand than on multi-strand wires. Microbial composition of biofilms was more dependent on the volunteer involved than on wire type. Biofilms on single-strand stainless steel wires attract less biofilm in vitro and are more susceptible to antimicrobials than on multi-strand wires. Also in vivo, single-strand wires attract less biofilm than multi-strand ones. Use of single-strand wires is preferred over multi-strand wires, not because they attract less biofilm, but because biofilms on single-strand wires are not protected against antimicrobials as in crevices and niches as on multi-strand wires.

Nano features of Al/Au ultrasonic bond interface observed by high resolution transmission electron microscopy

International Nuclear Information System (INIS)

Ji Hongjun; Li Mingyu; Kim, Jong-Myung; Kim, Dae-Won; Wang Chunqing

2008-01-01

Nano-scale interfacial details of ultrasonic AlSi1 wire wedge bonding to a Au/Ni/Cu pad were investigated using high resolution transmission electron microscopy (HRTEM). The intermetallic phase Au 8 Al 3 formed locally due to diffusion and reaction activated by ultrasound at the Al/Au bond interface. Multilayer sub-interfaces roughly parallel to the wire/pad interface were observed among this phase, and interdiffusional features near the Au pad resembled interference patterns, alternately dark and bright bars. Solid-state diffusion theory cannot be used to explain why such a thick compound formed within milliseconds at room temperature. The major formation of metallurgical bonds was attributed to ultrasonic cyclic vibration

Wire Bonding on 2S Modules of the Phase-2 CMS Detector

CERN Document Server

AUTHOR|(CDS)2226525; Pooth, Oliver

The LHC will be upgraded to the HL-LHC in the Long Shutdown 3 starting 2024. This upgrade will increase the collision rate and the overall number of colliding particles requiring high precision particle detectors which are able to cope with much higher radiation doses and numbers of particle interactions per bunch crossing. To fulfill these technical requirements the CMS detector will be upgraded in the so-called Phase-2 Upgrade. Among others the silicon tracking system will be completely replaced by a new system providing a higher acceptance, an improved granularity and the feature to include its tracking information into the level-1 trigger. The new outer-tracker will consist of so called 2S modules consisting of two strip sensors and PS modules with a macro-pixel sensor and a strip sensor. The electrical connection between the strip sensors and the front-end electronics is realized by thin aluminum wire bonds. In this thesis the process of wire bonding is introduced and its implementation in the 2S module ...

Long-term effectiveness of canine-to-canine bonded flexible spiral wire lingual retainers

NARCIS (Netherlands)

Renkema, Anne-Marie; Renkema, Alianne; Bronkhorst, Ewald; Katsaros, Christos

Introduction: The flexible spiral wire (FSW) canine-to-canine lingual retainer bonded to all 6 anterior teeth is a frequently used type of mandibular fixed retainer. This study aimed to assess the long-term effectiveness of FSW canine-to-canine lingual retainers in maintaining the alignment of the

Long-term effectiveness of canine-to-canine bonded flexible spiral wire lingual retainers

NARCIS (Netherlands)

Renkema, A.M.; Bronkhorst, E.M.; Katsaros, C.

2011-01-01

INTRODUCTION: The flexible spiral wire (FSW) canine-to-canine lingual retainer bonded to all 6 anterior teeth is a frequently used type of mandibular fixed retainer. This study aimed to assess the long-term effectiveness of FSW canine-to-canine lingual retainers in maintaining the alignment of the

Vibrational characteristics of FRP-bonded concrete interfacial defects in a low frequency regime

Science.gov (United States)

Cheng, Tin Kei; Lau, Denvid

2014-04-01

As externally bonded fiber-reinforced polymer (FRP) is a critical load-bearing component of strengthened or retrofitted civil infrastructures, the betterment of structural health monitoring (SHM) methodology for such composites is imperative. Henceforth the vibrational characteristics of near surface interfacial defects involving delamination and trapped air pockets at the FRP-concrete interface are investigated in this study using a finite element approach. Intuitively, due to its lower interfacial stiffness compared with an intact interface, a damaged region is expected to have a set of resonance frequencies different from an intact region when excited by acoustic waves. It has been observed that, when excited acoustically, both the vibrational amplitudes and frequency peaks in the response spectrum of the defects demonstrate a significant deviation from an intact FRP-bonded region. For a thin sheet of FRP bonded to concrete with sizable interfacial defects, the fundamental mode under free vibration is shown to be relatively low, in the order of kHz. Due to the low resonance frequencies of the defects, the use of low-cost equipment for interfacial defect detection via response spectrum analysis is highly feasible.

Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes.

Science.gov (United States)

Dey, Arghya; Mondal, Sohidul Islam; Sen, Saumik; Ghosh, Debashree; Patwari, G Naresh

2014-12-14

The red-shifts in the acetylenic C-H stretching vibration of C-H∙∙∙X (X = O, N) hydrogen-bonded complexes increase with an increase in the basicity of the Lewis base. Analysis of various components of stabilization energy suggests that the observed red-shifts are correlated with the electrostatic component of the stabilization energy, while the dispersion modulates the stabilization energy.

Optimum driving of magnetostrictive amorphous wire micro-motor

International Nuclear Information System (INIS)

Takezawa, Masaaki; Ishizaki, Yuichi; Honda, Takashi; Yamasaki, Jiro

2004-01-01

Characteristics of a magnetostrictive vibration micro-motor were investigated in relation to a supporting position of a magnetostrictive amorphous wire for optimization of the motor. It was found that a vibration of the wire resembled a vibration mode of both ends free and a maximum rotational speed was obtained by supporting the nodes of vibration

Vibrational Spectroscopy of Intramolecular Hydrogen Bonds in the Infrared and Near-Infrared Regions

DEFF Research Database (Denmark)

Schrøder, Sidsel Dahl

and 1,4-diaminobutane). Experimentally, the hydrogen bonds have been studied with vibrational spectroscopy in the infrared and near-infrared regions. The focus is primarily on spectra recorded in the near-infrared regions, which in these studies are dominated by O-H and N-H stretching overtones....... Overtone spectra have been recorded with intracavity laser photoacoustic laser spectroscopy and conventional long path absorption spectroscopy. Theoretically, a combination of electronic structure calculations and local mode models have been employed to guide the assignment of bands in the vibrational......,4-diaminobutane, no sign of intramolecular N-H···N hydrogen bonds were identified in the overtone spectra. However, theoretical analyzes indicate that intramolecular N-H···N hydrogen bonds are present in all three diamines if two hydrogen atoms on one of the methylene groups are substituted with triuoromethyl...

Theoretical study of the changes in the vibrational characteristics arising from the hydrogen bonding between Vitamin C ( L-ascorbic acid) and H 2O

Science.gov (United States)

Dimitrova, Yordanka

2006-02-01

The vibrational characteristics (vibrational frequencies, infrared intensities and Raman activities) for the hydrogen-bonded system of Vitamin C ( L-ascorbic acid) with five water molecules have been predicted using ab initio SCF/6-31G(d, p) calculations and DFT (BLYP) calculations with 6-31G(d, p) and 6-31++G(d, p) basis sets. The changes in the vibrational characteristics from free monomers to a complex have been calculated. The ab initio and BLYP calculations show that the complexation between Vitamin C and five water molecules leads to large red shifts of the stretching vibrations for the monomer bonds involved in the hydrogen bonding and very strong increase in their IR intensity. The predicted frequency shifts for the stretching vibrations from Vitamin C taking part in the hydrogen bonding are up to -508 cm -1. The magnitude of the wavenumber shifts is indicative of relatively strong OH···H hydrogen-bonded interactions. In the same time the IR intensity and Raman activity of these vibrations increase upon complexation. The IR intensity increases dramatically (up to 12 times) and Raman activity increases up to three times. The ab initio and BLYP calculations show, that the symmetric OH vibrations of water molecules are more sensitive to the complexation. The hydrogen bonding leads to very large red shifts of these vibrations and very strong increase in their IR intensity. The asymmetric OH stretching vibrations of water, free from hydrogen bonding are less sensitive to the complexation than the hydrogen-bonded symmetric O sbnd H stretching vibrations. The increases of the IR intensities for these vibrations are lower and red shifts are negligible.

Novel electrochemical approach to study corrosion mechanism of Al-Au wire-bond pad interconnections

DEFF Research Database (Denmark)

Elisseeva, O. V.; Bruhn, A.; Cerezo, J.

2013-01-01

A gold-aluminium material combination is typically employed as an interconnection for microelectronic devices. One of the reliability risks of such devices is that of corrosion of aluminium bond pads resulting from the galvanic coupling between an aluminium bond pad and a gold wire. The research...... presented in this manuscript focuses on studying bond pad corrosion by selecting an appropriate model system and a dedicated set of electrochemical and analytical experimental tools. Taking into account the complex three-dimensional structure and the small dimensions of Au-Al interconnections (around 50......-100 μm), a dedicated and novel experimental approach was developed. Au-Al covered silicon chips were developed under clean room conditions. Three-dimensional electrodes were mimicked as flat, two-dimensional bond pad model systems, allowing the use of microelectrochemical local probe techniques. Thin...

Adhesive Properties of Bonded Orthodontic Retainers to Enamel : Stainless Steel Wire vs Fiber-reinforced Composites

NARCIS (Netherlands)

Foek, Dave Lie Sam; Krebs, Eliza; Sandham, John; Ozcan, Mutlu

2009-01-01

Purpose: The objectives of this study were to compare the bond strength of a stainless steel orthodontic wire vs various fiber-reinforced composites (FRC) used as orthodontic retainers on enamel, analyze the failure types after debonding, and investigate the influence of different application

Experimental Investigations on the Dynamic Behaviour of O-Type Wire-Cable Vibration Isolators

Directory of Open Access Journals (Sweden)

Hong-Xia Wang

2015-01-01

Full Text Available A series of periodic loading experiments were carried out on the O-type wire-cable vibration isolators. The isolators were loaded under shear, roll, and tension-compression loadings. When subjected to shear and roll loads, the restoring force-deformation curves generated by the isolators formed symmetric hysteresis loops. However, when the isolators were loaded with tension-compression loads, the isolator produced asymmetric hysteresis loops. It is found through the experiment that the dynamic characteristics of the isolator are determined by the loading amplitude as well as the geometric parameters of the isolator while they are almost independent of loading frequency within the testing frequency range. Based on the experimental data, the dynamic response of the isolator was modeled by a modified normalized Bouc-Wen model. The parameters of this model were identified through an identification procedure that does not involve any nonlinear iterative algorithms. Comparison between the identification results and the experimental data suggests that the identification method is effective. With the model and the identified parameters, the frequency response of an O-type wire-cable vibration isolator-mass system was evaluated. Typical nonlinear response behaviors were found when the isolator was used in tension-compression mode while the response appears to be similar to that of a linear system when the isolator was used in shear and roll mode.

Structure, vibrations, and hydrogen bond parameters of dibenzotetraaza[14]annulene

Science.gov (United States)

Gawinkowski, S.; Eilmes, J.; Waluk, J.

2010-07-01

Geometry and vibrational structure of dibenzo[ b, i][1,4,8,11]tetraaza[14]annulene (TAA) have been studied using infrared and Raman spectroscopy combined with quantum-chemical calculations. The assignments were proposed for 106 out of the total of 108 TAA vibrations, based on comparison of the theoretical predictions with the experimental data obtained for the parent molecule and its isotopomer in which the NH protons were replaced by deuterons. Reassignments were suggesteded for the NH stretching and out-of-plane vibrations. The values of the parameters of the intramolecular NH⋯N hydrogen bonds were analysed in comparison with the corresponding data for porphyrin and porphycene, molecules with the same structural motif, a cavity composed of four nitrogen atoms and two inner protons. Both experiment and calculations suggest that the molecule of TAA is not planar and is present in a trans tautomeric form, with the protons located on the opposite nitrogen atoms.

Sensitive and simple method for measuring wire tensions

International Nuclear Information System (INIS)

Atac, M.; Mishina, M.

1982-08-01

Measuring tension of wires in drift chambers and multiwire proportional chambers after construction is an important process because sometimes wires get loose after soldering, crimping or glueing. One needs to sort out wires which have tensions below a required minimum value to prevent electrostatic instabilities. There have been several methods reported on this subject in which the wires were excited either with sinusoidal current under magnetic field or with sinusoidal voltage electrostatically coupled to the wire, searching for a resonating frequency with which the wires vibrate mechanically. Then the vibration is detected either visually, optically or with magnetic pick-up directly touching the wires. Any of these is only applicable to the usual multiwire chamber which has open access to the wire plane. They also need fairly large excitation currents to induce a detectable vibration to the wires. Here we report a very simple method that can be used for any type of wire chamber or proportional tube system for measuring wire tension. Only a very small current is required for the wire excitation to obtain a large enough signal because it detects the induced emf voltage across a wire. A sine-wave oscillator and a digital voltmeter are sufficient devices aside from a permanent magnet to provide the magnetic field around the wire. A useful application of this method to a large system is suggested

Oxidation study on as-bonded intermetallic of copper wire-aluminum bond pad metallization for electronic microchip

Energy Technology Data Exchange (ETDEWEB)

Joseph Sahaya Anand, T., E-mail: anand@utem.edu.my [Faculty of Manufacturing Engineering, University Technical Malaysia Melaka, Hang Tuah Jaya, 76100 Durian Tunggal, Melaka (Malaysia); Yau, Chua Kok [Faculty of Manufacturing Engineering, University Technical Malaysia Melaka, Hang Tuah Jaya, 76100 Durian Tunggal, Melaka (Malaysia); University of Technical Malaysia Supported by Infineon Technology - Malaysia - Sdn. Bhd., Melaka (Malaysia); Huat, Lim Boon [Department of Innovation, Infineon Technology - Malaysia - Sdn. Bhd., FTZ Batu Berendam, 75350 Melaka (Malaysia)

2012-10-15

In this work, influence of Copper free air ball (FAB) oxidation towards Intermetallic Compound (IMC) at Copper wire-Aluminum bond pad metallization (Cu/Al) is studied. Samples are synthesized with different Copper FAB oxidation condition by turning Forming Gas supply ON and OFF. Studies are performed using Optical Microscope (OM), Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM) and line-scan Energy Dispersive X-ray (EDX). SEM result shows there is a cross-sectional position offset from center in sample synthesized with Forming Gas OFF. This is due to difficulty of determining the position of cross-section in manual grinding/polishing process and high occurrence rate of golf-clubbed shape of oxidized Copper ball bond. TEM inspection reveals that the Copper ball bond on sample synthesized with Forming Gas OFF is having intermediate oxidation. Besides, the presence of IMC at the bonding interface of Cu/Al for both samples is seen. TEM study shows voids form at the bonding interface of Forming Gas ON sample belongs to unbonded area; while that in Forming Gas OFF sample is due to volume shrinkage of IMC growth. Line-scan EDX shows the phases present in the interfaces of as-bonded samples are Al{sub 4}Cu{sub 9} ({approx}3 nm) for sample with Forming Gas ON and mixed CuAl and CuAl{sub 2} ({approx}15 nm) for sample with Forming Gas OFF. Thicker IMC in sample with Forming Gas OFF is due to cross-section is positioned at high stress area that is close to edge of ball bond. Mechanical ball shear test shows that shear strength of sample with Forming Gas OFF is about 19% lower than that of sample with Forming Gas ON. Interface temperature is estimated at 437 Degree-Sign C for as-bonded sample with Forming Gas ON by using empirical parabolic law of volume diffusion. -- Highlights: Black-Right-Pointing-Pointer 3 nm Al{sub 4}Cu{sub 9} are found in sample prepared with Forming Gas ON. Black-Right-Pointing-Pointer 15 nm mixed CuAl + CuAl{sub 2} are found

A vibrating wire parallel to a high temperature superconducting slab. Vol. 2

Energy Technology Data Exchange (ETDEWEB)

Saif, A G; El-sabagh, M A [Department of Mathematic and Theoretical physics, Nuclear Research Center, Atomic Energy Authority, Cairo (Egypt)

1996-03-01

The power losses problem for an idealized high temperature type II superconducting system of a simple geometry is studied. This system is composed of a vibrating normal conducting wire (two wires) carrying a direct current parallel to an uniaxial anisotropic type II superconducting slab (moving slab). First, the electromagnetic equation governing the dynamics of this system, and its solutions are obtained. Secondly, a modified anisotropic london equation is developed to study these systems in the case of the slab moving. Thirdly, it is found that, the power losses is dependent on the frequency, london penetration depth, permeability, conductivity, velocity, and the distance between the normal conductors and the surfaces of the superconducting slab. Moreover, the power losses decreases as the distance between the normal conductors and the surface of the superconducting slab decreases; and increases as the frequency, the london penetration depth, permeability, conductivity, and velocity are increased. These losses along the versor of the anisotropy axis is increased as {lambda}{sub |}| increases. Moreover, it is greater than the power losses along the crystal symmetry direction. In the isotropic case as well as the slab thickness tends to infinity, agreement with previous results are obtained. 2 figs.

New approach for calibration and interpretation of IRAD GAGE vibrating-wire stressmeters

International Nuclear Information System (INIS)

Mao, N.

1986-05-01

IRAD GAGE vibrating-wire stressmeters were installed in the Spent Fuel Facility at the Nevada Test Site to measure the change in in-situ stress during the Spent Fuel Test-Climax (SFT-C). This paper discusses the results of removing a cylindrical section of rock and gages as a unit through overcoring, and the subsequent post-test calibration of the stressmeters in the laboratory. The estimated in-situ stresses based on post test calibration data are quite consistent with those directly measured in nearby holes. The magnitude of stress change calculated from pre-test calibration data is generally much smaller than that estimated from post test calibration data. 11 refs., 5 figs., 2 tabs

Biofilm formation on stainless steel and gold wires for bonded retainers in vitro and in vivo and their susceptibility to oral antimicrobials

NARCIS (Netherlands)

Jongsma, Marije A.; Pelser, Floris D. H.; van der Mei, Henny C.; Atema-Smit, Jelly; van de Belt-Gritter, Betsy; Busscher, Henk J.; Ren, Yijin

OBJECTIVE: Bonded retainers are used in orthodontics to maintain treatment result. Retention wires are prone to biofilm formation and cause gingival recession, bleeding on probing and increased pocket depths near bonded retainers. In this study, we compare in vitro and in vivo biofilm formation on

Piezoelectric Shunt Vibration Damping of F-15 Panel under High Acoustic Excitation

Science.gov (United States)

Wu, Shu-Yau; Turner, Travis L.; Rizzi, Stephen A.

2000-01-01

At last year's SPIE symposium, we reported results of an experiment on structural vibration damping of an F-15 underbelly panel using piezoelectric shunting with five bonded PZT transducers. The panel vibration was induced with an acoustic speaker at an overall sound pressure level (OASPL) of about 90 dB. Amplitude reductions of 13.45 and 10.72 dB were achieved for the first and second modes, respectively, using single- and multiple-mode shunting. It is the purpose of this investigation to extend the passive piezoelectric shunt-damping technique to control structural vibration induced at higher acoustic excitation levels, and to examine the controllability and survivability of the bonded PZT transducers at these high levels. The shunting experiment was performed with the Thermal Acoustic Fatigue Apparatus (TAFA) at the NASA Langley Research Center using the same F-15 underbelly panel. The TAFA is a progressive wave tube facility. The panel was mounted in one wall of the TAFA test section using a specially designed mounting fixture such that the panel was subjected to grazing-incidence acoustic excitation. Five PZT transducers were used with two shunt circuits designed to control the first and second modes of the structure between 200 and 400 Hz. We first determined the values of the shunt inductance and resistance at an OASPL of 130 dB. These values were maintained while we gradually increased the OASPL from 130 to 154 dB in 6-dB steps. During each increment, the frequency response function between accelerometers on the panel and the acoustic excitation measured by microphones, before and after shunting, were recorded. Good response reduction was observed up to the 148dB level. The experiment was stopped at 154 dB due to wire breakage from vibration at a transducer wire joint. The PZT transducers, however, were still bonded well on the panel and survived at this high dB level. We also observed shifting of the frequency peaks toward lower frequency when the OASPL

A fence with several safety wires with alarm equipment

International Nuclear Information System (INIS)

Osterburg, G.

1977-01-01

The patent claim concerns a safety arrangement for objects in the open against unauthorised interference. A fence provided with several safety wires is used for this purpose. Each wire has a piezo-electric transmitter at one end, and has a piezo-electric receiver at the other end, which converts the mechanical vibrations into electrical signals. The piezo-electric receiver is connected via an amplifier to the piezo-electric transmitter of the next wire, which initiates the latter to produce mechanical vibrations and so on, until the transmitter of the first wire is reached again, so that a closed feed-back loop is formed. An electronic evaluation circuit is connected between one of the amplfiers and the subsequent transmitter, which on loss of vibration due to touching, hold. (ORU) [de

The effect of prior sandblasting of the wire on the shear bond strength of two different types of lingual retainers.

Science.gov (United States)

Kilinç, Delal Dara; Sayar, Gülşilay

2018-04-07

The aim of this study was to evaluate the effect of total surface sandblasting on the shear bond strength of two different retainer wires. The null hypothesis was that there is no difference in the bond strength of the two types of lingual retainer wires when they are sandblasted. One hundred and sixty human premolar teeth were equally divided into four groups (n=40). A pair of teeth was embedded in self-curing acrylic resin and polished. Retainer wires were applied on the etched and rinsed surfaces of the teeth. Four retainers were used: group 1: braided retainer (0.010×0.028″, Ortho Technology); group 2: sandblasted braided retainer (0.010×0.028″, Ortho Technology); group 3: coaxial retainer (0.0215″ Coaxial, 3M) and group 4: sandblasted coaxial retainer (0.0215″ Coaxial, 3M). The specimens were tested using a universal test machine in shear mode with a crosshead speed of one mm/min. One-way analysis of variance (Anova) was used to determine the significant differences among the groups. There was no significant difference (P=0.117) among the groups according to this test. The null hypothesis was accepted. There was no statistically significant difference among the shear bond strength values of the four groups. Copyright © 2018 CEO. Published by Elsevier Masson SAS. All rights reserved.

Vibrational signatures of cation-anion hydrogen bonding in ionic liquids: a periodic density functional theory and molecular dynamics study.

Science.gov (United States)

Mondal, Anirban; Balasubramanian, Sundaram

2015-02-05

Hydrogen bonding in alkylammonium based protic ionic liquids was studied using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. Normal-mode analysis within the harmonic approximation and power spectra of velocity autocorrelation functions were used as tools to obtain the vibrational spectra in both the gas phase and the crystalline phases of these protic ionic liquids. The hydrogen bond vibrational modes were identified in the 150-240 cm(-1) region of the far-infrared (far-IR) spectra. A blue shift in the far-IR mode was observed with an increasing number of hydrogen-bonding sites on the cation; the exact peak position is modulated by the cation-anion hydrogen bond strength. Sub-100 cm(-1) bands in the far-IR spectrum are assigned to the rattling motion of the anions. Calculated NMR chemical shifts of the acidic protons in the crystalline phase of these salts also exhibit the signature of cation-anion hydrogen bonding.

IEE wiring regulations explained and illustrated

CERN Document Server

Scaddan, Brian

2013-01-01

The IEE Wiring Regulations Explained and Illustrated, Second Edition discusses the recommendations of the IEE Regulations for the Electrical Equipment of Buildings for the safe selection or erection of wiring installations. The book emphasizes earthing, bonding, protection, and circuit design of electrical wirings. The text reviews the fundamental requirements for safety, earthing systems, the earth fault loop impedance, and supplementary bonding. The book also describes the different types of protection, such as protection against mechanical damage, overcurrent, under voltage (which prevents

Bonding and vibrational dynamics of a large π-conjugated molecule on a metal surface

International Nuclear Information System (INIS)

Temirov, R; Soubatch, S; Lassise, A; Tautz, F S

2008-01-01

The interplay between the substrate bonding of a large π-conjugated semiconductor molecule and the dynamical properties of the metal-organic interface is studied, employing the prototypical PTCDA/Ag(111) monolayer as an example. Both the coupling of molecular vibrations to the electron-hole-pair continuum of the metal surface and the inelastic scattering of tunnelling electrons by the molecular vibrations on their passage through the molecule are considered. The results of both types of experiment are consistent with the findings of measurements which probe the geometric and electronic structure of the adsorbate-substrate complex directly; generally speaking, they can be understood in the framework of standard theories for the electron-vibron coupling. While the experiments reported here in fact provide additional qualitative insights into the substrate bonding of our π-conjugated model molecule, their detailed quantitative understanding would require a full calculation of the dynamical interface properties, which is currently not available

Behavior of aluminum oxide, intermetallics and voids in Cu-Al wire bonds

International Nuclear Information System (INIS)

Xu, H.; Liu, C.; Silberschmidt, V.V.; Pramana, S.S.; White, T.J.; Chen, Z.; Acoff, V.L.

2011-01-01

Nanoscale interfacial evolution in Cu-Al wire bonds during isothermal annealing from 175 deg. C to 250 deg. C was investigated by high resolution transmission electron microscopy (HRTEM). The native aluminum oxide film (∼5 nm thick) of the Al pad migrates towards the Cu ball during annealing. The formation of intermetallic compounds (IMC) is controlled by Cu diffusion, where the kinetics obey a parabolic growth law until complete consumption of the Al pad. The activation energies to initiate crystallization of CuAl 2 and Cu 9 Al 4 are 60.66 kJ mol -1 and 75.61 kJ mol -1 , respectively. During IMC development, Cu 9 Al 4 emerges as a second layer and grows together with the initial CuAl 2 . When Al is completely consumed, CuAl 2 transforms to Cu 9 Al 4 , which is the terminal product. Unlike the excessive void growth in Au-Al bonds, only a few voids nucleate in Cu-Al bonds after long-term annealing at high temperatures (e.g., 250 o C for 25 h), and their diameters are usually in the range of tens of nanometers. This is due to the lower oxidation rate and volumetric shrinkage of Cu-Al IMC compared with Au-Al IMC.

Description of pnicogen bonding with the help of vibrational spectroscopy-The missing link between theory and experiment

Science.gov (United States)

Setiawan, D.; Kraka, E.; Cremer, D.

2014-10-01

The nature of the E⋯E‧ pnicogen bond (E = N, P, As) in dimers such as H2FP⋯PH2F (1) and H3N⋯PHNO2 (2) can be described using vibrational spectroscopy in form of the calculated infrared and depolarized Raman scattering spectra. Utilizing the six calculated intermonomer frequencies, the corresponding local mode E⋯E‧ stretching frequency and force constant are obtained, where the latter provides a unique measure of the E⋯E‧ bond strength. Pnicogen bonding in 1 is relative strong (bond strength order n = 0.151) and covalent whereas pnicogen bonding in 2 is electrostatic (n = 0.047) because of a different bonding mechanism.

Thermal-hydraulic analysis for wire-wrapped PWR cores

Energy Technology Data Exchange (ETDEWEB)

Diller, P. [General Electric Company, 3901 Castle Hayne Rd., Wilmington, NC 28401 (United States)], E-mail: pdiller@gmail.com; Todreas, N. [Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)], E-mail: todreas@mit.edu; Hejzlar, P. [Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

2009-08-15

This work focuses on the steady-state and transient thermal-hydraulic analyses for PWR cores using wire wraps in a hexagonal array with either U (45% w/o)-ZrH{sub 1.6} (referred to as U-ZrH{sub 1.6}) or UO{sub 2} fuels. Equivalences (thermal-hydraulic and neutronic) were created between grid spacer and wire wrap designs, and were used to apply results calculated for grid spacers to wire wrap designs. Design limits were placed on the pressure drop, critical heat flux (CHF), fuel and cladding temperature and vibrations. The vibrations limits were imposed for flow-induced vibrations (FIV) and thermal-hydraulic vibrations (THV). The transient analysis examined an overpower accident, loss of coolant accident (LOCA) and loss of flow accident (LOFA). The thermal-hydraulic performance of U-ZrH{sub 1.6} and UO{sub 2} were found very similar. Relative to grid spacer designs, wire wrap designs were found to have smaller fretting wear, substantially lower pressure drop and higher CHF. As a result, wire wrap cores were found to offer substantially higher maximum powers than grid spacer cores, allowing for a 25% power increase relative to the grid spacer uprate [Shuffler, C.A., Malen, J.A., Trant, J.M., Todreas, N.E., 2009a. Thermal-hydraulic analysis for grid supported and inverted fueled PWR cores. Nuclear Technology (this special issue devoted to hydride fuel in LWRs)] and a 58% power increase relative to the reference core.

Hydrogen-Bonding Network and OH Stretch Vibration of Cellulose: Comparison of Computational Modeling with Polarized IR and SFG Spectra.

Science.gov (United States)

Lee, Christopher M; Kubicki, James D; Fan, Bingxin; Zhong, Linghao; Jarvis, Michael C; Kim, Seong H

2015-12-10

Hydrogen bonds play critical roles in noncovalent directional interactions determining the crystal structure of cellulose. Although diffraction studies accurately determined the coordinates of carbon and oxygen atoms in crystalline cellulose, the structural information on hydrogen atoms involved in hydrogen-bonding is still elusive. This could be complemented by vibrational spectroscopy; but the assignment of the OH stretch peaks has been controversial. In this study, we performed calculations using density functional theory with dispersion corrections (DFT-D2) for the cellulose Iβ crystal lattices with the experimentally determined carbon and oxygen coordinates. DFT-D2 calculations revealed that the OH stretch vibrations of cellulose are highly coupled and delocalized through intra- and interchain hydrogen bonds involving all OH groups in the crystal. Additionally, molecular dynamics (MD) simulations of a single cellulose microfibril showed that the conformations of OH groups exposed at the microfibril surface are not well-defined. Comparison of the computation results with the experimentally determined IR dichroism of uniaxially aligned cellulose microfibrils and the peak positions of various cellulose crystals allowed unambiguous identification of OH stretch modes observed in the vibrational spectra of cellulose.

The influence of anharmonic core vibrations in the X-ray bond charge analysis of A/sup N/B/sup 8-N/ compounds

International Nuclear Information System (INIS)

Pietsch, U.

1982-01-01

X-ray structure amplitudes of elemental and A 3 B 5 semiconductors can be described by means of spherical atomic form factors and an additional scattered particle at the position of the centre of the covalent bond between next neighbours named bond charge. For this analysis anharmonic core vibrations were neglegted. In this note the influence is estimated of anharmonic core vibrations on the total structure amplitudes of some zinc-blende compounds (GaAs, ZnSe, CuBr, InSb, and CuCl)

Modelling aluminium wire bond reliability in high power OMP devices

NARCIS (Netherlands)

Kregting, R.; Yuan, C.A.; Xiao, A.; Bruijn, F. de

2011-01-01

In a RF power application such as the OMP, the wires are subjected to high current (because of the high power) and high temperature (because of the heat from IC and joule-heating from the wire itself). Moreover, the wire shape is essential to the RF performance. Hence, the aluminium wire is

An Icepak-PSpice Co-Simulation Method to Study the Impact of Bond Wires Fatigue on the Current and Temperature Distribution of IGBT Modules under Short-Circuit

DEFF Research Database (Denmark)

Wu, Rui; Iannuzzo, Francesco; Wang, Huai

2014-01-01

Bond wires fatigue is one of the dominant failure mechanisms of IGBT modules. Prior-art research mainly focuses on its impact on the end-of-life failure, while its effect on the short-circuit capability of IGBT modules is still an open issue. This paper proposes a new electro-thermal simulation...... approach enabling analyze the impact of the bond wires fatigue on the current and temperature distribution on IGBT chip surface under short-circuit. It is based on an Icepack-PSpice co-simulation by taking the advantage of both a finite element thermal model and an advanced PSpice-based multi-cell IGBT...

Demonstrating the Effect of Particle Impact Dampers on the Random Vibration Response and Fatigue Life of Printed Wiring Assemblies

Science.gov (United States)

Knight, Brent; Montgomery, Randall; Geist, David; Hunt, Ron; LaVerde, Bruce; Towner, Robert

2013-01-01

In a recent experimental study, small Particle Impact Dampers (PID) were bonded directly to the surface of printed circuit board (PCB) or printed wiring assemblies (PWA), reducing the random vibration response and increasing the fatigue life. This study provides data verifying practicality of this approach. The measured peak strain and acceleration response of the fundamental out of plane bending mode was significantly attenuated by adding a PID device. Attenuation of this mode is most relevant to the fatigue life of a PWA because the local relative displacements between the board and the supported components, which ultimately cause fatigue failures of the electrical leads of the board-mounted components are dominated by this mode. Applying PID damping at the board-level of assembly provides mitigation with a very small mass impact, especially as compared to isolation at an avionics box or shelf level of assembly. When compared with other mitigation techniques at the PWA level (board thickness, stiffeners, constrained layer damping), a compact PID device has the additional advantage of not needing to be an integral part of the design. A PID can simply be bonded to heritage or commercial off the shelf (COTS) hardware to facilitate its use in environments beyond which it was originally qualified. Finite element analysis and test results show that the beneficial effect is not localized and that the attenuation is not due to the simple addition of mass. No significant, detrimental reduction in frequency was observed. Side-by-side life testing of damped and un-damped boards at two different thicknesses (0.070" and 0.090") has shown that the addition of a PID was much more significant to the fatigue life than increasing the thickness. High speed video, accelerometer, and strain measurements have been collected to correlate with analytical results.

New technological development of passive and active vibration control: analysis and test

Science.gov (United States)

Matsuzaki, Yuji; Ikeda, Tadashige; Boller, Christian

2005-04-01

We present a brief summary of new technical developments of passive and active vibration controls which we have performed for the last several years partly as an international collaborative R&D project on Smart Materials and Structural Systems sponsored by the Japanese Ministry of Economy, Trade and Industry. In connection with the passive damping control, shape memory alloys (SMAs) were used as damping elements. To examine the effect of damping enhancement, beams with SMA films bonded onto them or SMA wires embedded into them were made, and free damped oscillations were measured. The damping coefficient increased by more than 100% compared with the beams without SMAs. Thermodynamic behaviors of an SMA wire and film were also investigated experimentally and numerically. In active vibration control, a new concept of smart material systems was proposed. That is a partially magnetized alloy, which is stiff and strong enough as a structural element and responds sufficiently quickly as an actuator due to an electromagnetic force. A simplified experiment and numerical simulation were performed and the results showed the feasibility of the proposed smart material system using the electromagnetic force.

Development, implementation, and characterization of a standalone embedded viscosity measurement system based on the impedance spectroscopy of a vibrating wire sensor

Science.gov (United States)

Santos, José; Janeiro, Fernando M.; Ramos, Pedro M.

2015-10-01

This paper presents an embedded liquid viscosity measurement system based on a vibrating wire sensor. Although multiple viscometers based on different working principles are commercially available, there is still a market demand for a dedicated measurement system capable of performing accurate, fast measurements and requiring little or no operator training for simple systems and solution monitoring. The developed embedded system is based on a vibrating wire sensor that works by measuring the impedance response of the sensor, which depends on the viscosity and density of the liquid in which the sensor is immersed. The core of the embedded system is a digital signal processor (DSP) which controls the waveform generation and acquisitions for the measurement of the impedance frequency response. The DSP also processes the acquired waveforms and estimates the liquid viscosity. The user can interact with the measurement system through a keypad and an LCD or through a computer with a USB connection for data logging and processing. The presented system is tested on a set of viscosity standards and the estimated values are compared with the standard manufacturer specified viscosity values. A stability study of the measurement system is also performed.

Development, implementation, and characterization of a standalone embedded viscosity measurement system based on the impedance spectroscopy of a vibrating wire sensor

International Nuclear Information System (INIS)

Santos, José; Ramos, Pedro M; Janeiro, Fernando M

2015-01-01

This paper presents an embedded liquid viscosity measurement system based on a vibrating wire sensor. Although multiple viscometers based on different working principles are commercially available, there is still a market demand for a dedicated measurement system capable of performing accurate, fast measurements and requiring little or no operator training for simple systems and solution monitoring. The developed embedded system is based on a vibrating wire sensor that works by measuring the impedance response of the sensor, which depends on the viscosity and density of the liquid in which the sensor is immersed. The core of the embedded system is a digital signal processor (DSP) which controls the waveform generation and acquisitions for the measurement of the impedance frequency response. The DSP also processes the acquired waveforms and estimates the liquid viscosity. The user can interact with the measurement system through a keypad and an LCD or through a computer with a USB connection for data logging and processing. The presented system is tested on a set of viscosity standards and the estimated values are compared with the standard manufacturer specified viscosity values. A stability study of the measurement system is also performed. (paper)

Vibrational study and Natural Bond Orbital analysis of serotonin in monomer and dimer states by density functional theory

Science.gov (United States)

Borah, Mukunda Madhab; Devi, Th. Gomti

2018-06-01

The vibrational spectral analysis of Serotonin and its dimer were carried out using the Fourier Transform Infrared (FTIR) and Raman techniques. The equilibrium geometrical parameters, harmonic vibrational wavenumbers, Frontier orbitals, Mulliken atomic charges, Natural Bond orbitals, first order hyperpolarizability and some optimized energy parameters were computed by density functional theory with 6-31G(d,p) basis set. The detailed analysis of the vibrational spectra have been carried out by computing Potential Energy Distribution (PED, %) with the help of Vibrational Energy Distribution Analysis (VEDA) program. The second order delocalization energies E(2) confirms the occurrence of intramolecular Charge Transfer (ICT) within the molecule. The computed wavenumbers of Serotonin monomer and dimer were found in good agreement with the experimental Raman and IR values.

A study on the flow induced vibration in two phase flow under heating and non-heating conditions

International Nuclear Information System (INIS)

Kim, Dae Hun

2007-02-01

Critical heat flux (CHF) enhancement devices, like a spacer grid with mixing vane, cause flow-induced vibration (FIV) due to turbulence made by structural resistance. CHF enhancement and FIV reduction are usually studied separately. The main purpose of this article is to investigate the relationship between CHF and FIV. Information of flow-induced vibration due to wire coil design, is experimentally presented in this study by detecting flow-induced vibration under the two-phase flow condition with wire coil inserts. CHF experiments were performed in an upward vertical annulus tube under controlled vibration conditions to determine the effect of vibration on CHF. FIV was measured in an upward vertical tube with various wire coil inserts using air-water as flow material. CHF experiments were performed at one atmosphere with mechanically controlled vibration. A quartz tube (inner diameter of 17 mm, thickness of 2mm and length of 0.72 m) was used for outer tube and a SUS-304 tube (outer diameter of 6.35 mm, thickness of 0.89 mm and length of 0.7 m) was used for the inner heater. Vibration of the heater tube with an amplitude range of 0.1 mm to 0.5 mm and a frequency range of 10 Hz to 50 Hz was carried out at a mass flux of 115 kg/m 2 s and 215 kg/m 2 s. CHF was enhanced by vibration with a maximum ratio of 16.4 %. CHF was increased with increased amplitude and quality. The CHF correlation was developed with R (coefficient of correlation) of 0.903. FIV measuring experiments were performed at one atmosphere by changing the inserted wire coil type. An acrylic tube was used for the test section with inner diameter of 25 mm, thickness of 10 mm and length of 0.5 m. Four types of wire coil, which have a thickness of between 2 mm and 3 mm and pitch length of between 25 mm and 50 mm, were used. FIV and dynamic pressure were detected in water mass flux range of 100 ∼ 3060 kg/m 2 s and air mass flux range of 5.02 ∼ 60.3 kg/m 2 s. Vibration increased along with mass flux and

Dispersion-corrected first-principles calculation of terahertz vibration, and evidence for weak hydrogen bond formation

Science.gov (United States)

Takahashi, Masae; Ishikawa, Yoichi; Ito, Hiromasa

2013-03-01

A weak hydrogen bond (WHB) such as CH-O is very important for the structure, function, and dynamics in a chemical and biological system WHB stretching vibration is in a terahertz (THz) frequency region Very recently, the reasonable performance of dispersion-corrected first-principles to WHB has been proven. In this lecture, we report dispersion-corrected first-principles calculation of the vibrational absorption of some organic crystals, and low-temperature THz spectral measurement, in order to clarify WHB stretching vibration. The THz frequency calculation of a WHB crystal has extremely improved by dispersion correction. Moreover, the discrepancy in frequency between an experiment and calculation and is 10 1/cm or less. Dispersion correction is especially effective for intermolecular mode. The very sharp peak appearing at 4 K is assigned to the intermolecular translational mode that corresponds to WHB stretching vibration. It is difficult to detect and control the WHB formation in a crystal because the binding energy is very small. With the help of the latest intense development of experimental and theoretical technique and its careful use, we reveal solid-state WHB stretching vibration as evidence for the WHB formation that differs in respective WHB networks The research was supported by the Ministry of Education, Culture, Sports, Science and Technology of Japan (Grant No. 22550003).

Raman study of InAs/InP quantum wires

Science.gov (United States)

Angelova, T.; Cros, A.; Cantarero, A.; Fuster, D.; González, Y.; González, L.

2007-04-01

We present a Raman study of the vibrational modes in InAs/InP (001) quantum wires. The energy of the observed phonon modes evidences the confinement properties of the wires, their strain anisotropy and the effect of atomic intermixing. Resonance effects in confined and interface phonons are discussed for excitation in the vicinity of the E1 critical point. The observed vibrations and their variation with sample characteristics are in agreement with the conclusions of previous structural and optical characterization performed in the same samples.

Study on pivot-point vibration of molecular bond-rupture events by quartz crystal microbalance for biomedical diagnostics.

Science.gov (United States)

Yuan, Yong J; Jia, Renjie

2012-01-01

Bond-rupture scanning for biomedical diagnostics is examined using quartz crystal microbalance (QCM) experiments and microparticle mechanics modeling calculations. Specific and nonspecific interactions between a microparticle and its binding QCM surface can be distinguished by gradually increasing the amplitude of driving voltage applied to QCM and monitoring its frequency changes. This research proposes a mechanical model of interactions between biological molecules and a QCM substrate surface. The mechanical force required to break a biotin-streptavidin bond was calculated through a one-pivot-point bottom-up vibration model. The bond-rupture force increases with an increase of the microparticle radius, the QCM resonant frequency, and the amplitude of driving voltage applied to the QCM. The significance of the research on biological molecular bond rupture is extremely important in characterizing microbial (such as cells and virus) specificity, due to the force magnitude needed to break bonds using a transducer.

Probing electron density of H-bonding between cation-anion of imidazolium-based ionic liquids with different anions by vibrational spectroscopy.

Science.gov (United States)

Gao, Yan; Zhang, Liqun; Wang, Yong; Li, Haoran

2010-03-04

Attenuated total reflection infrared spectroscopy and density functional theory calculation have been employed to study the spectral properties of imidazolium-based ionic liquids (ILs) with different anions. ILs based on 1-butyl-3-methylimidazolium cation with different anions, OH(-), CF(3)CO(2)(-), HSO(4)(-), H(2)PO(4)(-), Cl(-), PF(6)(-), and BF(4)(-), are investigated in the present work. It has been shown that the C(2)-H stretching vibration of the imidazolium ring is closely related to the electron density of H-bonding between the two closest cations and anions for pure ILs. The electron density of H-bonding between cation and anion with different anions decreases in the order [OH](-) > [H(2)PO(4)](-) > [HSO(4)](-) > [CF(3)CO(2)](-) > [Cl](-) > [BF(4)](-) > [PF(6)](-). For aqueous ILs, with increasing water content, the aromatic C-H stretching vibration of the imidazolium cation showed systematic blue-shifts. Especially for BmimOH, the nu(C(2))(-H) undergoes a drastic blue-shift by 58 cm(-1), suggesting that the formation of the strong hydrogen bonds O-H...O may greatly weaken the electron density of H-bonding between the cation and anion of ILs.

Resistance microwelding of 316L stainless steel wire to block

DEFF Research Database (Denmark)

Friis, Kasper Storgaard; Khan, M.I.; Bay, Niels

2011-01-01

The excellent corrosion resistance of low carbon vacuum melted 316 stainless steel coupled with its non-magnetic properties makes it ideal for biomedical applications. The typical joint geometry for microcomponents, such as medical implants, includes joining of fine wire to a larger block. However......, this type of joint has received little attention in the current literature. The present study was conducted to examine the microstructure and mechanical properties of low carbon vacuum melted 316 stainless steel wire welded to a larger block. Results revealed solid state bonding occurring at low currents......, while fusion bonding occurred at higher currents. This was due to the highly asymmetrical heat generation resulting in almost complete melting of the wire before the initiation of interfacial melting. This is a distinctly different bonding mechanism compared to previous studies on crossed wire joints....

On the intermolecular vibrational coupling, hydrogen bonding, and librational freedom of water in the hydration shell of mono- and bivalent anions.

Science.gov (United States)

Ahmed, Mohammed; Namboodiri, V; Singh, Ajay K; Mondal, Jahur A

2014-10-28

The hydration energy of an ion largely resides within the first few layers of water molecules in its hydration shell. Hence, it is important to understand the transformation of water properties, such as hydrogen-bonding, intermolecular vibrational coupling, and librational freedom in the hydration shell of ions. We investigated these properties in the hydration shell of mono- (Cl(-) and I(-)) and bivalent (SO4(2-) and CO3(2-)) anions by using Raman multivariate curve resolution (Raman-MCR) spectroscopy in the OH stretch, HOH bend, and [bend+librational] combination bands of water. Raman-MCR of aqueous Na-salt (NaCl, NaI, Na2SO4, and Na2CO3) solutions provides ion-correlated spectra (IC-spectrum) which predominantly bear the vibrational characteristics of water in the hydration shell of respective anions. Comparison of these IC-spectra with the Raman spectrum of bulk water in different spectral regions reveals that the water is vibrationally decoupled with its neighbors in the hydration shell. Hydrogen-bond strength and librational freedom also vary with the nature of anion: hydrogen-bond strength, for example, decreases as CO3(2-) > SO4(2-) > bulk water ≈ Cl(-) > I(-); and the librational freedom increases as CO3(2-) ≈ SO4(2-) water water in the hydration shell of anions.

Thermoelectric Mechanism and Interface Characteristics of Cyanide-Free Nanogold-Coated Silver Wire

Science.gov (United States)

Tseng, Yi-Wei; Hung, Fei-Yi; Lui, Truan-Sheng

2016-01-01

Traditional bath-plated gold contains a cyanide complex, which is an environmental hazard. In response, our study used a green plating process to produce cyanide-free gold-coated silver (cyanide-free ACA) bonding wire that has been proven to be a feasible alternative to gold bonding wire in semiconductor packaging. In this work, ACA wire annealed at 550°C was found to have stable microstructure and superior mechanical properties. Intermetallic compounds Ag2Al and AuAl2 grew from Ag-Au balls and Al pads after aging at 175°C for 500 h. After current testing, ACA wire was found to have improved electrical properties due to equiaxed grain growth. The gold nanolayer on the Ag surface increased the oxidation resistance. These results provide insights regarding the reliability of ACA wire in advanced bonding processes.

Shape of a clamped stiff harpsichord wire driven at a resonant frequency

Science.gov (United States)

Hanson, Roger J.; Macomber, Hilliard Kent; Boucher, Mathew A.

2002-05-01

A wire transversely driven by a sinusoidal force at the resonant frequency of a vibrational mode vibrates at the driving frequency and at harmonics generated by nonlinear processes in the wire. If the amplitude of a harmonic is measured as a function of position along the wire, its shape is revealed. It differs significantly from a sinusoid in the vicinity of either end of the wire because the ends are clamped and the wire has significant stiffness. The shapes of various harmonics have been determined for a brass harpsichord wire, 70 cm long, from optical detector measurements made at different distances from a clamped end. Knowledge of shape facilitates the determination of antinode amplitudes of harmonics when the gross motion of the wire is so large that the detectors must be positioned near an end of the wire because of their very limited dynamic range. Some observations of harmonics and related phenomena were reported previously [Hanson et al., J. Acoust Soc. Am. 108, 2592 (2000); 106, 2141 (1999)]. The shape information is also needed to help separate nonlinear effects possibly occurring in the detectors from those of interest, occurring in the wire itself.

MIP Plasma Decapsulation of Copper-wired Semiconductor Devices for Failure Analysis

NARCIS (Netherlands)

Tang, J.

2014-01-01

The majority of Integrated Circuit (IC) devices are encapsulated in wire-bonded plastic IC packages. Epoxy molding compound is used as the encapsulation material and gold was used as the bonding wire material. However, the increase of gold material price from 400 USD/ounce in year 2005 to 1400

Tensile test and interface retention forces between wires and composites in lingual fixed retainers.

Science.gov (United States)

Paolone, Maria Giacinta; Kaitsas, Roberto; Obach, Patricia; Kaitsas, Vasilios; Benedicenti, Stefano; Sorrenti, Eugenio; Barberi, Fabrizio

2015-06-01

In daily orthodontic clinical practice retention is very important, and lingual retainers are part of this challenge. The failure of lingual retainers may be due to many factors. The aim of this study was to assess the retention forces and mechanical behavior of different types of wires matched with different kinds of composites in lingual retainers. A tensile test was performed on cylindrical composite test specimens bonded to orthodontic wires. The specimens were constructed using four different wires: a straight wire (Remanium .016×.022″ Dentaurum), two round twisted wires (Penta One .0215″ Masel, Gold Penta Twisted .0215″ Gold N'braces) and a rectangular braided wire (D-Rect .016×.022″ Ormco); and three composites: two micro-hybrids (Micro-Hybrid Enamel Plus HFO Micerium, and Micro-Hybrid SDR U Dentsply) and a micro-nano-filled composite (Micro-Nano-Filled Transbond LR 3M). The test was performed at a speed of 10mm/min on an Inström device. The wire was fixed with a clamp. The results showed that the bonding between wires and composites in lingual fixed retainers seemed to be lowest for rectangular smooth wires and increased in round twisted and rectangular twisted wires where the bonding was so strong that the maximum tension/bond strength was greater than the ultimate tensile strength of the wire. The highest values were in rectangular twisted wires. Concerning the composites, hybrid composites had the lowest interface bonding values and broke very quickly, while the nano- and micro-composites tolerated stronger forces and displayed higher bonding values. The best results were observed with the golden twisted wire and reached 21.46 MPa with the Transbond composite. With the rectangular braided wire the retention forces were so high that the Enamel Plus composite fractured when the load exceeded 154.6 N/MPa. When the same wire was combined with the Transbond LR either the wire or the composite broke when the force exceeded 240 N. The results of this

Evaluation of a countermeasure against wake galloping using wire connection method; Wake galloping ni taisuru seishin wire no yukosei ni tsuite

Energy Technology Data Exchange (ETDEWEB)

Takeda, T.; Mukai, H.; Sano, N. [Kajima Corp., Tokyo (Japan)

1994-10-31

A plurality of parallel cables have been recently employed for long-span cable-stayed bridges. Use of such parallel cables thereupon leads to a special type of wind-induced vibration called wake galloping (simply referred to as WG.) owing to air turbulence caused by upstream cables. This paper attempts to evaluate measures against the WG using a wire connecting method, and identifies the most important influencing factor and the validity of the measures through wind tunnel tests. The following results are hereby clarified. Even if the deformation rigidity of the cables is increased, it is impossible to raise the wind velocity of the WG. The wind velocity of the WG can not be reduced from a wind tunnel wind velocity using non-dimensional wind velocity. The wire connecting method proves to be more effective for reducing the amplitude of the vibration. Provided cables are coupled into a multi-stage using the wire connection method, overall vibration with a greater amplitude can be restricted. To the factor of the restriction additional deformation rigidity of the cables more contributes compared with additional weight of the cables. 9 refs., 13 figs., 2 tabs.

The Study the Vibration Condition of the Blade of the Gas Turbine Engine with an All-metal Wire Rope Damper in the Area Mount of the Blade to the Disk

Science.gov (United States)

Melentjev, Vladimir S.; Gvozdev, Alexander S.

2018-01-01

Improving the reliability of modern turbine engines is actual task. This is achieved due to prevent a vibration damage of the operating blades. On the department of structure and design of aircraft engines have accumulated a lot of experimental data on the protection of the blades of the gas turbine engine from a vibration. In this paper we proposed a method for calculating the characteristics of wire rope dampers in the root attachment of blade of a gas turbine engine. The method is based on the use of the finite element method and transient analysis. Contact interaction (Lagrange-Euler method) between the compressor blade and the disc of the rotor has been taken into account. Contribution of contact interaction between details in damping of the system was measured. The proposed method provides a convenient way for the iterative selection of the required parameters the wire rope elastic-damping element. This element is able to provide the necessary protection from the vibration for the blade of a gas turbine engine.

Electro-mechanics of drift tube wires

International Nuclear Information System (INIS)

Milburn, R.H.

1997-01-01

The position and stability of the sense wires in very long drift tubes are affected by both gravitational and electrostatic forces, as well as by the wire tension. For a tube to be used as an element of a high-resolution detector all these forces and their effects must be understood in appropriately precise detail. In addition, the quality control procedures applied during manufacture and detector installation must be adequate to ensure that the internal wire positions remain within tolerances. It may be instructive to practitioners to review the simple theory of a taut wire in the presence of anisotropic gravitational and electrostatic fields to illustrate the conditions for stability, the equilibrium wire displacement from straightness, and the effect of the fields on the mechanical vibration frequencies. These last may be used to monitor the wire configuration externally. A number of practical formulae result and these are applied to illustrative examples. (orig.)

Study on pivot-point vibration of molecular bond-rupture events by quartz crystal microbalance for biomedical diagnostics

Directory of Open Access Journals (Sweden)

Yuan YJ

2012-01-01

Full Text Available Yong J Yuan, Renjie JiaLaboratory of Biosensing and MicroMechatronics, School of Materials Science and Engineering, Southwest Jiaotong University, Chengdu, Sichuan, People's Republic of ChinaAbstract: Bond-rupture scanning for biomedical diagnostics is examined using quartz crystal microbalance (QCM experiments and microparticle mechanics modeling calculations. Specific and nonspecific interactions between a microparticle and its binding QCM surface can be distinguished by gradually increasing the amplitude of driving voltage applied to QCM and monitoring its frequency changes. This research proposes a mechanical model of interactions between biological molecules and a QCM substrate surface. The mechanical force required to break a biotin–streptavidin bond was calculated through a one-pivot-point bottom-up vibration model. The bond-rupture force increases with an increase of the microparticle radius, the QCM resonant frequency, and the amplitude of driving voltage applied to the QCM. The significance of the research on biological molecular bond rupture is extremely important in characterizing microbial (such as cells and virus specificity, due to the force magnitude needed to break bonds using a transducer.Keywords: bond rupture, mechanical force, biomolecular binding energy spectra, quartz crystal microbalance (QCM

Resonant tunneling of electrons in quantum wires

International Nuclear Information System (INIS)

Krive, I.V.; Shekhter, R.I.; Jonson, M.; Krive, I.V.

2010-01-01

We considered resonant electron tunneling in various nanostructures including single wall carbon nanotubes, molecular transistors and quantum wires formed in two-dimensional electron gas. The review starts with a textbook description of resonant tunneling of noninteracting electrons through a double-barrier structure. The effects of electron-electron interaction in sequential and resonant electron tunneling are studied by using Luttinger liquid model of electron transport in quantum wires. The experimental aspects of the problem (fabrication of quantum wires and transport measurements) are also considered. The influence of vibrational and electromechanical effects on resonant electron tunneling in molecular transistors is discussed.

Nuclear reactor fuel structure containing uranium alloy wires embedded in a metallic matrix plate

International Nuclear Information System (INIS)

Travelli, A.

1988-01-01

A nuclear fuel-containing plate structure for a nuclear reactor is described; such structure comprising a pair of malleable metallic non-fissionable matrix plates having confronting surfaces which are pressure bonded together and fully united to form a bonded surface, and elongated malleable wire-like fissionable fuel members separately confined and fully enclosed between the matrix plates along the interface to afford a high fuel density as well as structural integrity and effective retention of fission products. The plates have separate recesses formed in the confronting surfaces for closely receiving the wire-like fissionable fuel members. The wire-like fissionable fuel members are made of a maleable uranium alloy capable of being formed into elongated wire-like members and capable of withstanding pressure bonding. The wire-like fissionable fuel members are completely separated and isolated by fully united portions of the interface

Surface vibrational spectroscopy

International Nuclear Information System (INIS)

Erskine, J.L.

1984-01-01

A brief review of recent studies which combine measurements of surface vibrational energies with lattice dynamical calculations is presented. These results suggest that surface vibrational spectroscopy offers interesting prospects for use as a molecular-level probe of surface geometry, adsorbate bond distances and molecular orientations

Composite conductor containing superconductive wires

Energy Technology Data Exchange (ETDEWEB)

Larson, W.L.; Wong, J.

1974-03-26

A superconductor cable substitute made by coworking multiple rods of superconductive niobium--titanium or niobium--zirconium alloy with a common copper matrix to extend the copper and rods to form a final elongated product which has superconductive wires distributed in a reduced cross-section copper conductor with a complete metallurgical bond between the normal-conductive copper and the superconductor wires contained therein is described. The superconductor cable can be in the form of a tube.

Mechanical properties of intermetallics formed during thermal aging of Cu-Al ball bonds

NARCIS (Netherlands)

Kouters, M.H.M.; Gubbels, G.H.M.; O'Halloran, O.; Rongen, R.; Weltevreden, E.R.

2011-01-01

In high power automotive electronics copper wire bonding is regarded as most promising alternative for gold wire bonding in 1st level interconnects and therefore subjected to severe functional requirements. In the Cu-Al ball bond interface the growth of intermetallic compounds may deteriorate the

Crystal structure, vibrational spectra and DFT studies of hydrogen bonded 1,2,4-triazolium hydrogenselenate

Science.gov (United States)

Arjunan, V.; Thirunarayanan, S.; Marchewka, M. K.; Mohan, S.

2017-10-01

The new hydrogen bonded molecular complex 1,2,4-triazolium hydrogenselenate (THS) is prepared by the reaction of 1H-1,2,4-triazole and selenic acid. This complex is stabilised by N-H⋯O and C-H⋯O hydrogen bonding and electrostatic attractive forces between 1H and 1,2,4-triazolium cations and hydrogen selenate anions. The XRD studies revealed that intermolecular proton transfer occur from selenic acid to 1H-1,2,4-triazole molecule, results in the formation of 1,2,4-triazolium hydrogenselenate which contains 1,2,4-triazolium cations and hydrogenselenate anions. The molecular structure of THS crystal has also been optimised by using Density Functional Theory (DFT) using B3LYP/cc-pVTZ and B3LYP/6-311++G** methods in order to find the whole characteristics of the molecular complex. The theoretical structural parameters such as bond length, bond angle and dihedral angle determined by DFT methods are well agreed with the XRD parameters. The atomic charges and thermodynamic properties are also calculated and analysed. The energies of frontier molecular orbitals HOMO, LUMO, HOMO-1, LUMO+1 and LUMO-HUMO energy gap are calculated to understand the kinetic stability and chemical reactivity of the molecular complex. The natural bond orbital analysis (NBO) has been performed in order to study the intramolecular bonding interactions and delocalisation of electrons. These intra molecular charge transfer may induce biological activities such as antimicrobials, antiinflammatory, antifungal etc. The complete vibrational assignments of THS have been performed by using FT-IR and FT-Raman spectra.

Unusual motions of a vibrating string

Science.gov (United States)

Hanson, Roger J.

2003-10-01

The actual motions of a sinusoidally driven vibrating string can be very complex due to nonlinear effects resulting from varying tension and longitudinal motion not included in simple linear theory. Commonly observed effects are: generation of motion perpendicular to the driving force, sudden jumps in amplitude, hysteresis, and generation of higher harmonics. In addition, these effects are profoundly influenced by wire asymmetries which in a brass harpsichord wire can cause a small splitting of each natural frequency of free vibration into two closely spaced frequencies (relative separation ~0.2% to 2%), each associated with transverse motion along two orthogonal characteristic wire axes. Some unusual resulting patterns of complex motions of a point on the wire are exhibited on videotape. Examples include: sudden changes of harmonic content, generation of subharmonics, and motion which appears nearly chaotic but which has a pattern period of over 10 s. Another unusual phenomenon due to entirely different causes can occur when a violin string is bowed with a higher than normal force resulting in sounds ranging from about a musical third to a twelfth lower than the sound produced when the string is plucked.

Local vibrational modes of the formic acid dimer - the strength of the double hydrogen bond

Science.gov (United States)

Kalescky, R.; Kraka, E.; Cremer, D.

2013-07-01

The 24 normal and 24 local vibrational modes of the formic acid dimer formed by two trans formic acid monomers to a ring (TT1) are analysed utilising preferentially experimental frequencies, but also CCSD(T)/CBS and ωB97X-D harmonic vibrational frequencies. The local hydrogen bond (HB) stretching frequencies are at 676 cm-1 and by this 482 and 412 cm-1 higher compared to the measured symmetric and asymmetric HB stretching frequencies at 264 and 194 cm-1. The adiabatic connection scheme between local and normal vibrational modes reveals that the lowering is due to the topology of dimer TT1, mass coupling, and avoided crossings involving the HṡṡṡOC bending modes. The HB local mode stretching force constant is related to the strength of the HB whereas the normal mode stretching force constant and frequency lead to an erroneous underestimation of the HB strength. The HB in TT1 is stabilised by electron delocalisation in the O=C-O units fostered by forming a ring via double HBs. This implies that the CO apart from the OH local stretching frequencies reflect the strength of the HB via their red or blue shifts relative to their corresponding values in trans formic acid.

Investigation of method for Stainless Steel Welding Wire as a Replacement for Arc Wire Comsumables

Directory of Open Access Journals (Sweden)

Koiprasert, H.

2005-01-01

Full Text Available Arc spraying as a coating method is being employed in various industrial applications as a part of maintenance service, and also as a surface engineering technique for many machine parts and components. The major cost in producing the arc spray coating is, however, based on the cost of the arc wire comsumables. This project was carried out to investigate the use of the commercially-available gas metal arc welding wire (GMAW wire as a cheaper alternative to the special-purpose arc wire comsumables. The wire material chosen for this early study is the 316L stainless steel, due to its popularity in many applications as a built-up coating for worn parts. The physical properties of the coatings produced from the two sets of 316L stainless steel wire were determined to be different in the percentage of porosity and the oxide content. The mechanical properties, including the tensile bond strength and the wear rate of the coatings produced from the two types of sprayed wire, were also different. This will, in turn, result in a slight difference in the performance of thecoatings.

Evaluation of mechanical properties in metal wire mesh supported selective catalytic reduction (SCR) catalyst structures

Science.gov (United States)

Rajath, S.; Siddaraju, C.; Nandakishora, Y.; Roy, Sukumar

2018-04-01

The objective of this research is to evaluate certain specific mechanical properties of certain stainless steel wire mesh supported Selective catalytic reduction catalysts structures wherein the physical properties of the metal wire mesh and also its surface treatments played vital role thereby influencing the mechanical properties. As the adhesion between the stainless steel wire mesh and the catalyst material determines the bond strength and the erosion resistance of catalyst structures, surface modifications of the metal- wire mesh structure in order to facilitate the interface bonding is therefore very important to realize enhanced level of mechanical properties. One way to enhance such adhesion properties, the stainless steel wire mesh is treated with the various acids, i.e., chromic acid, phosphoric acid including certain mineral acids and combination of all those in various molar ratios that could generate surface active groups on metal surface that promotes good interface structure between the metal- wire mesh and metal oxide-based catalyst material and then the stainless steel wire mesh is dipped in the glass powder slurry containing some amount of organic binder. As a result of which the said catalyst material adheres to the metal-wire mesh surface more effectively that improves the erosion profile of supported catalysts structure including bond strength.

Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: A density functional theory

Science.gov (United States)

Govindasamy, P.; Gunasekaran, S.; Ramkumaar, G. R.

2014-09-01

The Fourier transform infrared (FT-IR) and FT-Raman spectra of N-(4-hydroxy phenyl) acetamide (N4HPA) of painkiller agent were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameter, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p) and 6-311++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using Vibrational energy distribution analysis (VEDA 4) program. The oscillator’s strength calculated by TD-DFT and N4HPA is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The molecular electrostatic potential (MESP) and electron density surfaces of the molecule were constructed. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like entropy, heat capacity and zero vibrational energy have been calculated.

Characterization of intermetallic compounds in Cu-Al ball bonds: layer growth, mechanical properties and oxidation

NARCIS (Netherlands)

Kouters, M.H.M.; Gubbels, G.H.M.; O'Halloran, O.; Rongen, R.

2011-01-01

In high power automotive electronics copper wire bonding is regarded as most promising alternative for gold wire bonding in 1 st level interconnects and therefore subjected to severe functional requirements. In the Cu-Al ball bond interface the growth of intermetallic compounds may deteriorate the

An analytical study on the static vertical stiffness of wire rope isolators

Energy Technology Data Exchange (ETDEWEB)

Balaji, P. S.; Rahman, M. E.; Ho, Lau Hieng [Curtin University Sarawak, Miri (Malaysia); Moussa, Leblouba [University of Sharjah, Sharjah (United Arab Emirates)

2016-01-15

The vibrations caused by earthquake ground motions or the operations of heavy machineries can affect the functionality of equipment and cause damages to the hosting structures and surrounding equipment. A Wire rope isolator (WRI), which is a type of passive isolator known to be effective in isolating shocks and vibrations, can be used for vibration isolation of lightweight structures and equipment. The primary advantage of the WRI is that it can provide isolation in all three planes and in any orientation. The load-supporting capability of the WRI is identified from the static stiffness in the loading direction. Static stiffness mainly depends on the geometrical and material properties of the WRI. This study develops an analytical model for the static stiffness in the vertical direction by using Castigliano's second theorem. The model is validated by using the experimental results obtained from a series of monotonic loading tests. The flexural rigidity of the wire ropes required in the model is obtained from the transverse bending test. Then, the analytical model is used to conduct a parametric analysis on the effects of wire rope diameter, width, height, and number of turns (loops) on vertical stiffness. The wire rope diameter influences stiffness more than the other geometric parameters. The developed model can be accurately used for the evaluation and design of WRIs.

Structure, vibrations and quantum chemical investigations of hydrogen bonded complex of bis(1-hydroxy-2-methylpropan-2-aminium)selenate

Science.gov (United States)

Thirunarayanan, S.; Arjunan, V.; Marchewka, M. K.; Mohan, S.

2017-04-01

The hydrogen bonded molecular complex bis(1-hydroxy-2-methylpropan-2-aminium)selenate (C8H24N2O6Se) has been prepared by the reaction of 2-amino-2-methyl propanol and selenic acid. The X-ray diffraction analysis revealed that the intermolecular proton transfer from selenic acid (SeO4H2) to 2-amino-2-methylpropanol results in the formation of bis(1-hydroxy-2-methylpropan-2-aminium)selenate (HMPAS) salt and the fragments are connected through H-bonding and ion pairing. The N-H⋯O and O-H⋯O interactions between 2-amino-2-methylpropanol and selenic acid determine the supramolecular arrangement in three-dimensional space. The salt crystallises in the space group P121/n1 of monoclinic system. The complete vibrational assignments of HMPAS have been performed by FTIR and FT-Raman spectroscopy. The experimental data are correlated with the structural properties namely the energy, thermodynamic parameters, atomic charges, hybridization concepts and vibrational frequencies determined by quantum chemical studies performed with B3LYP method using 6-311++G*, 6-31+G* and 6-31G** basis sets.

Crystal structures and vibrational spectra of biuret co-crystals with cyanuric and glutaric acids, discussion of hydrogen bonding involving carbonyl groups

Czech Academy of Sciences Publication Activity Database

Matulková, I.; Mathauserová, J.; Císařová, I.; Němec, I.; Fábry, Jan

2016-01-01

Roč. 231, č. 5 (2016), s. 291-300 ISSN 2194-4946 R&D Projects: GA ČR GA14-05506S Institutional support: RVO:68378271 Keywords : biuret * crystal structure analysis * hydrogen bonding * vibrational spectroscopy * X-ray diffraction Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.179, year: 2016

Characterization of intermetallic compounds in Cu-Al ball bonds: thermo-mechanical properties, interface delamination and corrosion

NARCIS (Netherlands)

Gubbels, G.H.M.; Kouters, M.H.M.; Dos Santos Ferreira, O.

2012-01-01

In high power automotive electronics copper wire bonding is regarded as the most promising alternative for gold wire bonding in 1st level interconnects. In the Cu-Al ball bond interface the growth of intermetallic compounds can deteriorate the electrical and mechanical properties of the

Bond behavior of self compacting concrete

Directory of Open Access Journals (Sweden)

Ponmalar S.

2018-03-01

Full Text Available The success of an optimum design lies in the effective load transfer done by the bond forces at the steel-concrete interface. Self Compacting Concrete, is a new innovative concrete capable of filling intrinsic reinforcement and gets compacted by itself, without the need of external mechanical vibration. For this reason, it is replacing the conventional vibrated concrete in the construction industry. The present paper outlays the materials and methods adopted for attaining the self compacting concrete and describes about the bond behavior of this concrete. The bond stress-slip curve is similar in the bottom bars for both SCC and normal concrete whereas a higher bond stress and stiffness is experienced in the top and middle bars, for SCC compared to normal concrete. Also the interfacial properties revealed that the elastic modulus and micro-strength of interfacial transition zone [ITZ] were better on the both top and bottom side of horizontal steel bar in the SCC mixes than in normal vibrated concrete. The local bond strength of top bars for SCC is about 20% less than that for NC. For the bottom bars, however, the results were almost the same.

Bond behavior of self compacting concrete

Science.gov (United States)

Ponmalar, S.

2018-03-01

The success of an optimum design lies in the effective load transfer done by the bond forces at the steel-concrete interface. Self Compacting Concrete, is a new innovative concrete capable of filling intrinsic reinforcement and gets compacted by itself, without the need of external mechanical vibration. For this reason, it is replacing the conventional vibrated concrete in the construction industry. The present paper outlays the materials and methods adopted for attaining the self compacting concrete and describes about the bond behavior of this concrete. The bond stress-slip curve is similar in the bottom bars for both SCC and normal concrete whereas a higher bond stress and stiffness is experienced in the top and middle bars, for SCC compared to normal concrete. Also the interfacial properties revealed that the elastic modulus and micro-strength of interfacial transition zone [ITZ] were better on the both top and bottom side of horizontal steel bar in the SCC mixes than in normal vibrated concrete. The local bond strength of top bars for SCC is about 20% less than that for NC. For the bottom bars, however, the results were almost the same.

Determination by vibrational spectra of the strength and the bond length of atoms U and O in uranyl complexes

International Nuclear Information System (INIS)

Rodriguez S, A.; Martinez Q, E.

1996-01-01

The vibrational spectra of different uranyl compounds were studied. The wave number was related to the harmonic oscillator model and to the mathematical expression of Badger as modified by Jones, to determine the strength and the bond length of atoms U and O in UO 2 2+ . A mathematical simplification develop by us is proposed and its results compared with values obtained by other methods. (Author)

Laser Indirect Shock Welding of Fine Wire to Metal Sheet.

Science.gov (United States)

Wang, Xiao; Huang, Tao; Luo, Yapeng; Liu, Huixia

2017-09-12

The purpose of this paper is to present an advanced method for welding fine wire to metal sheet, namely laser indirect shock welding (LISW). This process uses silica gel as driver sheet to accelerate the metal sheet toward the wire to obtain metallurgical bonding. A series of experiments were implemented to validate the welding ability of Al sheet/Cu wire and Al sheet/Ag wire. It was found that the use of a driver sheet can maintain high surface quality of the metal sheet. With the increase of laser pulse energy, the bonding area of the sheet/wire increased and the welding interfaces were nearly flat. Energy dispersive spectroscopy (EDS) results show that the intermetallic phases were absent and a short element diffusion layer which would limit the formation of the intermetallic phases emerging at the welding interface. A tensile shear test was used to measure the mechanical strength of the welding joints. The influence of laser pulse energy on the tensile failure modes was investigated, and two failure modes, including interfacial failure and failure through the wire, were observed. The nanoindentation test results indicate that as the distance to the welding interface decreased, the microhardness increased due to the plastic deformation becoming more violent.

Spectral response of crystalline acetanilide and N -methylacetamide: Vibrational self-trapping in hydrogen-bonded crystals

Science.gov (United States)

Edler, Julian; Hamm, Peter

2004-06-01

Femtosecond pump-probe and Fourier transform infrared spectroscopy is applied to compare the spectral response of the amide I band and the NH-stretching band of acetanilide (ACN) and N -methylacetamide (NMA), as well as their deuterated derivatives. Both molecules form hydrogen-bonded molecular crystals that are regarded to be model systems for polypeptides and proteins. The amide I bands of both ACN and NMA show a temperature-dependent sideband, while the NH bands are accompanied by a sequence of equidistantly spaced satellite peaks. These spectral anomalies are interpreted as a signature of vibrational self-trapping. Two different types of states can be identified in both crystals in the pump-probe signal: a delocalized free-exciton state and a set of localized self-trapped states. The phonons that mediate self-trapping in ACN and deuterated ACN are identified by their temperature dependence, confirming our previous results. The study shows that the substructure of the NH band in NMA (amide A and amide B bands) originates, at least partly, from vibrational self-trapping and not, as often assumed, from a Fermi resonance.

Self-vibration cancellation of a novel bi-directional magnetized NdFeB/magnetostrictive/piezoelectric laminate.

Science.gov (United States)

Leung, Chung Ming; Wang, Feifei; Wang, Ya

2016-06-01

A novel magnetoelectric (ME) laminated composite structure is proposed in this work, aiming to provide a good self-vibration cancellation performance under the magnetic field detection environment. The proposed structure consists of two Terfenol-D magnetostrictive alloy plates which are revised and length-magnetized by two NdFeB magnets bonded on the top surface of a thickness-polarized Pb(Zr, Ti)O3 (PZT) ceramic plate with separate electrodes. Experiments have shown that great vibration suppression up to 44 dB under harmonic disturbance was observed. The ME coefficient of the proposed structure also reaches up to ∼29 mV/Oe at non-resonance frequency and 758 mV/Oe at resonance frequency of 79 kHz which is ∼2 times larger than the traditional L-T Terfenol-D/PZT bilayer configuration of the same scale. Such performance improvement is achieved based on the bi-directional magnetic field bias (HBias) of two NdFeB magnets in magnetostrictive layer, internal in-series electrical wire connection in piezoelectric layer. The proposed design has great potential to be used for industrial applications associated with heavy environmental vibration noise.

Self-vibration cancellation of a novel bi-directional magnetized NdFeB/magnetostrictive/piezoelectric laminate

Science.gov (United States)

Leung, Chung Ming; Wang, Feifei; Wang, Ya

2016-06-01

A novel magnetoelectric (ME) laminated composite structure is proposed in this work, aiming to provide a good self-vibration cancellation performance under the magnetic field detection environment. The proposed structure consists of two Terfenol-D magnetostrictive alloy plates which are revised and length-magnetized by two NdFeB magnets bonded on the top surface of a thickness-polarized Pb(Zr, Ti)O3 (PZT) ceramic plate with separate electrodes. Experiments have shown that great vibration suppression up to 44 dB under harmonic disturbance was observed. The ME coefficient of the proposed structure also reaches up to ˜29 mV/Oe at non-resonance frequency and 758 mV/Oe at resonance frequency of 79 kHz which is ˜2 times larger than the traditional L-T Terfenol-D/PZT bilayer configuration of the same scale. Such performance improvement is achieved based on the bi-directional magnetic field bias (HBias) of two NdFeB magnets in magnetostrictive layer, internal in-series electrical wire connection in piezoelectric layer. The proposed design has great potential to be used for industrial applications associated with heavy environmental vibration noise.

New Structure Design and Simulation of Brake by Wire System Based on Giant-magnetostrictive Material

Directory of Open Access Journals (Sweden)

Changbao CHU

2014-04-01

Full Text Available Existing electronic mechanical brake by wire system has several disadvantages. For instance, system actuators are complex, response speed slower, larger vibration noise, etc. This paper discusses a new type brake by wire system based on giant-magnetostrictive material. The new type brake by wire system model was set up under Matlab/Simulink software environment. PID control method was used to control the brake by wire system. Simulation results shows that the new type brake by wire system achieves better braking performance compared with hydraulic braking system. This work provides a new idea for researching automobile brake by wire system.

In vivo biofilm formation on stainless steel bonded retainers during different oral health-care regimens

NARCIS (Netherlands)

Jongsma, Marije A.; van der Mei, Henny C.; Atema-Smit, Jelly; Busscher, Henk I.; Ren, Yijin

2015-01-01

Retention wires permanently bonded to the anterior teeth are used after orthodontic treatment to prevent the teeth from relapsing to pre-treatment positions. A disadvantage of bonded retainers is biofilm accumulation on the wires, which produces a higher incidence of gingival recession, increased

Towards a wire-mediated coupling of trapped ions

Science.gov (United States)

Clark, Robert; Lee, Tony; Daniilidis, Nikos; Sankaranarayanan, S.; Häffner, Hartmut

2008-03-01

Most schemes for ion trap quantum computation rely upon the exchange of information between ion-qubits in the same trap region, mediated by their shared vibrational mode. An alternative way to achieve this coupling is via the image charges induced in a conducting wire that connects different traps. This was shown to be theoretically possible by Heinzen and Wineland in 1990, but some important practical questions have remained unaddressed. Among these are how the presence of such a wire modifies the motional frequencies and heating rates of trapped ions. We thus have realized this system as a 1 mm-scale planar segmented rf ion trap combined with an electrically floating gold wire of 25 microns diameter and length 1 cm. This wire is placed close to trapped ions using a set of piezoelectric nanopositioners. We present here experimental measurements of the motional frequencies and heating rates of a single trapped calcium ion as the wire is moved from 3.0 mm to 0.2 mm away from the ion. We discuss the implications of these results for achieving wire-mediated coupling in the present apparatus, as well as in future improved setups.

Investigations on Vibration Characteristics of Sma Embedded Horizontal Axis Wind Turbine Blade

Science.gov (United States)

Jagadeesh, V.; Yuvaraja, M.; Chandhru, A.; Viswanathan, P.; Senthil kumar, M.

2018-02-01

Vibration induced in wind turbine blade is a solemn problem as it reduces the life of the blade and also it can create critical vibration onto the tower, which may cause serious damage to the tower. The aim of this paper is to investigate the vibration characteristics of the prototype horizontal axis wind turbine blade. Shape memory alloys (SMA), with its variable physical properties, provides an alternative actuating mechanism. Heating an SMA causes a change in the elastic modulus of the material and hence SMAs are used as a damping material. A prototype blade with S1223 profile has been manufactured and the natural frequency is found. The natural frequency is found by incorporating the single SMA wire of 0.5mm diameter over the surface of the blade for a length of 240 mm. Similarly, number of SMA wires over the blade is increased up to 3 and the natural frequency is found. Frequency responses showed that the embedment of SMA over the blade’s surface will increase the natural frequency and reduce the amplitude of vibration. This is because of super elastic nature of SMA. In this paper, when SMA wire of 0.5 mm diameter and of length of 720 mm is embedded on the blade, an increase in the natural frequency by 6.3% and reducing the amplitude by 64.8%. Results of the experimental modal and harmonic indicates the effectiveness of SMA as a passive vibration absorber and that it has potential as a modest and high-performance method for controlling vibration of the blade.

In the photograph, one can see the interconnection from one readout chip to the flexible cable realized with ultrasonic wire bonds (25 microns).

CERN Multimedia

Saba, A

2006-01-01

2 ladders are connected via a multi layer aluminium polyimide flexible cable with a multi chip module containing several custom designed ASICs. The production of the flexible cable was developed and carrier out at CERN. It provides signal and data lines as well as power to the individual readout chipswith a total thickness of only 220 microns. In the photograph, one can see the interconnection from one readout chip to the flexible cable realized with ultrasonic wire bonds (25 microns).

Attaching Copper Wires to Magnetic-Reed-Switch Leads

Science.gov (United States)

Kamila, Rudolf

1987-01-01

Bonding method reliably joins copper wires to short iron-alloy leads from glass-encased dry magnetic-reed switch without disturbing integrity of glass-to-metal seal. Joint resistant to high temperatures and has low electrical resistance.

Relation between frequency and H bond length in heavy water: Towards the understanding of the unusual properties of H bond dynamics in nanoporous media

International Nuclear Information System (INIS)

Pommeret, Stanislas; Leicknam, Jean-Claude; Bratos, Savo; Musat, Raluca; Renault, Jean Philippe

2009-01-01

The published work on H bond dynamics mainly refers to diluted solutions HDO/D 2 O rather than to normal water. The reasons for this choice are both theoretical and experimental. Mechanical isolation of the OH vibrator eliminating the resonant energy transfer makes it a better probe of the local H bond network, while the dilution in heavy water reduces the infrared absorption, which permits the use of thicker experimental cells. The isotopic substitution does not alter crucially the nature of the problem. The length r of an OH . . . O group is statistically distributed over a large interval comprised between 2.7 and 3.2 A with a mean value r 0 = 2.86 A. Liquid water may thus be viewed as a mixture of hydrogen bonds of different length. Two important characteristics of hydrogen bonding must be mentioned. (i) The OH stretching vibrations are strongly affected by this interaction. The shorter the length r of the hydrogen bond, the strongest the H bond link and the lower is its frequency ω: the covalent OH bond energy is lent to the OH. . .O bond and reinforces the latter. A number of useful relationships between ω and r were published to express this correlation. The one adopted in our previous work is the relationship due to Mikenda. (ii) Not only the OH vibrations, but also the HDO rotations are influenced noticeably by hydrogen bonding. This is due to steric forces that hinder the HDO rotations. As they are stronger in short than in long hydrogen bonds, rotations are slower in the first case than in the second. This effect was only recently discovered, but its existence is hardly to be contested. In the present contribution, we want to revisit the relationship between the frequency of the OH vibrator and the distance OH. . .O.

Vibrational Energy Relaxation in Water-Acetonitrile Mixtures

NARCIS (Netherlands)

Cringus, Dan; Yeremenko, Sergey; Pshenichnikov, Maxim S.; Wiersma, Douwe A.; Kobayashi, Takayoshi; Kobayashi, Tetsuro; Nelson, Keith A.; Okada, Tadashi; Silvestri, Sandro De

2004-01-01

IR pump-probe spectroscopy is used to study the effect of hydrogen bonding on the vibrational energy relaxation pathways. Hydrogen bonding accelerates the population relaxation from 12ps in diluted acetonitrile solution to 700fs in bulk water.

Understanding the influence of low-frequency vibrations on the hydrogen bonds of acetic acid and acetamide dimers.

Science.gov (United States)

Copeland, Christopher; Menon, Omkaran; Majumdar, D; Roszak, Szczepan; Leszczynski, Jerzy

2017-09-20

Low-frequency vibrations coupled to high-frequency modes are known to influence the hydrogen bond strengths in a weakly interacting dimer. In this context, various acetic acid and acetamide dimers were analyzed using Møller-Plesset second-order perturbation (MP2) and density functional theory (DFT)-based approaches with explicit anharmonicity corrections. The computed low-frequency fundamentals as well as the high-frequency modes, which were found to be related to hydrogen bonding (OH/NH stretching modes), were analyzed and their computed intensities were correlated with their hydrogen-bond strengths/binding energies. There are similarities in the nature of eight low-frequency fundamentals of these two dimers, and the in-plane bending and stretch-bend fundamentals of the different dimers of these two species (in this low-frequency region) have specific roles in their relative stability order. The computed linear correlations were further verified against the results from coupled cluster calculations including triple excitation (CCSD(T)), Gaussian-G4 (G4), Gaussian-G2-MP2 (G2MP2) and complete basis set (CBS-QB3) methods of high accuracy energy calculations. As a consequence of such linear correlations, an additive property of local fragment energies (responsible for hydrogen bonding) was found to be a valid approximation to predict the binding energies of such dimers and the idea was found to be extendable to the other homologues of these acids/amides.

Ultrafast fragmentation dynamics of triply charged carbon dioxide: Vibrational-mode-dependent molecular bond breakage

Science.gov (United States)

Yang, HongJiang; Wang, Enliang; Dong, WenXiu; Gong, Maomao; Shen, Zhenjie; Tang, Yaguo; Shan, Xu; Chen, Xiangjun

2018-05-01

The a b i n i t i o molecular dynamics (MD) simulations using an atom-centered density matrix propagation method have been carried out to investigate the fragmentation of the ground-state triply charged carbon dioxide, CO23 +→C+ + Oa+ + Ob+ . Ten thousands of trajectories have been simulated. By analyzing the momentum correlation of the final fragments, it is demonstrated that the sequential fragmentation dominates in the three-body dissociation, consistent with our experimental observations which were performed by electron collision at impact energy of 1500 eV. Furthermore, the MD simulations allow us to have detailed insight into the ultrafast evolution of the molecular bond breakage at a very early stage, within several tens of femtoseconds, and the result shows that the initial nuclear vibrational mode plays a decisive role in switching the dissociation pathways.

Structural and vibrational spectroscopic studies on charge transfer and ionic hydrogen bonding interactions of melaminium benzoate dihydrate

Science.gov (United States)

Kanagathara, N.; Marchewka, M. K.; Drozd, M.; Gunasekaran, S.; Rajakumar, P. R.; Anbalagan, G.

2015-06-01

Single crystals of melaminium benzoate dihydrate (MBDH) have been grown from aqueous solution by the slow solvent evaporation method at room temperature. Crystalline nature of the grown crystal has been confirmed by X-ray powder diffraction studies. The optimized geometry, frequency and intensity of the vibrational bands of MBDH were obtained by the Hartree-Fock and density functional theory using B3LYP/cam-B3LYP with 6-311++G(d,p) basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with the experimental FT-IR and FT-Raman spectral values. The obtained vibrational wavenumbers and optimized geometric parameters are found to be in good agreement with the experimental data. UV-Visible spectrum was recorded in the region 200-400 nm and the electronic properties, HOMO-LUMO energies and other related electronic parameters are calculated. The isotropic chemical shifts computed by 1H and 13C NMR analysis also show good agreement with experimental observation. Natural bond orbital (NBO) analysis has been performed on MBDH compound to analyze the stability of the molecule arising from hyperconjugative interactions and charge delocalization. Molecular electrostatic potential surface (MEP) has also been performed by DFT/cam-B3LYP method with 6-311++G(d,p) basis set. Differential scanning calorimetric measurements performed on the powder sample indicate the phase transition point approximately at 368 and 358 K for heating and cooling, respectively.

Resonance Raman detection of iron-ligand vibrations in cyano(pyridine)(octaethylporphinato)iron(III): Effects of pyridine basicity on the Fe-CN bond strength

International Nuclear Information System (INIS)

Uno, Tadayuki; Hatano, Keiichiro; Nishimura, Yoshifumi; Arata, Yoji

1988-01-01

The influence of axial ligand basicity on the bonding of iron(III) in cyano adducts of octaethylporphyrin has been studied by resonance Raman spectroscopy. In a six-coordinate ferric low-spin complex, cyano(pyridine)(octaethylporphinato)iron(III), Fe(OEP)(CN)(py), Raman lines at 449 and 191 cm -1 were assigned to the ν(Fe-CN) and ν(Fe-py) stretching modes, respectively. When pyridine was displaced with its derivatives, py-X, where X = 4-cyano, 3-acetyl, 3-methyl, 4-methyl, 3,4-dimethyl, and 4-dimethylamino, the ν(Fe-CN) stretching frequency was found to decrease in the complex with a high pyridine basicity. It was concluded that the stronger the trans pyridine basicity, the weaker the iron-carbon (cyanide) bond. A clear frequency shift was observed in the ν 4 model, though most of the porphyrin vibrations were insensitive to the ligand substitution. The frequency of the ν 4 mode, which is the C a -N(pyrrole) breathing vibration of the porphyrin skeleton, was found to increase with an increase in pyridine basicity. This is contrary to what was found in ferrous low-spin hemes as CO complexes. The ν 4 shift in the CN complexes was explained in terms of forward π donation; donation of electrons from the porphyrin π orbital to the d π vacancy of the low-spin iron(III) weakened the C a -N(pyrrole) bonds and hence decreased the ν 4 frequency. 32 references, 8 figures

Probing hydrogen bonding interactions and proton transfer in proteins

Science.gov (United States)

Nie, Beining

Scope and method of study. Hydrogen bonding is a fundamental element in protein structure and function. Breaking a single hydrogen bond may impair the stability of a protein. It is therefore important to probe dynamic changes in hydrogen bonding interactions during protein folding and function. Time-resolved Fourier transform infrared spectroscopy is highly sensitive to hydrogen bonding interactions. However, it lacks quantitative correlation between the vibrational frequencies and the number, type, and strength of hydrogen bonding interactions of ionizable and polar residues. We employ quantum physics theory based ab initio calculations to study the effects of hydrogen bonding interactions on vibrational frequencies of Asp, Glu, and Tyr residues and to develop vibrational spectral markers for probing hydrogen bonding interactions using infrared spectroscopy. In addition, proton transfer process plays a crucial role in a wide range of energy transduction, signal transduction, and enzymatic reactions. We study the structural basis for proton transfer using photoactive yellow protein as an excellent model system. Molecular dynamics simulation is employed to investigate the structures of early intermediate states. Quantum theory based ab initio calculations are used to study the impact of hydrogen bond interactions on proton affinity and proton transfer. Findings and conclusions. Our extensive density function theory based calculations provide rich structural, spectral, and energetic information on hydrogen bonding properties of protonated side chain groups of Asp/Glu and Tyr. We developed vibrational spectral markers and 2D FTIR spectroscopy for structural characterization on the number and the type of hydrogen bonding interactions of the COOH group of Asp/Glu and neutral phenolic group of Tyr. These developments greatly enhance the power of time-resolved FTIR spectroscopy as a major experimental tool for structural characterization of functionally important

Dynamic breaking of a single gold bond

DEFF Research Database (Denmark)

Pobelov, Ilya V.; Lauritzen, Kasper Primdal; Yoshida, Koji

2017-01-01

While one might assume that the force to break a chemical bond gives a measure of the bond strength, this intuition is misleading. If the force is loaded slowly, thermal fluctuations may break the bond before it is maximally stretched, and the breaking force will be less than the bond can sustain...... of a single Au-Au bond and show that the breaking force is dependent on the loading rate. We probe the temperature and structural dependencies of breaking and suggest that the paradox can be explained by fast breaking of atomic wires and slow breaking of point contacts giving very similar breaking forces....

Experimental study on manufacturing of grits-spiral- distribution electroplated wire saw

Directory of Open Access Journals (Sweden)

Yufei GAO

2016-12-01

Full Text Available In order to obtain high performance electroplating diamond wire saw, experimental studies are conducted for development of grits-spiral-distribution electroplated diamond wire saw using sand-suspend electroplating method. The influences of pre-plating cathode current density, grits electro-embedding cathode current density and time on composite deposite coating appearance and grits distribution of wire saw are analyzed, and the sawing experiment is carried out by using the trial wire saw. The results show that good bonding strength between the coating and the steel wire can be obtained when the adopted cathode current density is 5.0 A/dm2 at pre-plating stage; good coating and girts distribution can be obtained when the adopted cathode current density is 5.0 A/dm2 and the electroplating time is 7~8 min at grits electro-embedding stage. By winding insulation wire on the surface of steel wire and reasonably selecting technological parameters before pre-plating can make the diamond wire saw with grits-spiral-distribution on surface, and the new type of wire saw has a better crumbs-clearing effect in wire sawing process.

Evaluation of coupling terms between intra- and intermolecular vibrations in coarse-grained normal-mode analysis: Does a stronger acid make a stiffer hydrogen bond?

Science.gov (United States)

Houjou, Hirohiko

2011-10-01

Using theory of harmonic normal-mode vibration analysis, we developed a procedure for evaluating the anisotropic stiffness of intermolecular forces. Our scheme for coarse-graining of molecular motions is modified so as to account for intramolecular vibrations in addition to relative translational/rotational displacement. We applied this new analytical scheme to four carboxylic acid dimers, for which coupling between intra- and intermolecular vibrations is crucial for determining the apparent stiffness of the intermolecular double hydrogen bond. The apparent stiffness constant was analyzed on the basis of a conjunct spring model, which defines contributions from true intermolecular stiffness and molecular internal stiffness. Consequently, the true intermolecular stiffness was in the range of 43-48 N m-1 for all carboxylic acids studied, regardless of the molecules' acidity. We concluded that the difference in the apparent stiffness can be attributed to differences in the internal stiffness of the respective molecules.

Vibrations of a molecule in an external force field.

Science.gov (United States)

Okabayashi, Norio; Peronio, Angelo; Paulsson, Magnus; Arai, Toyoko; Giessibl, Franz J

2018-05-01

The oscillation frequencies of a molecule on a surface are determined by the mass distribution in the molecule and the restoring forces that occur when the molecule bends. The restoring force originates from the atomic-scale interaction within the molecule and with the surface, which plays an essential role in the dynamics and reactivity of the molecule. In 1998, a combination of scanning tunneling microscopy with inelastic tunneling spectroscopy revealed the vibrational frequencies of single molecules adsorbed on a surface. However, the probe tip itself exerts forces on the molecule, changing its oscillation frequencies. Here, we combine atomic force microscopy with inelastic tunneling spectroscopy and measure the influence of the forces exerted by the tip on the lateral vibrational modes of a carbon monoxide molecule on a copper surface. Comparing the experimental data to a mechanical model of the vibrating molecule shows that the bonds within the molecule and with the surface are weakened by the proximity of the tip. This combination of techniques can be applied to analyze complex molecular vibrations and the mechanics of forming and loosening chemical bonds, as well as to study the mechanics of bond breaking in chemical reactions and atomic manipulation.

Analysis of Steel Wire Rope Diagnostic Data Applying Multi-Criteria Methods

Directory of Open Access Journals (Sweden)

Audrius Čereška

2018-02-01

Full Text Available Steel ropes are complex flexible structures used in many technical applications, such as elevators, cable cars, and funicular cabs. Due to the specific design and critical safety requirements, diagnostics of ropes remains an important issue. Broken wire number in the steel ropes is limited by safety standards when they are used in the human lifting and carrying installations. There are some practical issues on loose wires—firstly, it shows end of lifetime of the entire rope, independently of wear, lubrication or wrong winding on the drums or through pulleys; and, secondly, it can stick in the tight pulley—support gaps and cause deterioration of rope structure up to birdcage formations. Normal rope operation should not generate broken wires, so increasing of their number shows a need for rope installation maintenance. This paper presents a methodology of steel rope diagnostics and the results of analysis using multi-criteria analysis methods. The experimental part of the research was performed using an original test bench to detect broken wires on the rope surface by its vibrations. Diagnostics was performed in the range of frequencies from 60 to 560 Hz with a pitch of 50 Hz. The obtained amplitudes of the broken rope wire vibrations, different from the entire rope surface vibration parameters, was the significant outcome. Later analysis of the obtained experimental results revealed the most significant values of the diagnostic parameters. The evaluation of the power of the diagnostics was implemented by using multi-criteria decision-making (MCDM methods. Various decision-making methods are necessary due to unknown efficiencies with respect to the physical phenomena of the evaluated processes. The significance of the methods was evaluated using objective methods from the structure of the presented data. Some of these methods were proposed by authors of this paper. Implementation of MCDM in diagnostic data analysis and definition of the

Vibrations of bioionic liquids by ab initio molecular dynamics and vibrational spectroscopy.

Science.gov (United States)

Tanzi, Luana; Benassi, Paola; Nardone, Michele; Ramondo, Fabio

2014-12-26

Density functional theory and vibrational spectroscopy are used to investigate a class of bioionic liquids consisting of a choline cation and carboxylate anions. Through quantum mechanical studies of motionless ion pairs and molecular dynamics of small portions of the liquid, we have characterized important structural features of the ionic liquid. Hydrogen bonding produces stable ion pairs in the liquid and induces vibrational features of the carboxylate groups comparable with experimental results. Infrared and Raman spectra of liquids have been measured, and main bands have been assigned on the basis of theoretical spectra.

The role of oxide structure on copper wire to the rubber adhesion

Science.gov (United States)

Su, Yea-Yang; Shemenski, Robert M.

2000-07-01

Most metals have an oxide layer on the surface. However, the structure of the oxide varies with the matrix composition, and depends upon the environmental conditions. A bronze coating, nominal composition of 98.5% Cu and balance of Sn, is applied to steel wire for reinforcing pneumatic tire beads and to provide adhesion to rubber. This work studied the influence of copper oxides on the bronze coating on adhesion during vulcanization. To emphasize the oxide structures, electrolytic tough pitch (ETP) copper wire was used instead of the traditional bronze-coated tire bead wire. Experimental results confirmed the hypothesis that cuprous oxide (Cu 2O) could significantly improve bonding between copper wire and rubber, and demonstrated that the interaction between rubber and oxide layer on wire is an electrochemical reaction.

Note: Recombination of H+ and OH− ions along water wires

International Nuclear Information System (INIS)

Lee, Song Hi; Rasaiah, Jayendran C.

2013-01-01

Transport and recombination of hydrogen and hydroxide ions along a hydrogen-bonded water wire are studied by molecular dynamics simulation using a dissociating model for water. The results are compared with a recent CP-MD study of neutralization in bulk water [A. Hassanali, M. K. Prakrash, H. Eshet, and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. 108, 20410 (2011)]. The translocation of H + and OH − along the wire is faster than in the bulk water, followed by compression of the water wire when two water molecules separate the transported ions. Neutralization occurs with the concerted transfer of three protons as in the bulk water, followed by energy dissipation along the water chain

The effect of ground borne vibrations from high speed train on overhead line equipment (OHLE) structure considering soil-structure interaction.

Science.gov (United States)

Ngamkhanong, Chayut; Kaewunruen, Sakdirat

2018-06-15

At present, railway infrastructure experiences harsh environments and aggressive loading conditions from increased traffic and load demands. Ground borne vibration has become one of these environmental challenges. Overhead line equipment (OHLE) provides electric power to the train and is, for one or two tracks, normally supported by cantilever masts. A cantilever mast, which is made of H-section steel, is slender and has a poor dynamic behaviour by nature. It can be seen from the literature that ground borne vibrations cause annoyance to people in surrounding areas especially in buildings. Nonetheless, mast structures, which are located nearest and alongside the railway track, have not been fully studied in terms of their dynamic behaviour. This paper presents the effects of ground borne vibrations generated by high speed trains on cantilever masts and contact wire located alongside railway tracks. Ground borne vibration velocities at various train speeds, from 100 km/h to 300 km/h, are considered based on the consideration of semi-empirical models for predicting low frequency vibration on ground. A three-dimensional mast structure with varying soil stiffness is made using a finite element model. The displacement measured is located at the end of cantilever mast which is the position of contact wire. The construction tolerance of contact stagger is used as an allowable movement of contact wire in transverse direction. The results show that the effect of vibration velocity from train on the transverse direction of mast structure is greater than that on the longitudinal direction. Moreover, the results obtained indicate that the ground bourn vibrations caused by high speed train are not strong enough to cause damage to the contact wire. The outcome of this study will help engineers improve the design standard of cantilever mast considering the effect of ground borne vibration as preliminary parameter for construction tolerances. Copyright © 2018 Elsevier B

Formation of InN atomic-size wires by simple N adsorption on the In/Si(111)–(4 × 1) surface

International Nuclear Information System (INIS)

Guerrero-Sánchez, J.; Takeuchi, Noboru

2016-01-01

Highlights: • N atoms on the surface form bonds with two In atoms and one Si atom. • Surface formation energy calculations show two stable structures with formation of InN atomic-size wires. • Projected density of states shows a tendency to form In−N and Si−N bonds on the surface. • Charge density corroborates the covalent character of the In−N bonds. - Abstract: We have carried out first principles total energy calculations to study the formation of InN atomic-size wires on the In/Si(111)–(4 × 1) surface. In its most favorable adsorption site, a single N atom forms InN arrangements. The deposit of 0.25 monolayers (MLs) of N atoms, result in the breaking of one of the original In chains and the formation of an InN atomic size wire. Increasing the coverage up to 0.5 ML of N atoms results in the formation of two of those wires. Calculated surface formation energies show that for N-poor conditions the most stable configuration is the original In/Si(111)–(4 × 1) surface with no N atoms. Increasing the N content, and in a reduced range of chemical potential, the formation of an InN wire is energetically favorable. Instead, from intermediate to N-rich conditions, two InN atomic wires are more stable. Projected density of states calculations have shown a trend to form covalent bonds between the In−p and N−p orbitals in these stable models.

Shape memory alloy wires turn composites into smart structures: I. Material requirements

Science.gov (United States)

Schrooten, Jan; Michaud, Veronique J.; Zheng, Yanjun; Balta-Neumann, J. Antonio; Manson, Jan-Anders E.

2002-07-01

Composites containing thin Shape Memory Alloy (SMA) wires show great potential as materials able to adapt their shape, thermal behavior or vibrational properties to external stimuli. The functional properties of SMA-composites are directly related to the constraining effect of the matrix on the reversible martensitic transformation of the embedded pre-strained SMA wires. The present work reports results of a concerted European effort towards a fundamental understanding of the manufacturing and design of SMA composites. This first part investigates the transformational behavior of constrained SMA wires and its translation into functional properties of SMA composites. Thermodynamic and thermomechanical experiments were performed on SMA wires. A model was developed to simulate the thermomechanical behavior of the wires. From the screening of potential wires it was concluded that NiTiCu, as well as R-phase NiTi appeared as best candidates. Requirements for the host composite materials were surveyed. A Kevlar-epoxy system was chosen. Finally, the quality of the SMA wire-resin interface was assessed by two different techniques. These indicated that a thin oxide layer seems to provide the best interfacial strength. A temperature window in which SMA composites can be safely used was also defined. The manufacturing and properties of the SMA composites will be discussed in Part II.

Molecular Geometry And Vibrational Spectra of 2'-chloroacetanilide

International Nuclear Information System (INIS)

Gokce, H.

2008-01-01

The molecular structure, vibrational frequencies and the corresponding vibrational assingments of 2'-chloroacetanilide in the ground state have been calculated by using Hartree-Fock (HF) and Density Functional Theory (DFT/B3LYP) methods with 6-311++G(d,p) basis set. The obtained vibrational frequencies and optimized geometric parameters (bond lenghts and angles) are in very good agreement with the experimental data. The comparison of the observed and calculated vibrational frequencies assignments of 2'-chloroacetanilide exhibit that the scaled DFT/B3LYP method is superior to be scaled HF method. Furthermore the calculated Infrared and Raman intensities are also reported

Elastic, Frictional, Strength and Dynamic Characteristics of the Bell Shape Shock Absorbers Made of MR Wire Material

Science.gov (United States)

Lazutkin, G. V.; Davydov, D. P.; Boyarov, K. V.; Volkova, T. V.

2018-01-01

The results of the mechanical characteristic experimental studies are presented for the shock absorbers of DKU type with the elastic elements of the bell shape made of MR material and obtained by the cold pressing of mutually crossing wire spirals with their inclusion in the array of reinforcing wire harnesses. The design analysis and the technology of MR production based on the methods of similarity theory and dimensional analysis revealed the dimensionless determined and determining parameters of elastic frictional, dynamic and strength characteristics under the static and dynamic loading of vibration isolators. The main similarity criteria of mechanical characteristics for vibration isolators and their graphical and analytical representation are determined, taking into account the coefficients of these (affine) transformations of the hysteresis loop family field.

Shape memory alloy wire-based smart natural rubber bearing

International Nuclear Information System (INIS)

Hedayati Dezfuli, F; Shahria Alam, M

2013-01-01

In this study, two types of smart elastomeric bearings are presented using shape memory alloy (SMA) wires. Due to the unique characteristics of SMAs, such as the superelastic effect and the recentering capability, the residual deformation in SMA-based natural rubber bearings (SMA-NRBs) is significantly reduced whereas the energy dissipation capacity is increased. Two different configurations of SMA wires incorporated in elastomeric bearings are considered. The effect of several parameters, including the shear strain amplitude, the type of SMA, the aspect ratio of the base isolator, the thickness of SMA wire, and the amount of pre-strain in the wires on the performance of SMA-NRBs is investigated. Rubber bearings are composed of natural rubber layers bonded to steel shims as reinforcement. Results show that ferrous SMA wire, FeNiCuAlTaB, with 13.5% superelastic strain and a very low austenite finish temperature (−62 °C), is the best candidate to be used in SMA-NRBs subjected to high shear strain amplitudes. In terms of the lateral flexibility and wire strain level, the smart rubber bearing with a cross configuration of SMA wires is more efficient. Moreover, the cross configuration can be implemented in high-aspect-ratio elastomeric bearings since the strain induced in the wire does not exceed the superelastic range. When cross SMA wires with 2% pre-strain are used in a smart NRB, the dissipated energy is increased by 74% and the residual deformation is decreased by 15%. (paper)

Three-dimensional quantification of pretorqued nickel-titanium wires in edgewise and prescription brackets.

Science.gov (United States)

Mittal, Nitika; Xia, Zeyang; Chen, Jie; Stewart, Kelton T; Liu, Sean Shih-Yao

2013-05-01

To quantify the three-dimensional moments and forces produced by pretorqued nickel-titanium (NiTi) rectangular archwires fully engaged in 0.018- and 0.022-inch slots of central incisor and molar edgewise and prescription brackets. Ten identical acrylic dental models with retroclined maxillary incisors were fabricated for bonding with various bracket-wire combinations. Edgewise, Roth, and MBT brackets with 0.018- and 0.022-inch slots were bonded in a simulated 2 × 4 clinical scenario. The left central incisor and molar were sectioned and attached to load cells. Correspondingly sized straight and pretorqued NiTi archwires were ligated to the brackets using 0.010-inch ligatures. Each load cell simultaneously measured three force (Fx, Fy, Fz) and three moment (Mx, My, Mz) components. The faciolingual, mesiodistal, and inciso-occluso/apical axes of the teeth corresponded to the x, y, and z axes of the load cells, respectively. Each wire was removed and retested seven times. Three-way analysis of variance (ANOVA) examined the effects of wire type, wire size, and bracket type on the measured orthodontic load systems. Interactions among the three effects were examined and pair-wise comparisons between significant combinations were performed. The force and moment components on each tooth were quantified according to their local coordinate axes. The three-way ANOVA interaction terms were significant for all force and moment measurements (P .05). The pretorqued wire generates a significantly larger incisor facial crown torquing moment in the MBT prescription compared to Roth, edgewise, and the straight NiTi wire.

Active vibration reduction of a flexible structure bonded with optimised piezoelectric pairs using half and quarter chromosomes in genetic algorithms

International Nuclear Information System (INIS)

Daraji, A H; Hale, J M

2012-01-01

The optimal placement of sensors and actuators in active vibration control is limited by the number of candidates in the search space. The search space of a small structure discretized to one hundred elements for optimising the location of ten actuators gives 1.73 × 10 13 possible solutions, one of which is the global optimum. In this work, a new quarter and half chromosome technique based on symmetry is developed, by which the search space for optimisation of sensor/actuator locations in active vibration control of flexible structures may be greatly reduced. The technique is applied to the optimisation for eight and ten actuators located on a 500×500mm square plate, in which the search space is reduced by up to 99.99%. This technique helps for updating genetic algorithm program by updating natural frequencies and mode shapes in each generation to find the global optimal solution in a greatly reduced number of generations. An isotropic plate with piezoelectric sensor/actuator pairs bonded to its surface was investigated using the finite element method and Hamilton's principle based on first order shear deformation theory. The placement and feedback gain of ten and eight sensor/actuator pairs was optimised for a cantilever and clamped-clamped plate to attenuate the first six modes of vibration, using minimization of linear quadratic index as an objective function.

In vivo biofilm formation on stainless steel bonded retainers during different oral health-care regimens.

Science.gov (United States)

Jongsma, Marije A; van der Mei, Henny C; Atema-Smit, Jelly; Busscher, Henk J; Ren, Yijin

2015-03-23

Retention wires permanently bonded to the anterior teeth are used after orthodontic treatment to prevent the teeth from relapsing to pre-treatment positions. A disadvantage of bonded retainers is biofilm accumulation on the wires, which produces a higher incidence of gingival recession, increased pocket depth and bleeding on probing. This study compares in vivo biofilm formation on single-strand and multi-strand retention wires with different oral health-care regimens. Two-centimetre wires were placed in brackets that were bonded to the buccal side of the first molars and second premolars in the upper arches of 22 volunteers. Volunteers used a selected toothpaste with or without the additional use of a mouthrinse containing essential oils. Brushing was performed manually. Regimens were maintained for 1 week, after which the wires were removed and the oral biofilm was collected to quantify the number of organisms and their viability, determine the microbial composition and visualize the bacteria by electron microscopy. A 6-week washout period was employed between regimens. Biofilm formation was reduced on single-strand wires compared with multi-strand wires; bacteria were observed to adhere between the strands. The use of antibacterial toothpastes marginally reduced the amount of biofilm on both wire types, but significantly reduced the viability of the biofilm organisms. Additional use of the mouthrinse did not result in significant changes in biofilm amount or viability. However, major shifts in biofilm composition were induced by combining a stannous fluoride- or triclosan-containing toothpaste with the mouthrinse. These shifts can be tentatively attributed to small changes in bacterial cell surface hydrophobicity after the adsorption of the toothpaste components, which stimulate bacterial adhesion to the hydrophobic oil, as illustrated for a Streptococcus mutans strain.

Molecular Structure And Vibrational Frequencies of Tetrafluoro isophthalonitrile By Hartree-Fock And Density Functional Theory Calculations

International Nuclear Information System (INIS)

Ayikoglu, A.

2008-01-01

The molecular structure, vibrational frequencies and corresponding vibrational assignments of tetrafluoro isophthalonitrile (TFPN) in the ground state have been calculated using the Hartree-Fock (HF) and density functional methods (B3LYP) with 6-311++G (d, p) basis set. The calculations were utilized in the CS symmetry of TFPN. The obtained vibrational frequencies and optimized geometric parameters (bond lengths and bond angles) were seen to be in good agreement with the experimental data. The comparison of the observed and calculated results showed that the B3LYP method is superior to the HF method for both the vibrational frequencies and geometric parameters

Ultrasonic friction power during thermosonic Au and Cu ball bonding

International Nuclear Information System (INIS)

Shah, A; Mayer, M; Zhou, Y; Qin, I; Huynh, C; Meyer, M

2010-01-01

The ultrasonic friction power during thermosonic ball bonding with Au and Cu wires, both 25 μm in diameter, is derived with an improved method from experimental measurements during the bonding process. Experimental data include the current delivered to the ultrasonic transducer and the tangential force measured using piezoresistive microsensors integrated close to the Al bonding pad. The improvement results from a new, more accurate method to derive the mechanical compliance of the ultrasonic system. The method employs a bond process modification in which the ultrasonic current is ramped up sequentially in three steps. In the first two steps, the ultrasonic current is set to levels that are too low to cause sliding. The bonding takes place during the third step, when the current is ramped up to the optimum value required for making good quality bonds. The ultrasonic compliance values are derived from the first two steps and are 8.2 ± 0.5 μm N -1 and 7.7 ± 0.5 μm N -1 for the Au and Cu processes, respectively. These values are determined within an average error estimate of ±6%, substantially lower than the ±10% estimated with a previously reported method. The ultrasonic compliance in the case of Au is 6% higher due to the lower elastic modulus of Au compared with that of Cu. Typical maximum values of relative sliding amplitude of ultrasonic friction at the interface are 655 nm and 766 nm for the Au and Cu processes. These values are 81% of the free-air vibration amplitude of the bonding capillary tip for the respective ultrasonic current settings. Due to bond growth, which damps relative motion between the ball and the pad, the final relative amplitude at the bond interface is reduced to 4% of the equivalent free-air amplitude. Even though the maximum value of relative amplitude is 17% higher in the Cu process compared with the Au process, the average total interfacial sliding is 519 μm in the Cu process, which is 31% lower than that in the Au process (759 �

Wireless vibration-based SHM of caisson-type breakwater under foundation damage

Science.gov (United States)

Lee, So-Young; Nguyen, Khac-Duy; Kim, Jeong-Tae; Yi, Jin-Hak

2012-04-01

This paper presents a vibration-based structural health monitoring (SHM) technique using a high sensitive wireless sensor node for caisson-type breakwater. To achieve the objective, the following approaches are implemented. Firstly, vibration-based SHM method is selected for caisson-type breakwater. The feasibility of the vibration-based SHM method is examined for the caisson structure by FE analysis. Foundation loss damage is considered as the damage of caisson-type breakwater. Secondly, a wireless SHM system with a high sensitive wireless sensor node is designed. The sensor node is built on an imote2 platform. The vibration-based SHM method is embedded on the sensor node. Finally, the performance of the wireless SHM technique is estimated from experimental tests on a lab-scaled caisson. The vibration responses and damage monitoring results are compared with the proposed wireless system and conventional wired system.

Local vibrational modes of the water dimer - Comparison of theory and experiment

Science.gov (United States)

Kalescky, R.; Zou, W.; Kraka, E.; Cremer, D.

2012-12-01

Local and normal vibrational modes of the water dimer are calculated at the CCSD(T)/CBS level of theory. The local H-bond stretching frequency is 528 cm-1 compared to a normal mode stretching frequency of just 143 cm-1. The adiabatic connection scheme between local and normal vibrational modes reveals that the lowering is due to mass coupling, a change in the anharmonicity, and coupling with the local HOH bending modes. The local mode stretching force constant is related to the strength of the H-bond whereas the normal mode stretching force constant and frequency lead to an erroneous underestimation of the H-bond strength.

A space release/deployment system actuated by shape memory wires

Science.gov (United States)

Fragnito, Marino; Vetrella and, Sergio

2002-11-01

In this paper, the design of an innovative hold down/release and deployment device actuated by shape memory wires, to be used for the first time for the S MA RT microsatellite solar wings is shown. The release and deployment mechanisms are actuated by a Shape Memory wire (Nitinol), which allows a complete symmetrical and synchronous release, in a very short time, of the four wings in pairs. The hold down kinematic mechanism is preloaded to avoid vibration nonlinearities and unwanted deployment at launch. The deployment mechanism is a simple pulley system. The stiffness of the deployed panel-hinge system needs to be dimensioned in order to meet the on-orbit requirement for attitude control. One-way roller clutches are used to keep the panel at the desired angle during the mission. An ad hoc software has been developed to simulate both the release and deployment operations, coupling the SMA wire behavior with the system mechanics.

Ab initio structural and vibrational properties of GaAs diamondoids and nanocrystals

Directory of Open Access Journals (Sweden)

Mudar Ahmed Abdulsattar

2014-12-01

Full Text Available Gallium arsenide diamondoids structural and vibrational properties are investigated using density functional theory at the PBE/6-31(d level and basis including polarization functions. Variation of energy gap as these diamondoids increase in size is seen to follow confinement theory for diamondoids having nearly equiaxed dimensions. Density of energy states transforms from nearly single levels to band structure as we reach larger diamondoids. Bonds of surface hydrogen with As atoms are relatively localized and shorter than that bonded to Ga atoms. Ga-As bonds have a distribution range of values due to surface reconstruction and effect of bonding to hydrogen atoms. Experimental bulk Ga-As bond length (2.45 Å is within this distribution range. Tetrahedral and dihedral angles approach values of bulk as we go to higher diamondoids. Optical-phonon energy of larger diamondoids stabilizes at 0.037 eV (297 cm-1 compared to experimental 0.035 eV (285.2 cm-1. Ga-As force constant reaches 1.7 mDyne/Å which is comparable to Ga-Ge force constant (1.74 mDyne/Å. Hydrogen related vibrations are nearly constant and serve as a fingerprint of GaAs diamondoids while Ga-As vibrations vary with size of diamondoids.

The Quantum Socket: Wiring for Superconducting Qubits - Part 2

Science.gov (United States)

Bejanin, J. H.; McConkey, T. G.; Rinehart, J. R.; Bateman, J. D.; Earnest, C. T.; McRae, C. H.; Rohanizadegan, Y.; Shiri, D.; Mariantoni, M.; Penava, B.; Breul, P.; Royak, S.; Zapatka, M.; Fowler, A. G.

Quantum computing research has reached a level of maturity where quantum error correction (QEC) codes can be executed on linear arrays of superconducting quantum bits (qubits). A truly scalable quantum computing architecture, however, based on practical QEC algorithms, requires nearest neighbor interaction between qubits on a two-dimensional array. Such an arrangement is not possible with techniques that rely on wire bonding. To address this issue, we have developed the quantum socket, a device based on three-dimensional wires that enables the control of superconducting qubits on a two-dimensional grid. In this talk, we present experimental results characterizing this type of wiring. We will show that the quantum socket performs exceptionally well for the transmission and reflection of microwave signals up to 10 GHz, while minimizing crosstalk between adjacent wires. Under realistic conditions, we measured an S21 of -5 dB at 6 GHz and an average crosstalk of -60 dB. We also describe time domain reflectometry results and arbitrary pulse transmission tests, showing that the quantum socket can be used to control superconducting qubits.

Monothiodibenzoylmethane: Structural and vibrational assignments

DEFF Research Database (Denmark)

Hansen, Bjarke Knud Vilster; Gorski, Alexander; Posokhov, Yevgen

2007-01-01

vibrational spectra were compared with theoretical transitions obtained with B3LYP/cc-pVTZ density functional theory (DFT). The results leave no doubt that the stable ground state configuration of TDBM corresponds to the intramolecularly hydrogen bonded enol form (e-CCC), and that the photoproduct corresponds...

Gold recovery from printed wiring board using bioleaching

Energy Technology Data Exchange (ETDEWEB)

Kita, Y. [Faculty of Engineering, Osaka Univ. (Japan); Nishikawa, H. [Center for Advanced Science and Innovation, Osaka Univ. (Japan); Takemoto, T. [Joining and Welding Research Inst., Osaka Univ. (Japan)

2004-07-01

In the electronic assembly, gold is frequently used as surface plating and a bonding wire. To recover gold from waste electronics, the dissolution process using cyan is a popular method, however, the solution is highly toxic. Accordingly, the environmentally conscious substitute process is preferable. In this study the possibility of Au dissolution from printed wiring boards using bioleaching has been investigated. Chromobacterium violaceum having ability of cyanide formation was used to dissolve Au. The printed wiring boards with gold plating of 0.07nm in thickness were immersed in synthetic medium with C. violaceum. After immersion test for 480h, the gold plating was completely dissolved. The increase in cyanide concentration gave little effect on the enhancement of dissolution of gold, however, the dissolution rate of Au was increased with increasing of dissolved oxygen in the medium. Chromobacterium violaceum produced 0.8mmol/l cyanide but it also decomposed about 60% of cyanide generated, therefore, this dissolution process could be used as an environmentally conscious method. (orig.)

Effect of wire shape on wire array discharge

International Nuclear Information System (INIS)

Shimomura, N.; Tanaka, Y.; Yushita, Y.; Nagata, M.; Teramoto, Y.; Katsuki, S.; Akiyama, H.

2001-01-01

Although considerable investigations have been reported on z-pinches to achieve nuclear fusion, little attention has been given from the point of view of how a wire array consisting of many parallel wires explodes. Instability existing in the wire array discharge has been shown. In this paper, the effect of wire shape in the wire array on unstable behavior of the wire array discharge is represented by numerical analysis. The claws on the wire formed in installation of wire may cause uniform current distribution on wire array. The effect of error of wire diameter in production is computed by Monte Carlo Method. (author)

Effect of wire shape on wire array discharge

Energy Technology Data Exchange (ETDEWEB)

Shimomura, N.; Tanaka, Y.; Yushita, Y.; Nagata, M. [University of Tokushima, Department of Electrical and Electronic Engineering, Tokushima (Japan); Teramoto, Y.; Katsuki, S.; Akiyama, H. [Kumamoto University, Department of Electrical and Computer Engineering, Kumamoto (Japan)

2001-09-01

Although considerable investigations have been reported on z-pinches to achieve nuclear fusion, little attention has been given from the point of view of how a wire array consisting of many parallel wires explodes. Instability existing in the wire array discharge has been shown. In this paper, the effect of wire shape in the wire array on unstable behavior of the wire array discharge is represented by numerical analysis. The claws on the wire formed in installation of wire may cause uniform current distribution on wire array. The effect of error of wire diameter in production is computed by Monte Carlo Method. (author)

Unexpected complications of bonded mandibular lingual retainers.

NARCIS (Netherlands)

Katsaros, C.; Livas, C.; Renkema, A.M.

2007-01-01

INTRODUCTION: The flexible spiral wire (FSW) retainer is the most frequently used type of fixed retainer bonded on all 6 anterior teeth. Our aim in this article was to demonstrate unexpected posttreatment changes in the labiolingual position of the mandibular anterior teeth associated with the use

Intramolecular hydrogen bonding in N-salicylideneaniline: FT-IR spectrum and quantum chemical calculations

Science.gov (United States)

Moosavi-Tekyeh, Zainab; Dastani, Najmeh

2015-12-01

FT-IR and FT-Raman spectra of N-salicylideneaniline (SAn) and its deuterated analogue (D-SAn) are recorded, and the theoretical calculations are performed on their molecular structures and vibrational frequencies. The same calculations are performed for SAn in different solutions using the polarizable conductor continuum model (CPCM) method. Comparisons between the spectra obtained and the corresponding theoretical calculations are used to assign the vibrational frequencies for these compounds. The spectral behavior of SAn upon deuteration is also used to distinguish the positions of OH vibrational frequencies. The hydrogen bond strength of SAn is investigated by applying the atoms-in-molecules (AIM) theory, natural bond orbital (NBO) analysis, and geometry calculations. The harmonic vibrational frequencies of SAn are calculated at B3LYP and X3LYP levels of theory using 6-31G*, 6-311G**, and 6-311++G** basis sets. The AIM results support a medium hydrogen bonding in SAn. The observed νOH/νOD and γOH/γOD for SAn appear at 2940/2122 and 830/589 cm-1, respectively.

Raman study of vibrational dynamics of aminopropylsilanetriol in gas phase

Science.gov (United States)

Volovšek, V.; Dananić, V.; Bistričić, L.; Movre Šapić, I.; Furić, K.

2014-01-01

Raman spectrum of aminopropylsilanetriol (APST) in gas phase has been recorded at room temperature in macro chamber utilizing two-mirror technique over the sample tube. Unlike predominantly trans molecular conformation in condensed phase, the spectra of vapor show that the molecules are solely in gauche conformation with intramolecular hydrogen bond N⋯Hsbnd O which reduces the molecular energy in respect to trans conformation by 0.152 eV. The assignment of the molecular spectra based on the DFT calculation is presented. The strong vibrational bands at 354 cm-1, 588 cm-1 and 3022 cm-1 are proposed for verifying the existence of the ring like, hydrogen bonded structure. Special attention was devoted to the high frequency region, where hydrogen bond vibrations are coupled to stretchings of amino and silanol groups.

Analysis of molecular structure and vibrational spectra of hexadecyl (cetyl) trimethylammonium brode (CTAB)

International Nuclear Information System (INIS)

Goekce, H.; Bahceli, S.

2010-01-01

FT-IR and Raman spectra of CTAB [C 1 6H 3 3N(CH 3 ) 3 ] + Br - have been experimentally recorded in the region 550-4000 cm - 1 and 400-3100 cm - 1, respectively. The molecular geometry and vibrational frequencies of CTAB in the ground state have been calculated by using ab initio Hartree-Fock (HF) and density functional theory (DFT/B3LYP) methods with the 6-31+G(d,p) basis set. The obtained optimized geometric parameters (bond lengths and bond angles) and vibrational frequencies were in very good agreement with the experimental data. The comparisons of the observed fundamental vibrational frequencies and calculated results for the fundamental vibrational frequencies of CTAB shows that the scaled B3LYP method is superior compared to the scaled HF method.

Modal Analysis of In-Wheel Motor-Driven Electric Vehicle Based on Bond Graph Theory

Directory of Open Access Journals (Sweden)

Di Tan

2017-01-01

Full Text Available A half-car vibration model of an electric vehicle driven by rear in-wheel motors was developed using bond graph theory and the modular modeling method. Based on the bond graph model, modal analysis was carried out to study the vibration characteristics of the electric vehicle. To verify the effectiveness of the established model, the results were compared to ones computed on the ground of modal analysis and Newton equations. The comparison shows that the vibration model of the electric vehicle based on bond graph theory not only is able to better compute the natural frequency but also can easily determine the deformation mode, momentum mode, and other isomorphism modes and describe the dynamic characteristics of an electric vehicle driven by in-wheel motors more comprehensively than other modal analysis methods.

The effects of silver coating on friction coefficient and shear bond strength of steel orthodontic brackets.

Science.gov (United States)

Arash, Valiollah; Anoush, Keivan; Rabiee, Sayed Mahmood; Rahmatei, Manuchehr; Tavanafar, Saeid

2015-01-01

Aims of the present study was to measure frictional resistance between silver coated brackets and different types of arch wires, and shear bond strength of these brackets to the tooth. In an experimental clinical research 28 orthodontic brackets (standard, 22 slots) were coated with silver ions using electroplate method. Six brackets (coated: 3, uncoated: 3) were evaluated with Scanning Electron Microscopy and Atomic Force Microscopy. The amount of friction in 15 coated brackets was measured with three different kinds of arch wires (0.019 × 0.025-in stainless steel [SS], 0.018-in stainless steel [SS], 0.018-in Nickel-Titanium [Ni-Ti]) and compared with 15 uncoated steel brackets. In addition, shear bond strength values were compared between 10 brackets with silver coating and 10 regular brackets. Universal testing machine was used to measure shear bond strength and the amount of friction between the wires and brackets. SPSS 18 was used for data analysis with t-test. SEM and AFM results showed deposition of a uniform layer of silver, measuring 8-10 μm in thickness on bracket surfaces. Silver coating led to higher frictional forces in all the three types of arch wires, which was statistically significant in 0.019 × 0.025-in SS and 0.018-in Ni-Ti, but it did not change the shear bond strength significantly. Silver coating with electroplating method did not affect the bond strength of the bracket to enamel; in addition, it was not an effective method for decreasing friction in sliding mechanics. © Wiley Periodicals, Inc.

Vibrational spectra of aminoacetonitrile

International Nuclear Information System (INIS)

Bak, B.; Hansen, E.L.; Nicolaisen, F.M.; Nielsen, O.F.

1975-01-01

The preparation of pure, stable aminoacetonitrile(1-amino, 1'-cyanomethane)CH 2 NH 2 CN (1) is described. The Raman spectrum, now complete, and a novel infrared spectrum extending over the 50-3600 cm -1 region are reported. A tentative normal vibration analysis is presented and supported by Raman and infrared data from the spectra of CH 2 NHDCN (2) and CH 2 ND 2 CN (3). The predominance of the trans rotamer may be attributed to intramolecular hydrogen bonding but this is too unimportant to influence the vibrational frequencies of gaseous 1, 2, and 3. However, large gas/liquid frequency shifts occur. (author)

Trimeric Hydrogen Bond in Geometrically Frustrated Hydroxyl Cobalt Halogenides

International Nuclear Information System (INIS)

Xiao-Dong, Liu; Masato, Hagihala; Xu-Guang, Zheng; Dong-Dong, Meng; Wan-Jun, Tao; Sen-Lin, Zhang; Qi-Xin, Guo

2011-01-01

The mid-infrared absorption spectra of geometrically frustrated hydroxyl cobalt halogenides Co 2 (OH) 3 Cl and Co 2 (OH) 3 Br are measured by FTIR spectrometers, and the stretching vibrational modes of hydroxyl groups are found to be 3549cm −1 and 3524cm −1 respectively. Through finding their true terminal O-H group stretching vibration frequencies, we obtain 107cm −1 and 99cm −1 red shift caused by the corresponding O-H···Cl and O-H···Br hydrogen bonds. Rarely reported trimeric hydrogen bonds (Co 3 ≡O-H) 3 ···Cl/Br are pointed out to demonstrate the relative weakness of this kind of hydrogen bond which may have a critical effect on the lattice symmetry and magnetic structures. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations

Science.gov (United States)

Sert, Yusuf; Çırak, Çağrı; Ucun, Fatih

2013-04-01

In the present study, the experimental and theoretical harmonic and anharmonic vibrational frequencies of 4-chloro-3-nitrobenzonitrile were investigated. The experimental FT-IR (400-4000 cm-1) and μ-Raman spectra (100-4000 cm-1) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) were calculated using ab initio Hartree Fock (HF), density functional B3LYP and M06-2X methods with 6-311++G(d,p) basis set by Gaussian 09 W program, for the first time. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. The theoretical optimized geometric parameters and vibrational frequencies were compared with the corresponding experimental data, and they were seen to be in a good agreement with each other. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies were found.

Vibration control of a flexible rotor suspended by shape memory alloy wires

DEFF Research Database (Denmark)

Alves, Marco Túlio Santana; Steffen Jr., Valder; Castro dos Santos, Marina

2018-01-01

The present contribution is devoted to the study of the influence of shape memory alloys on the dynamic behavior of flexible rotors. In this sense, a suspension composed by pseudoelastic shape memory alloy wires that are connected to a rotor-bearing test rig was designed. To evaluate the performa...

HBr Formation from the Reaction between Gas-phase Bromine Atom and Vibrationally Excited Chemisorbed Hydrogen Atoms on a Si(001)-(2 x 1) Surface

International Nuclear Information System (INIS)

Ree, J.; Yoon, S. H.; Park, K. G.; Kim, Y. H.

2004-01-01

We have calculated the probability of HBr formation and energy disposal of the reaction exothermicity in HBr produced from the reaction of gas-phase bromine with highly covered chemisorbed hydrogen atoms on a Si (001)-(2 x 1) surface. The reaction probability is about 0.20 at gas temperature 1500 K and surface temperature 300 K. Raising the initial vibrational state of the adsorbate(H)-surface(Si) bond from the ground to v = 1, 2 and 3 states causes the vibrational, translational and rotational energies of the product HBr to increase equally. However, the vibrational and translational motions of product HBr share most of the reaction energy. Vibrational population of the HBr molecules produced from the ground state adsorbate-surface bond (vHSi = 0) follows the Boltzmann distribution, but it deviates seriously from the Boltzmann distribution when the initial vibrational energy of the adsorbate-surface bond increases. When the vibration of the adsorbate-surface bond is in the ground state, the amount of energy dissipated into the surface is negative, while it becomes positive as vHSi increases. The energy distributions among the various modes weakly depends on surface temperature in the range of 0-600 K, regardless of the initial vibrational state of H(ad)-Si(s) bond

Intra- versus Intermolecular Hydrogen Bonding: Solvent-Dependent Conformational Preferences of a Common Supramolecular Binding Motif from 1 H NMR and Vibrational Circular Dichroism Spectra.

Science.gov (United States)

Demarque, Daniel P; Merten, Christian

2017-12-19

When predicting binding properties of small molecules or larger supramolecular aggregates, intra- and intermolecular hydrogen bonds are often considered the most important factor. Spectroscopic techniques such as 1 H NMR spectroscopy are typically utilized to characterize such binding events, but interpretation is often qualitative and follows chemical intuition. In this study, we compare the effects of intramolecular hydrogen bonding and solvation on two chiral 2,6-pyridinediyl-dialkylamides. In comparison with 1 H NMR spectroscopy, vibrational circular dichroism (VCD) spectroscopy proved to be more sensitive to conformational changes. In fact, the change of the solvent from CDCl 3 to [D 6 ]DMSO generates mirror-image VCD spectra for the same enantiomer. Here, the common sense that the sterically less hindered group is more prone to solvation proved to be wrong according predicted VCD spectra, which clearly show that both asymmetric amide hydrogens are equally likely to be solvated, but never simultaneously. The competition between intra- and intermolecular hydrogen bonding and their importance for a correct prediction of spectral properties are discussed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fast and High Accuracy Wire Scanner

CERN Document Server

Koujili, M; Koopman, J; Ramos, D; Sapinski, M; De Freitas, J; Ait Amira, Y; Djerdir, A

2009-01-01

Scanning of a high intensity particle beam imposes challenging requirements on a Wire Scanner system. It is expected to reach a scanning speed of 20 m.s-1 with a position accuracy of the order of 1 μm. In addition a timing accuracy better than 1 millisecond is needed. The adopted solution consists of a fork holding a wire rotating by a maximum of 200°. Fork, rotor and angular position sensor are mounted on the same axis and located in a chamber connected to the beam vacuum. The requirements imply the design of a system with extremely low vibration, vacuum compatibility, radiation and temperature tolerance. The adopted solution consists of a rotary brushless synchronous motor with the permanent magnet rotor installed inside of the vacuum chamber and the stator installed outside. The accurate position sensor will be mounted on the rotary shaft inside of the vacuum chamber, has to resist a bake-out temperature of 200°C and ionizing radiation up to a dozen of kGy/year. A digital feedback controller allows maxi...

Measurement of the geometric parameters of power contact wire based on binocular stereovision

Science.gov (United States)

Pan, Xue-Tao; Zhang, Ya-feng; Meng, Fei

2010-10-01

In the electrified railway power supply system, electric locomotive obtains power from the catenary's wire through the pantograph. Under the action of the pantograph, combined with various factors such as vibration, touch current, relative sliding speed, load, etc, the contact wire will produce mechanical wear and electrical wear. Thus, in electrified railway construction and daily operations, the geometric parameters such as line height, pull value, the width of wear surface must be under real-timely and non-contact detection. On the one hand, the safe operation of electric railways will be guaranteed; on the other hand, the wire endurance will be extended, and operating costs reduced. Based on the characteristics of the worn wires' image signal, the binocular stereo vision technology was applied for measurement of contact wire geometry parameters, a mathematical model of measurement of geometric parameters was derived, and the boundaries of the wound wire abrasion-point value were extracted by means of sub-pixel edge detection method based on the LOG operator with the least-squares fitting, thus measurements of the wire geometry parameters were realized. Principles were demonstrated through simulation experiments, and the experimental results show that the detection methods presented in this paper for measuring the accuracy, efficiency and convenience, etc. are close to or superior to the traditional measurements, which has laid a good foundation for the measurement system of geometric parameters for the contact wire of the development of binocular vision.

Wireless sensing and vibration control with increased redundancy and robustness design.

Science.gov (United States)

Li, Peng; Li, Luyu; Song, Gangbing; Yu, Yan

2014-11-01

Control systems with long distance sensor and actuator wiring have the problem of high system cost and increased sensor noise. Wireless sensor network (WSN)-based control systems are an alternative solution involving lower setup and maintenance costs and reduced sensor noise. However, WSN-based control systems also encounter problems such as possible data loss, irregular sampling periods (due to the uncertainty of the wireless channel), and the possibility of sensor breakdown (due to the increased complexity of the overall control system). In this paper, a wireless microcontroller-based control system is designed and implemented to wirelessly perform vibration control. The wireless microcontroller-based system is quite different from regular control systems due to its limited speed and computational power. Hardware, software, and control algorithm design are described in detail to demonstrate this prototype. Model and system state compensation is used in the wireless control system to solve the problems of data loss and sensor breakdown. A positive position feedback controller is used as the control law for the task of active vibration suppression. Both wired and wireless controllers are implemented. The results show that the WSN-based control system can be successfully used to suppress the vibration and produces resilient results in the presence of sensor failure.

Vibrational zero point energy for H-doped silicon

Science.gov (United States)

Karazhanov, S. Zh.; Ganchenkova, M.; Marstein, E. S.

2014-05-01

Most of the studies addressed to computations of hydrogen parameters in semiconductor systems, such as silicon, are performed at zero temperature T = 0 K and do not account for contribution of vibrational zero point energy (ZPE). For light weight atoms such as hydrogen (H), however, magnitude of this parameter might be not negligible. This Letter is devoted to clarify the importance of accounting the zero-point vibrations when analyzing hydrogen behavior in silicon and its effect on silicon electronic properties. For this, we estimate the ZPE for different locations and charge states of H in Si. We show that the main contribution to the ZPE is coming from vibrations along the Si-H bonds whereas contributions from other Si atoms apart from the direct Si-H bonds play no role. It is demonstrated that accounting the ZPE reduces the hydrogen formation energy by ˜0.17 eV meaning that neglecting ZPE at low temperatures one can underestimate hydrogen solubility by few orders of magnitude. In contrast, the effect of the ZPE on the ionization energy of H in Si is negligible. The results can have important implications for characterization of vibrational properties of Si by inelastic neutron scattering, as well as for theoretical estimations of H concentration in Si.

The Quantum Socket: Wiring for Superconducting Qubits - Part 1

Science.gov (United States)

McConkey, T. G.; Bejanin, J. H.; Rinehart, J. R.; Bateman, J. D.; Earnest, C. T.; McRae, C. H.; Rohanizadegan, Y.; Shiri, D.; Mariantoni, M.; Penava, B.; Breul, P.; Royak, S.; Zapatka, M.; Fowler, A. G.

Quantum systems with ten superconducting quantum bits (qubits) have been realized, making it possible to show basic quantum error correction (QEC) algorithms. However, a truly scalable architecture has not been developed yet. QEC requires a two-dimensional array of qubits, restricting any interconnection to external classical systems to the third axis. In this talk, we introduce an interconnect solution for solid-state qubits: The quantum socket. The quantum socket employs three-dimensional wires and makes it possible to connect classical electronics with quantum circuits more densely and accurately than methods based on wire bonding. The three-dimensional wires are based on spring-loaded pins engineered to insure compatibility with quantum computing applications. Extensive design work and machining was required, with focus on material quality to prevent magnetic impurities. Microwave simulations were undertaken to optimize the design, focusing on the interface between the micro-connector and an on-chip coplanar waveguide pad. Simulations revealed good performance from DC to 10 GHz and were later confirmed against experimental measurements.

A study of vibrational spectra and investigations of charge transfer and chemical bonding features of 2-chloro benzimidazole based on DFT computations

Science.gov (United States)

Muthunatesan, S.; Ragavendran, V.

2015-01-01

Benzimidazoles are bicyclic heteroatomic molecules. Polycyclic heteroatomic molecules have extensive coupling of different modes leading to strong coupling of force constants associated with the various chemical bonds of the molecules. To carry out a detailed vibrational spectroscopic analysis of such a bicyclic heteroatomic molecule, FT-IR and FT-Raman spectra of 2-chloro benzimidazole (CBZ) have been recorded in the condensed phase. Density Functional Theory calculations in the B3LYP/6-31G* level have been carried out to determine the optimized geometry and vibrational frequencies. In order to obtain a close agreement between theoretical and observed frequencies and hence to perform a reliable assignment, the theoretical DFT force field was transformed from Cartesian to local symmetry co-ordinates and then scaled empirically using SQM methodology. The SQM treatment resulted in a RMS deviation of 9.4 cm-1. For visual comparison, the observed and calculated spectra are presented on a common wavenumber scale. From the NBO analysis, the electron density (ED) charge transfers in the σ* and π* antibonding orbitals and second order delocalization energies E(2) confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. The calculated Homo and Lumo energies show that charge transfer occurs within the molecule. The results obtained from the vibrational, NBO and HOMO-LUMO analyses have been properly tabulated.

Theoretical research on effects of substituents and the solvent on quadruple hydrogen bonded complexes

Directory of Open Access Journals (Sweden)

Lingjia Xu

2007-04-01

Full Text Available Semiempirical AM1 and INDO/CIS methods were used to study the structures and spectroscopy of hydrogen bonded complexes formed by the oligophenyleneethynylene (monomer A with isophthalic acid (monomer B. The binding energies of the complexes are lowered by increasing electron-donating abilities of the substituents near the hydrogen bonds on monomer A. The first absorptions in the electronic spectra and the vibration frequencies of the N-H bonds in the IR spectra for the complexes are both red-shifted compared with those of the monomers. The presence of dimethylsulfoxide (DMSO can reduce the binding energy of the complex through hydrogen bonding. This results in a blue-shift for the first absorption in the electronic spectrum and red-shift for the vibration frequencies of the N-H bonds in the IR spectrum of the complex.

Hydrogen Bonding to Alkanes: Computational Evidence

DEFF Research Database (Denmark)

Hammerum, Steen; Olesen, Solveig Gaarn

2009-01-01

The structural, vibrational, and energetic properties of adducts of alkanes and strong cationic proton donors were studied with composite ab initio calculations. Hydrogen bonding in [D-H+ H-alkyl] adducts contributes to a significant degree to the interactions between the two components, which is...

Infrared matrix isolation study of hydrogen bonds involving C-H bonds: Substituent effects

International Nuclear Information System (INIS)

Jeng, M.L.H.; Ault, B.S.

1989-01-01

The matrix isolation technique combined with infrared spectroscopy has been employed to isolate and characterize hydrogen-bonded complexes between a series of substituted alkynes and several oxygen and nitrogen bases. Distinct evidence for hydrogen bond formation was observed in each case, with a characteristic red shift of the hydrogen stretching motion ν r . Shifts between 100 and 300 cm -1 were observed, the largest being for the complex of CF 3 CCH with (CH 3 ) 3 N. The perturbed carbon-carbon triple bond stretching vibration was observed for most complexes, as was the alkynic hydrogen bending motion. Attempts were made to correlate the magnitude of the red shift of ν s with substituent constants for the different substituted alkynes; a roughly linear correlation was found with the Hammett σ parameter. Lack of correlation Δν s with either σ 1 or σ R alone suggests that both inductive and resonance contributions to the strength of the hydrogen-bonding interaction are important

Transition from metal-ligand bonding to halogen bonding involving a metal as halogen acceptor a study of Cu, Ag, Au, Pt, and Hg complexes

Science.gov (United States)

Oliveira, Vytor; Cremer, Dieter

2017-08-01

Utilizing all-electron Dirac-exact relativistic calculations with the Normalized Elimination of the Small Component (NESC) method and the local vibrational mode approach, the transition from metal-halide to metal halogen bonding is determined for Au-complexes interacting with halogen-donors. The local stretching force constants of the metal-halogen interactions reveal a smooth transition from weak non-covalent halogen bonding to non-classical 3-center-4-electron bonding and finally covalent metal-halide bonding. The strongest halogen bonds are found for dialkylaurates interacting with Cl2 or FCl. Differing trends in the intrinsic halogen-metal bond strength, the binding energy, and the electrostatic potential are explained.

NiTi bonded space regainer/maintainer

Directory of Open Access Journals (Sweden)

Negi K

2010-06-01

Full Text Available Early orthodontic interventions are often initiated in the developing dentition to promote favorable developmental changes. Interceptive orthodontic can eliminate or reduce the severity of a developing malocclusion, the complexity of orthodontic treatment, overall treatment time and cost. Premature loss of deciduous tooth or teeth can often destroy the integrity of normal occlusion. There are many space regaining and maintaining devices mentioned in literature. In this article, I present a simple space regaining method by a piece of nickel titanium (NiTi wire bonded between the teeth in active loop form, and the unique shape memory property of NiTi wire will upright or move the teeth and the lost space can be regained easily.

Vibrational studies of Thyroxine hormone: Comparative study with quantum chemical calculations

Science.gov (United States)

Borah, Mukunda Madhab; Devi, Th. Gomti

2017-11-01

The FTIR and Raman techniques have been used to record spectra of Thyroxine. The stable geometrical parameters and vibrational wave numbers were calculated based on potential energy distribution (PED) using vibrational energy distribution analysis (VEDA) program. The vibrational energies are assigned to monomer, chain dimer and cyclic dimers of this molecule using the basis set B3LYP/LANL2DZ. The computational scaled frequencies are in good agreements with the experimental results. The study is extended to calculate the HOMO-LUMO energy gap, Molecular Electrostatic Potential (MEP) surface, hardness (η), chemical potential (μ), Global electrophilicity index (ω) and different thermo dynamical properties of Thyroxine in different states. The calculated HOMO-LUMO energies show the charge transfer occurs within the molecule. The calculated Natural bond orbital (NBO) analysis confirms the presence of intra-molecular charge transfer as well as the hydrogen bonding interaction.

Bond-selective control of a gas-surface reaction

Science.gov (United States)

Killelea, Daniel R.

The prospect of using light to selectively control chemical reactions has tantalized chemists since the development of the laser. Unfortunately, the realization of laser-directed chemistry is frequently thwarted by the randomization of energy within the molecule through intramolecular vibrational energy distribution (IVR). However, recent results showing vibrational mode-specific reactivity on metal surfaces suggest that IVR may not always be complete for gas-surface reactions. Here, we combine molecular beam techniques and direct laser excitation to characterize the bond-specific reactivity of trideuteromethane on a Ni(111) surface. Our results reveal important details about how vibrational energy is distributed in the reactive molecule. We use a molecular beam to direct state-selected trideuteromethane (CHD 3) molecules onto a nickel single crystal sample and use the results we obtain to describe the flow of vibrational energy in the methane-surface reaction complex. We show that CHD3 molecules initially excited to v=1, J=2, K=0 of the v 1 symmetric C-H stretching mode will dissociate exclusively via C-H cleavage on Ni(111). This result highlights the localization of vibrational energy in the reaction complex, despite the presence of many energy exchange channels with the high state-density surface. We demonstrate, for the first time, highly parallel bond-selective control of a heterogeneously catalyzed reaction. We place our results in the context of recent experiments investigating IVR for molecules in both the gas phase and liquid solutions. If IVR is fast on the reaction timescale, vibrational energy would be randomly distributed throughout the nascent methane-surface reaction complex and vibrational mode-specific behavior would not occur. The short timescale of a direct gas-surface collision may explain how the exchange of energy via IVR is limited to only a small subset of the energetic configurations available to the reaction complex. This framework

Hot fuel examination facility element spacer wire-wrap machine

International Nuclear Information System (INIS)

Tobias, D.A.; Sherman, E.K.

1989-01-01

Nondestructive examinations of irradiated experimental fuel elements conducted in the Argonne National Laboratory Hot Fuel Examination Facility/North (HFEF/N) at the Idaho National Engineering Laboratory include laser and contact profilometry (element diameter measurements), electrical eddy-current testing for cladding and thermal bond defects, bow and length measurements, neutron radiography, gamma scanning, remote visual exam, and photography. Profilometry was previously restricted to spiral profilometry of the element to prevent interference with the element spacer wire wrapped in a helix about the Experimental Breeder Reactor II (EBR-II)-type fuel element from end to end. By removing the spacer wire prior to conducting profilometry examination, axial profilometry techniques may be used, which are considerably faster than spiral techniques and often result in data acquisition more important to experiment sponsors. Because the element must often be reinserted into the nuclear reactor (EBR-II) for additional irradiation, however, the spacer wire must be reinstalled on the highly irradiated fuel element by remote means after profilometry of the wireless elements. The element spacer wire-wrap machine developed at HFEF is capable of helically wrapping fuel elements with diameters up to 1.68 cm (0.660 in.) and 2.44-m (96-in.) lengths. The machine can accommodate almost any desired wire pitch length by simply inserting a new wrapper gear module

Structural, vibrational and bonding properties of hydro-nitrogen ...

Indian Academy of Sciences (India)

Strength of secondary bonds is approximately one tenth ... are weaker, they play significant role in determining the stability of ... actions play major role in crystal binding, physical ... ties of HZA using vdW-TS method at ambient as well.

Conformational and vibrational reassessment of solid paracetamol

Science.gov (United States)

Amado, Ana M.; Azevedo, Celeste; Ribeiro-Claro, Paulo J. A.

2017-08-01

This work provides an answer to the urge for a more detailed and accurate knowledge of the vibrational spectrum of the widely used analgesic/antipyretic drug commonly known as paracetamol. A comprehensive spectroscopic analysis - including infrared, Raman, and inelastic neutron scattering (INS) - is combined with a computational approach which takes account for the effects of intermolecular interactions in the solid state. This allows a full reassessment of the vibrational assignments for Paracetamol, thus preventing the propagation of incorrect data analysis and misassignments already found in the literature. In particular, the vibrational modes involving the hydrogen-bonded Nsbnd H and Osbnd H groups are correctly reallocated to bands shifted by up to 300 cm- 1 relatively to previous assignments.

Intramolecular Vibrational Energy Transfer and Bond-Selected Photochemistry in Liquids

National Research Council Canada - National Science Library

Crim, F

2001-01-01

.... In the gas phase experiments, one pulse excited the first overtone of the O-H stretching vibration in nitric acid and the second pulse probed the excited molecule by excitation to a dissociative...

Effect of quantum nuclear motion on hydrogen bonding

Science.gov (United States)

McKenzie, Ross H.; Bekker, Christiaan; Athokpam, Bijyalaxmi; Ramesh, Sai G.

2014-05-01

This work considers how the properties of hydrogen bonded complexes, X-H⋯Y, are modified by the quantum motion of the shared proton. Using a simple two-diabatic state model Hamiltonian, the analysis of the symmetric case, where the donor (X) and acceptor (Y) have the same proton affinity, is carried out. For quantitative comparisons, a parametrization specific to the O-H⋯O complexes is used. The vibrational energy levels of the one-dimensional ground state adiabatic potential of the model are used to make quantitative comparisons with a vast body of condensed phase data, spanning a donor-acceptor separation (R) range of about 2.4 - 3.0 Å, i.e., from strong to weak hydrogen bonds. The position of the proton (which determines the X-H bond length) and its longitudinal vibrational frequency, along with the isotope effects in both are described quantitatively. An analysis of the secondary geometric isotope effect, using a simple extension of the two-state model, yields an improved agreement of the predicted variation with R of frequency isotope effects. The role of bending modes is also considered: their quantum effects compete with those of the stretching mode for weak to moderate H-bond strengths. In spite of the economy in the parametrization of the model used, it offers key insights into the defining features of H-bonds, and semi-quantitatively captures several trends.

Effect of quantum nuclear motion on hydrogen bonding

International Nuclear Information System (INIS)

McKenzie, Ross H.; Bekker, Christiaan; Athokpam, Bijyalaxmi; Ramesh, Sai G.

2014-01-01

This work considers how the properties of hydrogen bonded complexes, X–H⋯Y, are modified by the quantum motion of the shared proton. Using a simple two-diabatic state model Hamiltonian, the analysis of the symmetric case, where the donor (X) and acceptor (Y) have the same proton affinity, is carried out. For quantitative comparisons, a parametrization specific to the O–H⋯O complexes is used. The vibrational energy levels of the one-dimensional ground state adiabatic potential of the model are used to make quantitative comparisons with a vast body of condensed phase data, spanning a donor-acceptor separation (R) range of about 2.4 − 3.0 Å, i.e., from strong to weak hydrogen bonds. The position of the proton (which determines the X–H bond length) and its longitudinal vibrational frequency, along with the isotope effects in both are described quantitatively. An analysis of the secondary geometric isotope effect, using a simple extension of the two-state model, yields an improved agreement of the predicted variation with R of frequency isotope effects. The role of bending modes is also considered: their quantum effects compete with those of the stretching mode for weak to moderate H-bond strengths. In spite of the economy in the parametrization of the model used, it offers key insights into the defining features of H-bonds, and semi-quantitatively captures several trends

Molecular rotation-vibration dynamics of low-symmetric hydrate crystal in the terahertz region.

Science.gov (United States)

Fu, Xiaojian; Wu, Hongya; Xi, Xiaoqing; Zhou, Ji

2014-01-16

The rotational and vibrational dynamics of molecules in copper sulfate pentahydrate crystal are investigated with terahertz dielectric spectra. It is shown that the relaxation-like dielectric dispersion in the low frequency region is related to the reorientation of water molecules under the driving of terahertz electric field, whereas the resonant dispersion can be ascribed to lattice vibration. It is also found that, due to the hydrogen-bond effect, the vibrational mode at about 1.83 THz along [-111] direction softens with decreasing temperature, that is, the crystal expands in this direction when cooled. On the contrary, the mode hardens in the direction perpendicular to [-111] during the cooling process. This contributes to the further understanding of the molecular structure and bonding features of hydrate crystals.

Vibrational and Rotational Energy Relaxation in Liquids

DEFF Research Database (Denmark)

Petersen, Jakob

Vibrational and rotational energy relaxation in liquids are studied by means of computer simulations. As a precursor for studying vibrational energy relaxation of a solute molecule subsequent to the formation of a chemical bond, the validity of the classical Bersohn-Zewail model for describing......, the vibrational energy relaxation of I2 subsequent to photodissociation and recombination in CCl4 is studied using classical Molecular Dynamics simulations. The vibrational relaxation times and the time-dependent I-I pair distribution function are compared to new experimental results, and a qualitative agreement...... is found in both cases. Furthermore, the rotational energy relaxation of H2O in liquid water is studied via simulations and a power-and-work analysis. The mechanism of the energy transfer from the rotationally excited H2O molecule to its water neighbors is elucidated, i.e. the energy-accepting degrees...

On the use of OSL of wire-bond chip card modules for retrospective and accident dosimetry

Energy Technology Data Exchange (ETDEWEB)

Woda, Clemens [Helmholtz Zentrum Muenchen - German Research Centre for Environmental Health, Institute of Radiation Protection, Ingolstaedter Landstrasse 1, D-85764 Neuherberg (Germany)], E-mail: clemens.woda@helmholtz-muenchen.de; Spoettl, Thomas [Infineon Technologies AG, Wernerwerkstrasse 1, D-93049 Regensburg (Germany)

2009-05-15

The potential of optically stimulated luminescence of wire-bond chip card modules, used in health insurance, ID, cash and credit cards for retrospective and accident dosimetry is investigated. Chip card modules obtained directly from the producer, using a widely spread UV-cured epoxy product for encapsulation, are used as basis for the study. The radiation sensitivity is due to silica grains added to the epoxy for controlling the thixotropic properties. Luminescence properties are complex due to the presumed thermo-optical release of electrons from the epoxy and transfer into the silica. Best results and highest sensitivity are obtained by using no or only low preheat treatments. A high degree of fading of the OSL signal during storage at room temperature is observed, which is tentatively explained by the superposition of thermal decay of shallow OSL traps and athermal (anomalous) decay of deeper OSL traps. The dose response of the OSL signal shows exponentially saturating behaviour, with saturation doses of 77 Gy or 9.6 Gy, depending on pretreatment. Dose recovery tests show that given doses can be recovered within a deviation of {+-}14%, if measured signals are corrected for fading. The minimum detectable dose is estimated at {approx}3 mGy, {approx}10 mGy and {approx}20 mGy for readouts immediately, 1 day and 10 days after exposure, respectively.

On the use of OSL of wire-bond chip card modules for retrospective and accident dosimetry

International Nuclear Information System (INIS)

Woda, Clemens; Spoettl, Thomas

2009-01-01

The potential of optically stimulated luminescence of wire-bond chip card modules, used in health insurance, ID, cash and credit cards for retrospective and accident dosimetry is investigated. Chip card modules obtained directly from the producer, using a widely spread UV-cured epoxy product for encapsulation, are used as basis for the study. The radiation sensitivity is due to silica grains added to the epoxy for controlling the thixotropic properties. Luminescence properties are complex due to the presumed thermo-optical release of electrons from the epoxy and transfer into the silica. Best results and highest sensitivity are obtained by using no or only low preheat treatments. A high degree of fading of the OSL signal during storage at room temperature is observed, which is tentatively explained by the superposition of thermal decay of shallow OSL traps and athermal (anomalous) decay of deeper OSL traps. The dose response of the OSL signal shows exponentially saturating behaviour, with saturation doses of 77 Gy or 9.6 Gy, depending on pretreatment. Dose recovery tests show that given doses can be recovered within a deviation of ±14%, if measured signals are corrected for fading. The minimum detectable dose is estimated at ∼3 mGy, ∼10 mGy and ∼20 mGy for readouts immediately, 1 day and 10 days after exposure, respectively.

Equilibrium structure and atomic vibrations of Nin clusters

Science.gov (United States)

Borisova, Svetlana D.; Rusina, Galina G.

2017-12-01

The equilibrium bond lengths and binding energy, second differences in energy and vibrational frequencies of free clusters Nin (2 ≤ n ≤ 20) were calculated with the use of the interaction potential obtained in the tight-binding approximation (TBA). The results show that the minimum vibration frequency plays a significant role in the evaluation of the dynamic stability of the clusters. A nonmonotonic dependence of the minimum vibration frequency of clusters on their size and the extreme values for the number of atoms in a cluster n = 4, 6, 13, and 19 are demonstrated. This result agrees with the theoretical and experimental data on stable structures of small metallic clusters.

Recrystallization texture in nickel heavily deformed by accumulative roll bonding

DEFF Research Database (Denmark)

Mishin, O. V.; Zhang, Y. B.; Godfrey, A.

2017-01-01

particle deformation zones around fragments of the steel wire brush used to prepare the surface for bonding. Sample-scale gradients are also observed, manifested as differences between the subsurface, intermediate and central layers, where the distributions of texture components are different...

A Predictive Velocity Observer in Wire Bonder’s Control System

Directory of Open Access Journals (Sweden)

Lei Zhou

2014-01-01

Full Text Available Wire bonder is a typical high speed machine. The motion speed of XY-stage is the key factor of bonding efficiency. However, phase lag elements in the servo system limit the bandwidth and slow down the system’s response. A predictive velocity observer is proposed to compensate for those phase lags. Then, the velocity loop controller can be designed as for a servo system which does not have those phase lags. Loop gains are enlarged and bandwidth is enlarged correspondingly. Then, the motion speed is improved and settling time is decreased. Experiment results verify that the predictive velocity observer provided a significant phase lead and the performance of wire bonder is improved.

Vibrational lifetimes of protein amide modes

International Nuclear Information System (INIS)

Peterson, K.A.; Rella, C.A.

1995-01-01

Measurement of the lifetimes of vibrational modes in proteins has been achieved with a single frequency infrared pump-probe technique using the Stanford Picosecond Free-electron Laser, These are the first direct measurements of vibrational dynamics in the polyamide structure of proteins. In this study, modes associated with the protein backbone are investigated. Results for the amide I band, which consists mainly of the stretching motion of the carbonyl unit of the amide linkage, show that relaxation from the first vibrational excited level (v=1) to the vibrational ground state (v=0) occurs within 1.5 picoseconds with apparent first order kinetics. Comparison of lifetimes for myoglobin and azurin, which have differing secondary structures, show a small but significant difference. The lifetime for the amide I band of myoglobin is 300 femtoseconds shorter than for azurin. Further measurements are in progress on other backbone vibrational modes and on the temperature dependence of the lifetimes. Comparison of vibrational dynamics for proteins with differing secondary structure and for different vibrational modes within a protein will lead to a greater understanding of energy transfer and dissipation in biological systems. In addition, these results have relevance to tissue ablation studies which have been conducted with pulsed infrared lasers. Vibrational lifetimes are necessary for calculating the rate at which the energy from absorbed infrared photons is converted to equilibrium thermal energy within the irradiated volume. The very fast vibrational lifetimes measured here indicate that mechanisms which involve direct vibrational up-pumping of the amide modes with consecutive laser pulses, leading to bond breakage or weakening, are not valid

Multifilamentary MgB2 wires fracture behavior during the drawing process

International Nuclear Information System (INIS)

Shan, D.; Yan, G.; Zhou, L.; Li, J.S.; Li, C.S.; Wang, Q.Y.; Xiong, X.M.; Jiao, G.F.

2012-01-01

The fracture behavior of 6 + 1 filamentary MgB 2 superconductive wires is presented here. The composite wires were fabricated by in situ Powder-in-Tube method using Nb as a barrier and copper as a stabilizer. The microstructure of the material has a great influence on its fracture behavior. The microstructural aspects of crack nucleation and propagation are discussed. It shows that there are complicated correlations between fracture behavior and the main influencing parameters, which contain specific drawing conditions (drawing velocity, reduction in area per pass), materials properties (strength, yield stress, microstructure) as well as the extent of bonding between the metal sheaths at their interface.

Molecular Structure And Vibrational Frequencies of 2,3,4 Nitro anilines By Hartree-Fock And Density Functional Theory Calculations

International Nuclear Information System (INIS)

Sert, Y.

2008-01-01

The optimised molecular structure, vibrational frequencies and corresponding vibrational assignments of 2-, 3- and 4- nitro anilines have been calculated using the Hartree-Fock (HF) and density functional methods (B3LYP) with 6-311++G (d, p) basis set. The calculations were adapted to the C S symmetries of all the molecules. The calculated vibrational frequencies and geometric parameters (bond lengths and bond angles) were seen to be in good agreement with the experimental data. The comparison of the experimental and theoretical results showed that the HF method is superior to the B3LYP method for both the vibrational frequencies and geometric parameters

Vibrational spectroscopic investigation of p-, m- and o-nitrobenzonitrile by using Hartree-Fock and density functional theory

Science.gov (United States)

Sert, Y.; Ucun, F.

2013-08-01

In the present work, the theoretical vibrational spectra of p-, m- and o-nitrobenzonitrile molecules have been analyzed. The harmonic vibrational frequencies and geometric parameters (bond lengths and bond angles) of these molecules have been calculated using ab initio Hartree-Fock and density functional theory methods with 6-311++G(d,p) basis set by Gaussian 03 W, for the first time. Assignments of the vibrational frequencies have been performed by potential energy distribution by using VEDA 4 program. The optimized geometric parameters and harmonic vibrational frequencies have been compared with the corresponding experimental data and seen to be in a good agreement with each other. Also, the highest occupied molecular orbital and lowest unoccupied molecular orbital energies have been obtained.

Synthesis of one-dimensional metal-containing insulated molecular wire with versatile properties directed toward molecular electronics materials.

Science.gov (United States)

Masai, Hiroshi; Terao, Jun; Seki, Shu; Nakashima, Shigeto; Kiguchi, Manabu; Okoshi, Kento; Fujihara, Tetsuaki; Tsuji, Yasushi

2014-02-05

We report, herein, the design, synthesis, and properties of new materials directed toward molecular electronics. A transition metal-containing insulated molecular wire was synthesized through the coordination polymerization of a Ru(II) porphyrin with an insulated bridging ligand of well-defined structure. The wire displayed not only high linearity and rigidity, but also high intramolecular charge mobility. Owing to the unique properties of the coordination bond, the interconversion between the monomer and polymer states was realized under a carbon monoxide atmosphere or UV irradiation. The results demonstrated a high potential of the metal-containing insulated molecular wire for applications in molecular electronics.

wire chamber

CERN Multimedia

Proportional multi-wire chamber. Multi-wire detectors contain layers of positively and negatively charged wires enclosed in a chamber full of gas. A charged particle passing through the chamber knocks negatively charged electrons out of atoms in the gas, leaving behind positive ions. The electrons are pulled towards the positively charged wires. They collide with other atoms on the way, producing an avalanche of electrons and ions. The movement of these electrons and ions induces an electric pulse in the wires which is collected by fast electronics. The size of the pulse is proportional to the energy loss of the original particle. Proportional wire chambers allow a much quicker reading than the optical or magnetoscriptive readout wire chambers.

Anharmonic vibrational spectroscopic investigation of malonaldehyde

International Nuclear Information System (INIS)

Alparone, A.; Millefiori, S.

2003-01-01

Anharmonic IR spectra of H-bonded and non-H-bonded conformers of malonaldehyde (MA) and its isotopomers MA-D 6 D 8 and MA-D 7 D 9 have been computed by the Vibrational-Self-Consistent-Field (VSCF) and the correlation-corrected-VSCF (CC-VSCF) techniques using ab initio MP2/6-31G*(+p) potential energies. The agreement between the experimental and calculated frequencies is significantly improved to within 2-3%. Anharmonic contributions are substantial especially for νOH of the H-bonded form, by reducing the harmonic value by more than 500 cm -1 . The effect is less important in the non-H-bonded form. The νOH stretching mode is strongly coupled with the ν 3 mode (essentially νCH 7 ) and with the in-plane and out-of-plane OH bending deformations. H-bond formation and deuteration batochromically shift νOH by an amount which is influenced by the anharmonic terms, the major contribution arising from coupling between modes. The comparison with the νOH mode of some other H-bonded systems suggests that anharmonic correction follows H-bonding strength

Wire breakage in SLC wire profile monitors

International Nuclear Information System (INIS)

Field, C.; McCormick, D.; Raimondi, P.; Ross, M.

1998-05-01

Wire scanning beam profile monitors are used at the Stanford Linear Collider (SLC) for emittance preservation control and beam optics optimization. Twenty such scanners have proven most useful for this purpose and have performed a total of 1.5 million scans in the 4 to 6 years since their installation. Most of the essential scanners are equipped with 20 to 40 microm tungsten wires. SLC bunch intensities and sizes often exceed 2 x 10 7 particles/microm 2 (3C/m 2 ). The authors believe that this has caused a number of tungsten wire failures that appear at the ends of the wire, near the wire support points, after a few hundred scans are accumulated. Carbon fibers, also widely used at SLAC, have been substituted in several scanners and have performed well. In this paper, the authors present theories for the wire failure mechanism and techniques learned in reducing the failures

Raman study of self-assembled InAs/InP quantum wire stacks with varying spacer thickness

Science.gov (United States)

Angelova, T.; Cros, A.; Cantarero, A.; Fuster, D.; González, Y.; González, L.

2008-08-01

Self-assembled InAs/InP (001) quantum wire stacks have been investigated by means of Raman scattering. The characteristics of the observed vibrational modes show clear evidence of confinement and atomic intermixing between As and P atoms from the wire and the spacer. The change in the intermixing with spacer layer thickness and growth temperature is investigated. Likewise, the effect of annealing on the exchange of As and P atoms is also studied. Resonance effects in confined and interface phonons are discussed for excitation in the vicinity of the InAs E1 critical point. Finally, the energy of the interface modes is related to the structural characteristics of the wires by comparing the experimental data with a lattice dynamic calculation based on the dielectric continuum model.

Toward accurate prediction of potential energy surfaces and the spectral density of hydrogen bonded systems

International Nuclear Information System (INIS)

Rekik, Najeh

2014-01-01

Despite the considerable progress made in quantum theory and computational methods, detailed descriptions of the potential energy surfaces of hydrogen-bonded systems have not yet been achieved. In addition, the hydrogen bond (H-bond) itself is still so poorly understood at the fundamental level that it remains unclear exactly what geometry constitutes a “real” H-bond. Therefore, in order to investigate features essential for hydrogen bonded complexes, a simple, efficient, and general method for calculating matrix elements of vibrational operators capable of describing the stretching modes and the H-bond bridges of hydrogen-bonded systems is proposed. The derived matrix elements are simple and computationally easy to evaluate, which makes the method suitable for vibrational studies of multiple-well potentials. The method is illustrated by obtaining potential energy surfaces for a number of two-dimensional systems with repulsive potentials chosen to be in Gaussian form for the stretching mode and of the Morse-type for the H-bond bridge dynamics. The forms of potential energy surfaces of weak and strong hydrogen bonds are analyzed by varying the asymmetry of the Gaussian potential. Moreover, the choice and applicability of the selected potential for the stretching mode and comparison with other potentials used in the area of hydrogen bond research are discussed. The approach for the determination of spectral density has been constructed in the framework of the linear response theory for which spectral density is obtained by Fourier transform of the autocorrelation function of the dipole moment operator of the fast mode. The approach involves anharmonic coupling between the high frequency stretching vibration (double well potential) and low-frequency donor-acceptor stretching mode (Morse potential) as well as the electrical anharmonicity of the dipole moment operator of the fast mode. A direct relaxation mechanism is incorporated through a time decaying exponential

Structural determination of some uranyl compounds by vibrational spectroscopy

International Nuclear Information System (INIS)

Rodriguez S, A.; Martinez Q, E.

1990-07-01

The vibrational spectra of different uranyl compounds has been studied and of it spectral information has been used the fundamental asymmetric vibrational frequency, to determine the length and constant bond force U=O by means of the combination of the concept of absorbed energy and the mathematical expression of Badger modified by Jones. It is intended a factor that simplifies the mathematical treatment and the results are compared with the values obtained for other methods. (Author)

Three-Dimensional Vibration Isolator for Suppressing High-Frequency Responses for Sage III Contamination Monitoring Package (CMP)

Science.gov (United States)

Li, Y.; Cutright, S.; Dyke, R.; Templeton, J.; Gasbarre, J.; Novak, F.

2015-01-01

The Stratospheric Aerosol and Gas Experiment (SAGE) III - International Space Station (ISS) instrument will be used to study ozone, providing global, long-term measurements of key components of the Earth's atmosphere for the continued health of Earth and its inhabitants. SAGE III is launched into orbit in an inverted configuration on SpaceX;s Falcon 9 launch vehicle. As one of its four supporting elements, a Contamination Monitoring Package (CMP) mounted to the top panel of the Interface Adapter Module (IAM) box experiences high-frequency response due to structural coupling between the two structures during the SpaceX launch. These vibrations, which were initially observed in the IAM Engineering Development Unit (EDU) test and later verified through finite element analysis (FEA) for the SpaceX launch loads, may damage the internal electronic cards and the Thermoelectric Quartz Crystal Microbalance (TQCM) sensors mounted on the CMP. Three-dimensional (3D) vibration isolators were required to be inserted between the CMP and IAM interface in order to attenuate the high frequency vibrations without resulting in any major changes to the existing system. Wire rope isolators were proposed as the isolation system between the CMP and IAM due to the low impact to design. Most 3D isolation systems are designed for compression and roll, therefore little dynamic data was available for using wire rope isolators in an inverted or tension configuration. From the isolator FEA and test results, it is shown that by using the 3D wire rope isolators, the CMP high-frequency responses have been suppressed by several orders of magnitude over a wide excitation frequency range. Consequently, the TQCM sensor responses are well below their qualification environments. It is indicated that these high-frequency responses due to the typical instrument structural coupling can be significantly suppressed by a vibration passive control using the 3D vibration isolator. Thermal and contamination

Evans hole and non linear optical activity in Bis(melaminium) sulphate dihydrate: A vibrational spectral study.

Science.gov (United States)

Suresh Kumar, V R; Binoy, J; Dawn Dharma Roy, S; Marchewka, M K; Jayakumar, V S

2015-01-01

Bis(melaminium) sulphate dihydrate (BMSD), an interesting melaminium derivative for nonlinear optical activity, has been subjected to vibrational spectral analysis using FT IR and FT Raman spectra. The analysis has been aided by the Potential Energy Distribution (PED) of vibrational spectral bands, derived using density functional theory (DFT) at B3LYP/6-31G(d) level. The geometry is found to correlate well with the XRD structure and the band profiles for certain vibrations in the finger print region have been theoretically explained using Evans hole. The detailed Natural Bond Orbital (NBO) analysis of the hydrogen bonding in BMSD has also been carried out to understand the correlation between the stabilization energy of hyperconjugation of the lone pair of donor with the σ(∗) orbital of hydrogen-acceptor bond and the strength of hydrogen bond. The theoretical calculation shows that BMSD has NLO efficiency, 2.66 times that of urea. The frontier molecular orbital analysis points to a charge transfer, which contributes to NLO activity, through N-H…O intermolecular hydrogen bonding between the melaminium ring and the sulphate. The molecular electrostatic potential (MEP) mapping has also been performed for the detailed analysis of the mutual interactions between melaminium ring and sulphate ion. Copyright © 2015 Elsevier B.V. All rights reserved.

On the improved adhesion of NiTi wires embedded in polyester and vinylester resins

Directory of Open Access Journals (Sweden)

Mattia Merlin

2015-01-01

Full Text Available This paper discusses the effect of different surface treatments on shape memory alloy wires embedded in PolyEster (PE and VinylEster (VE polymeric matrices. In particular, two types of chemical etching and a chemical bonding with a silane coupling agent have been performed on the surfaces of the wires. Pull-out tests have been carried out on samples made from a specifically designed Teflon mould. Considering the best results of the pull-out tests obtained with PE resin, the debonding induced by strain recovery of 4%, 5% and 6% pre-strained NiTi wires has been evaluated with the wires being subjected to different surface treatment conditions and then being embedded in the PE matrix. The results prove that the wires functionalised and embedded in the PE resin show the maximum pull-out forces and the highest interfacial adhesion. Finally, it has been found that debonding induced by strain recovery is strongly related to the propagation towards the radial direction of sharp cracks at the debonding region.

XRD, vibrational spectra and quantum chemical studies of an anticancer drug: 6-Mercaptopurine.

Science.gov (United States)

Kumar, S Suresh; Athimoolam, S; Sridhar, B

2015-07-05

The single crystal of the hydrated anticancer drug, 6-Mercaptopurine (6-MP), has been grown by slow evaporation technique under room temperature. The structure was determined by single crystal X-ray diffraction. The vibrational spectral analysis was carried out using Laser Raman and FT-IR spectroscopy in the range of 3300-100 and 4000-400 cm(-1). The single crystal X-ray studies shows that the crystal packing is dominated by N-H⋯O and O-H⋯N classical hydrogen bonds leading to a hydrogen bonded ensemble. This classical hydrogen bonds were further connected through O-H⋯S hydrogen bond to form two primary ring R4(4)(16) and R4(4)(12) motifs. These two primary ring motifs are interlinked with each other to build a ladder like structure. These ladders are connected through N-H⋯N hydrogen bond along c-axis of the unit cell through chain C(5) motifs. Further, the strength of the hydrogen bonds is studied through vibrational spectral measurements. The shifting of bands due to the intermolecular interactions was also analyzed in the solid crystalline state. Geometrical optimizations of the drug molecule were done by Density Functional Theory (DFT) using the B3LYP function and Hartree-Fock (HF) level with 6-311++G(d,p) basis set. The optimized molecular geometry and computed vibrational spectra are compared with experimental results which show significant agreement. The natural bond orbital (NBO) analysis was carried out to interpret hyperconjugative interaction and intramolecular charge transfer (ICT). The chemical hardness, electro-negativity and chemical potential of the molecule are carried out by HOMO-LUMO plot. In which, the frontier orbitals has lower band gap value indicating the possible pharmaceutical activity of the molecule. Copyright © 2015 Elsevier B.V. All rights reserved.

Molecular structure and vibrational spectra of 6-methylquinoline and 8-methylquinoline molecules by quantum mechanical methods

International Nuclear Information System (INIS)

Kurt, M.

2005-01-01

The molecular geometry and vibrational frequencies of 6-methylquinoline(6MQ) and 8-methylquinolines(8MQ) in the ground state have been calculated by using the Hartree-Fock and density functional methods (B3LYP and BLYP) with 6-31G (d) as the basis set. The optimized geometric bond lengths obtained by using B3LYP and bond angles obtained by BLYP were given corresponding experimental values of similar molecule. Comparison of the observed fundamental vibrational frequencies of these molecules and calculated results by density functional B3LYP, BLYP and Hartree-Fock methods indicates that B3LYP is superior to the scaled Hartree- Fock and BLYP approach for molecular vibrational problems

Si-H bond dynamics in hydrogenated amorphous silicon

Science.gov (United States)

Scharff, R. Jason; McGrane, Shawn D.

2007-08-01

The ultrafast structural dynamics of the Si-H bond in the rigid solvent environment of an amorphous silicon thin film is investigated using two-dimensional infrared four-wave mixing techniques. The two-dimensional infrared (2DIR) vibrational correlation spectrum resolves the homogeneous line shapes ( 4ps waiting times. The Si-H stretching mode anharmonic shift is determined to be 84cm-1 and decreases slightly with vibrational frequency. The 1→2 linewidth increases with vibrational frequency. Frequency dependent vibrational population times measured by transient grating spectroscopy are also reported. The narrow homogeneous line shape, large inhomogeneous broadening, and lack of spectral diffusion reported here present the ideal backdrop for using a 2DIR probe following electronic pumping to measure the transient structural dynamics implicated in the Staebler-Wronski degradation [Appl. Phys. Lett. 31, 292 (1977)] in a-Si:H based solar cells.

Influence of Cable Vibrations on Connectors Used in Automotive Applications

Directory of Open Access Journals (Sweden)

AMEL Bouzera

2012-10-01

Full Text Available In order to determine the influence of cable vibrations on the contact resistance of connectors, the cable resonant frequency and the resulting movement of both parts of the connector have been studied. The increase of contact voltage, followed by rapidfluctuations generated by wear particles, has been analysed. A test bench designed to monitor wire vibrations was used while the transferred amplitude was measured by a high sensitivity displacement sensor. The contact interface was made of copper alloy and tin coated. The connector was connected to a resistive power supplytransmitting different currents and voltage values. Two investigations were performed on the contact voltage measured with a fast sampling oscilloscope which enabled histograms and a Fast FourierTransform analysis to be obtained. The appearance of contact fluctuations observed during the fretting generated by cable vibrations, and depending upon the wear effect, is attributed toelectromechanical phenomena. Some slow fluctuations are well correlated to the vibration period while the rapid ones are linked to an electrical conduction perturbation in the granular interface caused by the connector movement.

A practical monitoring system for the structural safety of mega-trusses using wireless vibrating wire strain gauges.

Science.gov (United States)

Park, Hyo Seon; Lee, Hwan Young; Choi, Se Woon; Kim, Yousok

2013-12-16

Sensor technologies have been actively employed in structural health monitoring (SHM) to evaluate structural safety. To provide stable and real-time monitoring, a practical wireless sensor network system (WSNS) based on vibrating wire strain gauges (VWSGs) is proposed and applied to a building under construction. In this WSNS, the data measured from each VWSG are transmitted to the sensor node via a signal line and then transmitted to the master node through a short-range wireless communication module (operating on the Industrial, Scientific, and Medical (ISM) band). The master node also employs a long-range wireless communication module (Code Division Multiple Access-CDMA) to transmit the received data from the sensor node to a server located in a remote area, which enables a manager to examine the measured data in real time without any time or location restrictions. In this study, a total of 48 VWSGs, 14 sensor nodes, and seven master nodes were implemented to measure long-term strain variations of mega-trusses in an irregular large-scale building under construction. Based on strain data collected over a 16-month period, a quantitative evaluation of the construction process was performed to determine the aspects that exhibit the greatest influence on member behavior and to conduct a comparison with numerical simulation results. The effect of temperature stress on the structural elements was also analyzed. From these observations, the feasibility of a long-term WSNS based on VWSGs to evaluate the structural safety of an irregular building under construction was confirmed.

A Practical Monitoring System for the Structural Safety of Mega-Trusses Using Wireless Vibrating Wire Strain Gauges

Directory of Open Access Journals (Sweden)

Hyo Seon Park

2013-12-01

Full Text Available Sensor technologies have been actively employed in structural health monitoring (SHM to evaluate structural safety. To provide stable and real-time monitoring, a practical wireless sensor network system (WSNS based on vibrating wire strain gauges (VWSGs is proposed and applied to a building under construction. In this WSNS, the data measured from each VWSG are transmitted to the sensor node via a signal line and then transmitted to the master node through a short-range wireless communication module (operating on the Industrial, Scientific, and Medical (ISM band. The master node also employs a long-range wireless communication module (Code Division Multiple Access—CDMA to transmit the received data from the sensor node to a server located in a remote area, which enables a manager to examine the measured data in real time without any time or location restrictions. In this study, a total of 48 VWSGs, 14 sensor nodes, and seven master nodes were implemented to measure long-term strain variations of mega-trusses in an irregular large-scale building under construction. Based on strain data collected over a 16-month period, a quantitative evaluation of the construction process was performed to determine the aspects that exhibit the greatest influence on member behavior and to conduct a comparison with numerical simulation results. The effect of temperature stress on the structural elements was also analyzed. From these observations, the feasibility of a long-term WSNS based on VWSGs to evaluate the structural safety of an irregular building under construction was confirmed.

Fluid induced structural vibrations in steam generators and heat exchangers

International Nuclear Information System (INIS)

Catton, I.; Adinolfi, P.; Alquaddoomi, O.

2003-01-01

Fluid-elastic instability (FEI) in tube bundle heat exchangers was studied experimentally. The motion of an array of 15 stainless steel vibrating tubes (Φ 25.4mm) in water cross-flow, suspended using stainless steel piano wire has been recorded with a CCD camera. The individual motion and relative motion of the tubes are reported and can be used for computational model validation. The relative displacement of the tubes allows identification of the most potentially damaging patterns of tube bundle vibration. A critical reduced velocity may be determined by specification of an allowable limit on tube motion amplitude. Measurements were made for various tube array configurations, tube natural frequencies and flow conditions. (author)

Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, thermodynamic analysis and normal coordinate analysis of Salicylaldehyde p-methylphenylthiosemicarbazone by density functional method

Science.gov (United States)

Porchelvi, E. Elamurugu; Muthu, S.

2015-01-01

The thiosemicarbazone compound, Salicylaldehyde p-methylphenylthiosemicarbazone (abbreviated as SMPTSC) was synthesized and characterized by FTIR, FT-Raman and UV. Density functional (DFT) calculations have been carried out for the title compound by performing DFT level of theory using B3LYP/6-31++G(d,p) basis set. The molecular geometry and vibrational frequencies were calculated and compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology. The electronic dipole moment (μD) and the first hyperpolarizability (βtot) values of the investigated molecule were computed using density functional theory (DFT/B3LYP) with 6-311++G(d,p) basis set. The stability and charge delocalization of the molecule was studied by natural bond orbital (NBO) analysis. Thearomaticities of the phenyl rings were studied using the standard harmonic oscillator model of aromaticity (HOMA) index. Mulliken population analysis on atomic charges is also calculated. The molecule orbital contributions are studied by density of energy states (DOSs).

Maxillary molar derotation and distalization by using a nickel-titanium wire fabricated on a setup model.

Science.gov (United States)

Jung, Jong Moon; Wi, Young Joo; Koo, Hyun Mo; Kim, Min Ji; Chun, Youn Sic

2017-07-01

The purpose of this article is to introduce a simple appliance that uses a setup model and a nickel-titanium (Ni-Ti) wire for correcting the mesial rotation and drift of the permanent maxillary first molar. The technique involves bonding a Ni-Ti wire to the proper position of the target tooth on a setup model, followed by the fabrication of the transfer cap for indirect bonding and its transfer to the patient's teeth. This appliance causes less discomfort and provides better oral hygiene for the patients than do conventional appliances such as the bracket, pendulum, and distal jet. The treatment time is also shorter with the new appliance than with full-fixed appliances. Moreover, the applicability of the new appliance can be expanded to many cases by using screws or splinting with adjacent teeth to improve anchorage.

SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Faber, Rasmus; Sauer, Stephan P. A. [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)

2015-12-31

We present zero-point vibrational corrections to the indirect nuclear spin-spin coupling constants in ethyne, ethene, cyclopropene and allene. The calculations have been carried out both at the level of the second order polarization propagator approximation (SOPPA) employing a new implementation in the DALTON program, at the density functional theory level with the B3LYP functional employing also the Dalton program and at the level of coupled cluster singles and doubles (CCSD) theory employing the implementation in the CFOUR program. Specialized coupling constant basis sets, aug-cc-pVTZ-J, have been employed in the calculations. We find that on average the SOPPA results for both the equilibrium geometry values and the zero-point vibrational corrections are in better agreement with the CCSD results than the corresponding B3LYP results. Furthermore we observed that the vibrational corrections are in the order of 5 Hz for the one-bond carbon-hydrogen couplings and about 1 Hz or smaller for the other couplings apart from the one-bond carbon-carbon coupling (11 Hz) and the two-bond carbon-hydrogen coupling (4 Hz) in ethyne. However, not for all couplings lead the inclusion of zero-point vibrational corrections to better agreement with experiment.

Vibrational spectroscopic and non-linear optical activity studies on nicotinanilide : A DFT approach

Science.gov (United States)

Premkumar, S.; Jawahar, A.; Mathavan, T.; Dhas, M. Kumara; Benial, A. Milton Franklin

2015-06-01

The molecular structure of nicotinanilide was optimized by the DFT/B3LYP method with cc-pVTZ basis set using Gaussian 09 program. The first order hyperpolarizability of the molecule was calculated, which exhibits the higher nonlinear optical activity. The natural bond orbital analysis confirms the presence of intramolecular charge transfer and the hydrogen bonding interaction, which leads to the higher nonlinear optical activity of the molecule. The Frontier molecular orbitals analysis of the molecule shows that the delocalization of electron density occurs within the molecule. The lower energy gap indicates that the hydrogen bond formation between the charged species. The vibrational frequencies were calculated and assigned on the basis of potential energy distribution calculation using the VEDA 4.0 program and the corresponding vibrational spectra were simulated. Hence, the nicotinanilide molecule can be a good candidate for second-order NLO material.

NaAuS chicken-wire-like semiconductor: Electronic structure and optical properties

International Nuclear Information System (INIS)

Reshak, A.H.; Khan, Saleem Ayaz; Kamarudin, H.; Bila, Jiri

2014-01-01

Highlights: • Chicken wire like semiconductor NaAuS was investigated. • Good agreement with experimental data was found. • Electronic charge density of chicken wire like semiconductor NaAuS was obtained. • The calculated uniaxial anisotropy is −0.0005, indicating the strong anisotropy. -- Abstract: The electronic structure, charge density and optical properties of NaAuS a chicken-wire-like semiconductor was calculated using full potential linear augmented plane wave based on density functional theory. The Ceperley-Alder local density approximation, Perdew Becke Ernzerhof Generalized gradient approximation and Engel Voskov Generalized Gradient Approximation were applied to solve the exchange correlation potential. The investigation of band structures and density of states elucidates that Engle Vasko Generalized Gradient Approximation shows close agreement to the experimental data. The calculated valence charge density shows pure ionic nature of Au–Au bond. It becomes partially covalent when Au is connected with two Na atoms. The linear optical susceptibilities of chicken-wire-like NaAuS semiconductor are calculated so as to obtain further insight into the electronic properties. The uniaxial anisotropy is −0.0005, indicating the strong anisotropy of the dielectric function in the NaAuS a chicken-wire-like semiconductor

NaAuS chicken-wire-like semiconductor: Electronic structure and optical properties

Energy Technology Data Exchange (ETDEWEB)

Reshak, A.H. [Institute of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Khan, Saleem Ayaz, E-mail: sayaz_usb@yahoo.com [Institute of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Kamarudin, H. [Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Bila, Jiri [Department of Instrumentation and Control Engineering, Faculty of Mechanical Engineering, CTU in Prague, Technicka 4, 166 07 Prague 6 (Czech Republic)

2014-01-05

Highlights: • Chicken wire like semiconductor NaAuS was investigated. • Good agreement with experimental data was found. • Electronic charge density of chicken wire like semiconductor NaAuS was obtained. • The calculated uniaxial anisotropy is −0.0005, indicating the strong anisotropy. -- Abstract: The electronic structure, charge density and optical properties of NaAuS a chicken-wire-like semiconductor was calculated using full potential linear augmented plane wave based on density functional theory. The Ceperley-Alder local density approximation, Perdew Becke Ernzerhof Generalized gradient approximation and Engel Voskov Generalized Gradient Approximation were applied to solve the exchange correlation potential. The investigation of band structures and density of states elucidates that Engle Vasko Generalized Gradient Approximation shows close agreement to the experimental data. The calculated valence charge density shows pure ionic nature of Au–Au bond. It becomes partially covalent when Au is connected with two Na atoms. The linear optical susceptibilities of chicken-wire-like NaAuS semiconductor are calculated so as to obtain further insight into the electronic properties. The uniaxial anisotropy is −0.0005, indicating the strong anisotropy of the dielectric function in the NaAuS a chicken-wire-like semiconductor.

UV resonance Raman finds peptide bond-Arg side chain electronic interactions.

Science.gov (United States)

Sharma, Bhavya; Asher, Sanford A

2011-05-12

We measured the UV resonance Raman excitation profiles and Raman depolarization ratios of the arginine (Arg) vibrations of the amino acid monomer as well as Arg in the 21-residue predominantly alanine peptide AAAAA(AAARA)(3)A (AP) between 194 and 218 nm. Excitation within the π → π* peptide bond electronic transitions result in UVRR spectra dominated by amide peptide bond vibrations. The Raman cross sections and excitation profiles indicate that the Arg side chain electronic transitions mix with the AP peptide bond electronic transitions. The Arg Raman bands in AP exhibit Raman excitation profiles similar to those of the amide bands in AP which are conformation specific. These Arg excitation profiles distinctly differ from the Arg monomer. The Raman depolarization ratios of Arg in monomeric solution are quite simple with ρ = 0.33 indicating enhancement by a single electronic transition. In contrast, we see very complex depolarization ratios of Arg in AP that indicate that the Arg residues are resonance enhanced by multiple electronic transitions.

Influence of intermolecular amide hydrogen bonding on the geometry, atomic charges, and spectral modes of acetanilide: An ab initio study

Science.gov (United States)

Binoy, J.; Prathima, N. B.; Murali Krishna, C.; Santhosh, C.; Hubert Joe, I.; Jayakumar, V. S.

2006-08-01

Acetanilide, a compound of pharmaceutical importance possessing pain-relieving properties due to its blocking the pulse dissipating along the nerve fiber, is subjected to vibrational spectral investigation using NIR FT Raman, FT-IR, and SERS. The geometry, Mulliken charges, and vibrational spectrum of acetanilide have been computed using the Hartree-Fock theory and density functional theory employing the 6-31G (d) basis set. To investigate the influence of intermolecular amide hydrogen bonding, the geometry, charge distribution, and vibrational spectrum of the acetanilide dimer have been computed at the HF/6-31G (d) level. The computed geometries reveal that the acetanilide molecule is planar, while twisting of the secondary amide group with respect to the phenyl ring is found upon hydrogen bonding. The trans isomerism and “amido” form of the secondary amide, hyperconjugation of the C=O group with the adjacent C-C bond, and donor-acceptor interaction have been investigated using computed geometry. The carbonyl stretching band position is found to be influenced by the tendency of the phenyl ring to withdraw nitrogen lone pair, intermolecular hydrogen bonding, conjugation, and hyperconjugation. A decrease in the NH and C=O bond orders and increase in the C-N bond orders due to donor-acceptor interaction can be observed in the vibrational spectra. The SERS spectral analysis reveals that the flat orientation of the molecule on the adsorption plane is preferred.

Experimental and computational study on molecular structure and vibrational analysis of an antihyperglycemic biomolecule: Gliclazide

Science.gov (United States)

Karakaya, Mustafa; Kürekçi, Mehmet; Eskiyurt, Buse; Sert, Yusuf; Çırak, Çağrı

2015-01-01

In present study, the experimental and theoretical harmonic vibrational frequencies of gliclazide molecule have been investigated. The experimental FT-IR (400-4000 cm-1) and Laser-Raman spectra (100-4000 cm-1) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) have been calculated using ab initio Hartree Fock (HF), density functional theory (B3LYP hybrid function) methods with 6-311++G(d,p) and 6-31G(d,p) basis sets by Gaussian 09W program. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. Theoretical optimized geometric parameters and vibrational frequencies have been compared with the corresponding experimental data, and they have been shown to be in a good agreement with each other. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies have been found.

Crystal structure and vibrational spectra of melaminium arsenate

Science.gov (United States)

Anbalagan, G.; Marchewka, M. K.; Pawlus, K.; Kanagathara, N.

2015-01-01

The crystals of the new melaminium arsenate (MAS) [C3H7N6+ṡH2AsO4-] were obtained by the slow evaporation of an aqueous solution at room temperature. Single crystal X-ray diffraction analysis reveals that the crystal belongs to triclinic system with centro symmetric space group P-1. The crystals are built up from single protonated melaminium residues and single dissociated arsenate H2AsO4- anions. The protonated melaminium ring is almost planar. A combination of ionic and donor-acceptor hydrogen-bond interactions linking together the melaminium and arsenate residues forms a three-dimensional network. Vibrational spectroscopic analysis is reported on the basis of FT-IR and FT-Raman spectra recorded at room temperature. Hydrogen bonded network present in the crystal gives notable vibrational effect. DSC has also been performed for the crystal shows no phase transition in the studied temperature range (113-293 K).

Unusual motions due to nonlinear effects in a driven vibrating string

Science.gov (United States)

Hanson, Roger J.

2005-09-01

Usual nonlinear effects observed in a sinusoidally driven vibrating string include generation of motion perpendicular to the driving plane, sudden jumps of amplitude and associated hysteresis, and generation of higher harmonics. In addition, under some conditions, there can be a rich variety of unusual, very complex motions of a point on the string, the pattern of which, together with associated harmonic (and sometimes subharmonic) content, can change dramatically with a slight change in driving frequency or sometimes with constant driving frequency and force. Intrinsic string asymmetries can also have a profound effect on the behavior. In a brass harpsichord string (wire) such asymmetries can cause a small splitting of each natural frequency of free vibration into two closely spaced frequencies (relative separation ~0.2% to 2%, strongly dependent on tension.) The two frequency components are associated, respectively, with the transverse motion along two orthogonal characteristic wire axes. Emphasis will be on display of optically detected unusual motion patterns of a point on the string, including an example of a pattern period of 10 s when driving at 50 Hz. See R. J. Hanson et al., J. Acoust. Soc. Am. 117, 400-412 (2005) for a more complete treatment.

Wire Chamber

CERN Multimedia

Magnetoscriptive readout wire chamber. Multi-wire detectors contain layers of positively and negatively charged wires enclosed in a chamber full of gas. A charged particle passing through the chamber knocks negatively charged electrons out of atoms in the gas, leaving behind positive ions. The electrons are pulled towards the positively charged wires. They collide with other atoms on the way, producing an avalanche of electrons and ions. The movement of these electrons and ions induces an electric pulse in the wires which is collected by fast electronics. The size of the pulse is proportional to the energy loss of the original particle.

Wire chamber

CERN Multimedia

1967-01-01

Magnetoscriptive readout wire chamber.Multi-wire detectors contain layers of positively and negatively charged wires enclosed in a chamber full of gas. A charged particle passing through the chamber knocks negatively charged electrons out of atoms in the gas, leaving behind positive ions. The electrons are pulled towards the positively charged wires. They collide with other atoms on the way, producing an avalanche of electrons and ions. The movement of these electrons and ions induces an electric pulse in the wires which is collected by fast electronics. The size of the pulse is proportional to the energy loss of the original particle.

Neutron vibrational spectroscopic studies of novel tire-derived carbon materials.

Science.gov (United States)

Li, Yunchao; Cheng, Yongqiang; Daemen, Luke L; Veith, Gabriel M; Levine, Alan M; Lee, Richard J; Mahurin, Shannon M; Dai, Sheng; Naskar, Amit K; Paranthaman, Mariappan Parans

2017-08-23

Sulfonated tire-derived carbons have been demonstrated to be high value-added carbon products of tire recycling in several energy storage system applications including lithium, sodium, potassium ion batteries and supercapacitors. In this communication, we compared different temperature pyrolyzed sulfonated tire-derived carbons with commercial graphite and unmodified/non-functionalized tire-derived carbon by studying the surface chemistry and properties, vibrational spectroscopy of the molecular structure, chemical bonding such as C-H bonding, and intermolecular interactions of the carbon materials. The nitrogen adsorption-desorption studies revealed the tailored micro and meso pore size distribution of the carbon during the sulfonation process. XPS and neutron vibrational spectra showed that the sulfonation of the initial raw tire powders could remove the aliphatic hydrogen containing groups ([double bond splayed left]CH 2 and -CH 3 groups) and reduce the number of heteroatoms that connect to carbon. The absence of these functional groups could effectively improve the first cycle efficiency of the material in rechargeable batteries. Meanwhile, the introduced -SO 3 H functional group helped in producing terminal H at the edge of the sp 2 bonded graphite-like layers. This study reveals the influence of the sulfonation process on the recovered hard carbon from used tires and provides a pathway to develop and improve advanced energy storage materials.

Vibrational spectra of four-coordinated random networks with periodic boundary conditions

International Nuclear Information System (INIS)

Guttman, L.

1976-01-01

Examples of perfectly four-coordinated networks satisfying periodic boundary conditions are constructed by a pseudo-random process, starting from a crystalline region. The unphysical features (high density, large deviations from the tetrahedral bond-angle) are removed by systematic modification of the bonding scheme. The vibrational spectra are calculated, using a valence-force potential, and the neutron scattering is computed by a phonon-expansion approximation

Vibrational transition moments of CH4 from first principles

Science.gov (United States)

Yurchenko, Sergei N.; Tennyson, Jonathan; Barber, Robert J.; Thiel, Walter

2013-09-01

New nine-dimensional (9D), ab initio electric dipole moment surfaces (DMSs) of methane in its ground electronic state are presented. The DMSs are computed using an explicitly correlated coupled cluster CCSD(T)-F12 method in conjunction with an F12-optimized correlation consistent basis set of the TZ-family. A symmetrized molecular bond representation is used to parameterise these 9D DMSs in terms of sixth-order polynomials. Vibrational transition moments as well as band intensities for a large number of IR-active vibrational bands of 12CH4 are computed by vibrationally averaging the ab initio dipole moment components. The vibrational wavefunctions required for these averages are computed variationally using the program TROVE and a new ‘spectroscopic’ 12CH4 potential energy surface. The new DMSs will be used to produce a hot line list for 12CH4.

Vibrational dynamics of aqueous hydroxide solutions probed using broadband 2DIR spectroscopy

International Nuclear Information System (INIS)

Mandal, Aritra; Tokmakoff, Andrei

2015-01-01

We employed ultrafast transient absorption and broadband 2DIR spectroscopy to study the vibrational dynamics of aqueous hydroxide solutions by exciting the O–H stretch vibrations of the strongly hydrogen-bonded hydroxide solvation shell water and probing the continuum absorption of the solvated ion between 1500 and 3800 cm −1 . We observe rapid vibrational relaxation processes on 150–250 fs time scales across the entire probed spectral region as well as slower vibrational dynamics on 1–2 ps time scales. Furthermore, the O–H stretch excitation loses its frequency memory in 180 fs, and vibrational energy exchange between bulk-like water vibrations and hydroxide-associated water vibrations occurs in ∼200 fs. The fast dynamics in this system originate in strong nonlinear coupling between intra- and intermolecular vibrations and are explained in terms of non-adiabatic vibrational relaxation. These measurements indicate that the vibrational dynamics of the aqueous hydroxide complex are faster than the time scales reported for long-range transport of protons in aqueous hydroxide solutions

Advances in molecular vibrations and collision dynamics molecular clusters

CERN Document Server

Bacic, Zatko

1998-01-01

This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics.The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, refle...

Experimental study on vertical static stiffnesses of polycal wire rope isolators

Science.gov (United States)

Balaji, P. S.; Moussa, Leblouba; Khandoker, Noman; Yuk Shyh, Ting; Rahman, M. E.; Hieng Ho, Lau

2017-07-01

Wire rope isolator is one of the most effective isolation system that can be used to attenuate the vibration disturbances and shocks during the operation of machineries. This paper presents the results of investigation on static elastic stiffnesses (both in tension and in compression) of Polycal Wire Rope Isolator (PWRI) under quasi-static monotonic loading conditions. It also studied effect of variations in height and width of PWRI on its static stiffnesses. Suitable experimental setup was designed and manufactured to meet the test conditions. The results show that their elastic stiffnesses for both tension and compression loading conditions are highly influenced by their geometric dimensions. It is found that their compressive stiffness reduced by 55% for an increment of 20% in their height to width ratio. Therefore, the stiffness of PWRI can be fine-tuned by controlling their dimensions according to the requirements of the application.

Active vibration control based on piezoelectric smart composite

International Nuclear Information System (INIS)

Gao, Le; Lu, Qingqing; Fei, Fan; Leng, Jinsong; Liu, Liwu; Liu, Yanju

2013-01-01

An aircraft’s vertical fin may experience dramatic buffet loads in high angle of attack flight conditions, and these buffet loads would cause huge vibration and dynamic stress on the vertical fin structure. To reduce the dynamic vibration of the vertical fin structure, macro fiber composite (MFC) actuators were used in this paper. The drive moment equations and sensing voltage equations of the MFC actuators were developed. Finite element analysis models based on three kinds of models of simplified vertical fin structures with surface-bonded MFC actuators were established in ABAQUS. The equivalent damping ratio of the structure was employed in finite element analysis, in order to measure the effectiveness of vibration control. Further, an open-loop test for the active vibration control system of the vertical fin with MFC actuators was designed and developed. The experimental results validated the effectiveness of the MFC actuators as well as the developed methodology. (paper)

Hydrogen bond dynamics in bulk alcohols

International Nuclear Information System (INIS)

Shinokita, Keisuke; Cunha, Ana V.; Jansen, Thomas L. C.; Pshenichnikov, Maxim S.

2015-01-01

Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamics–quantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquid—alcohols—has attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups

Hydrogen bond dynamics in bulk alcohols.

Science.gov (United States)

Shinokita, Keisuke; Cunha, Ana V; Jansen, Thomas L C; Pshenichnikov, Maxim S

2015-06-07

Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamics-quantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquid--alcohols--has attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups.

Size-dependent elastic moduli and vibrational properties of fivefold twinned copper nanowires

Science.gov (United States)

Zheng, Y. G.; Zhao, Y. T.; Ye, H. F.; Zhang, H. W.

2014-08-01

Based on atomistic simulations, the elastic moduli and vibration behaviors of fivefold twinned copper nanowires are investigated in this paper. Simulation results show that the elastic (i.e., Young’s and shear) moduli exhibit size dependence due to the surface effect. The effective Young’s modulus is found to decrease slightly whereas the effective shear modulus increases slightly with the increase in the wire radius. Both moduli tend to approach certain values at a larger radius and can be suitably described by core-shell composite structure models. Furthermore, we show by comparing simulation results and continuum predictions that, provided the effective Young’s and shear moduli are used, classic elastic theory can be applied to describe the small-amplitude vibration of fivefold twinned copper nanowires. Moreover, for the transverse vibration, the Timoshenko beam model is more suitable because shear deformation becomes apparent.

Size-dependent elastic moduli and vibrational properties of fivefold twinned copper nanowires

International Nuclear Information System (INIS)

Zheng, Y G; Zhao, Y T; Ye, H F; Zhang, H W

2014-01-01

Based on atomistic simulations, the elastic moduli and vibration behaviors of fivefold twinned copper nanowires are investigated in this paper. Simulation results show that the elastic (i.e., Young’s and shear) moduli exhibit size dependence due to the surface effect. The effective Young’s modulus is found to decrease slightly whereas the effective shear modulus increases slightly with the increase in the wire radius. Both moduli tend to approach certain values at a larger radius and can be suitably described by core-shell composite structure models. Furthermore, we show by comparing simulation results and continuum predictions that, provided the effective Young’s and shear moduli are used, classic elastic theory can be applied to describe the small-amplitude vibration of fivefold twinned copper nanowires. Moreover, for the transverse vibration, the Timoshenko beam model is more suitable because shear deformation becomes apparent. (paper)

Experimental investigation on low-frequency vibration assisted micro-WEDM of Inconel 718

Directory of Open Access Journals (Sweden)

Deepak Rajendra Unune

2017-02-01

Full Text Available The micro-wire electric discharge machining (micro-WEDM has emerged as the popular micromachining processes for fabrication of micro-features. However, the low machining rate and poor surface finish are restricting wide applications of this process. Therefore, in this study, an attempt was made to improve machining rate of micro-WEDM with low-frequency workpiece vibration assistance. The gap voltage, capacitance, feed rate and vibrational frequency were chosen as control factors, whereas, the material removal rate (MRR and kerf width were selected as performance measures while fabricating microchannels in Inconel 718. It was observed that in micro-WEDM, the capacitance is the most significant factor affecting both MRR and kerf width. It was witnessed that the low-frequency workpiece vibration improves the performance of micro-WEDM by improving the MRR due to enhanced flushing conditions and reduced electrode-workpiece adhesion.

Adhesive bonds for optics: analysis and trade-offs

Science.gov (United States)

Daly, John G.; Hawk, Matthew D.

2017-08-01

Fastening optical elements with adhesives presents challenges when dissimilar materials (almost always the case) are encountered and environmental exposures from temperature changes, shock and vibration must be met. A brief review of standard processes will be followed by a selection criteria for the optic, its substrate, the bond geometry, surface preparation, application and cure. Common analysis practices will be compared to Finite Element models. The impact of stress in terms of distortion and level of risk of bond failure is highlighted. Trade-offs will be presented as aids in determination of the best approach. Some areas addressed will be different adhesive types, matching CTE's, stress effects, athermal bonds, monolithic designs, and the use of flexures.

Theoretical investigation of molecular structure and vibrational spectra of 4,5-bis-(2-isopropyl-5- methylphenoxy) phthalonitrile molecule

International Nuclear Information System (INIS)

Avci, D.

2005-01-01

The molecular geometry and vibrational frequencies of 4,5-bis-(2-isopropyl-5- methylphenoxy) phthalonitrile in the ground state have been calculated using the Hartree- Fock (HF) and density functional method (B3LYP) with 6-31G(d) basis set. The optimized geometric bond lengths and bond angles obtained by using HF and DFT (B3LYP) show the best agreement with the experimental data. Comparison of the observed fundamental vibrational frequencies of 4,5-bis-(2-isopropyl-5-methylphenoxy) phthalonitrile with calculated results by density functional B3LYP and Hartree-Fock methods indicate that B3LYP is superior to the scaled Hartree-Fock approach for molecular vibrational problems

Large Amplitude Motions in Polyatomic Molecule Spectra: Intramolecular Vibrational Redistribution and Isomerization

National Research Council Canada - National Science Library

Field, Robert

1997-01-01

Through Stimulated Emission Pumping (SEP) studies of highly excited vibrational levels of the electronic ground state of HCP, the spectroscopic signatures of bond breaking isomer/atom (HCP right arrow HPC...

Durability Evaluation of a Thin Film Sensor System With Enhanced Lead Wire Attachments on SiC/SiC Ceramic Matrix Composites

Science.gov (United States)

Lei, Jih-Fen; Kiser, J. Douglas; Singh, Mrityunjay; Cuy, Mike; Blaha, Charles A.; Androjna, Drago

2000-01-01

An advanced thin film sensor system instrumented on silicon carbide (SiC) fiber reinforced SiC matrix ceramic matrix composites (SiC/SiC CMCs), was evaluated in a Mach 0.3 burner rig in order to determine its durability to monitor material/component surface temperature in harsh environments. The sensor system included thermocouples in a thin film form (5 microns thick), fine lead wires (75 microns diameter), and the bonds between these wires and the thin films. Other critical components of the overall system were the heavy, swaged lead wire cable (500 microns diameter) that contained the fine lead wires and was connected to the temperature readout, and ceramic attachments which were bonded onto the CMCs for the purpose of securing the lead wire cables, The newly developed ceramic attachment features a combination of hoops made of monolithic SiC or SiC/SiC CMC (which are joined to the test article) and high temperature ceramic cement. Two instrumented CMC panels were tested in a burner rig for a total of 40 cycles to 1150 C (2100 F). A cycle consisted of rapid heating to 1150 C (2100 F), a 5 minute hold at 1150 C (2100 F), and then cooling down to room temperature in 2 minutes. The thin film sensor systems provided repeatable temperature measurements for a maximum of 25 thermal cycles. Two of the monolithic SiC hoops debonded during the sensor fabrication process and two of the SiC/SiC CMC hoops failed during testing. The hoops filled with ceramic cement, however, showed no sign of detachment after 40 thermal cycle test. The primary failure mechanism of this sensor system was the loss of the fine lead wire-to-thin film connection, which either due to detachment of the fine lead wires from the thin film thermocouples or breakage of the fine wire.

Far-infrared vibrational modes of DNA components studied by terahertz time-domain spectroscopy

International Nuclear Information System (INIS)

Fischer, B M; Walther, M; Jepsen, P Uhd

2002-01-01

The far-infrared dielectric function of a wide range of organic molecules is dominated by vibrations involving a substantial fraction of the atoms forming the molecule and motion associated with intermolecular hydrogen bond vibrations. Due to their collective nature such modes are highly sensitive to the intra- and intermolecular structure and thus provide a unique fingerprint of the conformational state of the molecule and effects of its environment. We demonstrate the use of terahertz time-domain spectroscopy (THz-TDS) for recording the far-infrared (0.5-4.0 THz) dielectric function of the four nucleobases and corresponding nucleosides forming the building blocks of deoxyribose nucleic acid (DNA). We observe numerous distinct spectral features with large differences between the molecules in both frequency-dependent absorption coefficient and index of refraction. Assisted by results from density-functional calculations we interpret the origin of the observed resonances as vibrations of hydrogen bonds between the molecules

En-masse retraction with a preformed nickel-titanium and stainless steel archwire assembly and temporary skeletal anchorage devices without posterior bonding.

Science.gov (United States)

Jee, Jeong-Hyun; Ahn, Hyo-Won; Seo, Kyung-Won; Kim, Seong-Hun; Kook, Yoon-Ah; Chung, Kyu-Rhim; Nelson, Gerald

2014-09-01

To evaluate the therapeutic effects of a preformed assembly of nickel-titanium (NiTi) and stainless steel (SS) archwires (preformed C-wire) combined with temporary skeletal anchorage devices (TSADs) as the sole source of anchorage and to compare these effects with those of a SS version of C-wire (conventional C-wire) for en-masse retraction. Thirty-one adult female patients with skeletal Class I or II dentoalveolar protrusion, mild-to-moderate anterior crowding (3.0-6.0 mm), and stable Class I posterior occlusion were divided into conventional (n = 15) and preformed (n = 16) C-wire groups. All subjects underwent first premolar extractions and en-masse retraction with pre-adjusted edgewise anterior brackets, the assigned C-wire, and maxillary C-tubes or C-implants; bonded mesh-tube appliances were used in the mandibular dentition. Differences in pretreatment and post-retraction measurements of skeletal, dental, and soft-tissue cephalometric variables were statistically analyzed. Both groups showed full retraction of the maxillary anterior teeth by controlled tipping and space closure without altered posterior occlusion. However, the preformed C-wire group had a shorter retraction period (by 3.2 months). Furthermore, the maxillary molars in this group showed no significant mesialization, mesial tipping, or extrusion; some mesialization and mesial tipping occurred in the conventional C-wire group. Preformed C-wires combined with maxillary TSADs enable simultaneous leveling and space closure from the beginning of the treatment without maxillary posterior bonding. This allows for faster treatment of dentoalveolar protrusion without unwanted side effects, when compared with conventional C-wire, evidencing its clinical expediency.

Effect of surface treatment on mechanical properties of glass fiber/stainless steel wire mesh reinforced epoxy hybrid composites

Energy Technology Data Exchange (ETDEWEB)

N, Karunagaran [S.K.P Engineering College, Tiruvannamalai (India); A, Rajadurai [Anna University, Chennai (India)

2016-06-15

This paper investigates the effect of surface treatment for glass fiber, stainless steel wire mesh on tensile, flexural, inter-laminar shear and impact properties of glass fiber/stainless steel wire mesh reinforced epoxy hybrid composites. The glass fiber fabric is surface treated either by 1 N solution of sulfuric acid or 1 N solution of sodium hydroxide. The stainless steel wire mesh is also surface treated by either electro dissolution or sand blasting. The hybrid composites are fabricated using epoxy resin reinforced with glass fiber and fine stainless steel wire mesh by hand lay-up technique at room temperature. The hybrid composite consisting of acid treated glass fiber and sand blasted stainless steel wire mesh exhibits a good combination of tensile, flexural, inter-laminar shear and impact behavior in comparison with the composites made without any surface treatment. The fine morphological modifications made on the surface of the glass fiber and stainless steel wire mesh enhances the bonding between the resin and reinforcement which inturn improved the tensile, flexural, inter-laminar shear and impact properties.

On the physical origin of blue-shifted hydrogen bonds.

Science.gov (United States)

Li, Xiaosong; Liu, Lei; Schlegel, H Bernhard

2002-08-14

For blue-shifted hydrogen-bonded systems, the hydrogen stretching frequency increases rather than decreases on complexation. In computations at various levels of theory, the blue-shift in the archetypical system, F(3)C-H.FH, is reproduced at the Hartree-Fock level, indicating that electron correlation is not the primary cause. Calculations also demonstrate that a blue-shift does not require either a carbon center or the absence of a lone pair on the proton donor, because F(3)Si-H.OH(2), F(2)NH.FH, F(2)PH.NH(3), and F(2)PH.OH(2) have substantial blue-shifts. Orbital interactions are shown to lengthen the X-H bond and lower its vibrational frequency, and thus cannot be the source of the blue-shift. In the F(3)CH.FH system, the charge redistribution in F(3)CH can be reproduced very well by replacing the FH with a simple dipole, which suggests that the interactions are predominantly electrostatic. When modeled with a point charge for the proton acceptor, attractive electrostatic interactions elongate the F(3)C-H, while repulsive interactions shorten it. At the equilibrium geometry of a hydrogen-bonded complex, the electrostatic attraction between the dipole moments of the proton donor and proton acceptor must be balanced by the Pauli repulsion between the two fragments. In the absence of orbital interactions that cause bond elongation, this repulsive interaction leads to compression of the X-H bond and a blue-shift in its vibrational frequency.

Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method

Science.gov (United States)

Muthu, S.; Prabhakaran, A.

2014-08-01

In this work, we reported the vibrational spectra of tranexamic acid (TA) by experimental and quantum chemical calculation. The solid phase FT-Raman and FT-IR spectra of the title compound were recorded in the region 4000 cm-1 to 100 cm-1 and 4000 cm-1 to 400 cm-1 respectively. The molecular geometry, harmonic vibrational frequencies and bonding features of TA in the ground state have been calculated by using density functional theory (DFT) B3LYP method with standard 6-31G(d,p) basis set. The scaled theoretical wavenumber showed very good agreement with the experimental values. The vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the σ* and π* antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. The electrostatic potential mapped onto an isodensity surface has been obtained. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The thermodynamic properties (heat capacity, entropy, and enthalpy) of the title compound at different temperatures were calculated in gas phase.

Nanodiamond resonators fabricated on 8″ Si substrates using adhesive wafer bonding

Science.gov (United States)

Lebedev, V.; Lisec, T.; Yoshikawa, T.; Reusch, M.; Iankov, D.; Giese, C.; Žukauskaitė, A.; Cimalla, V.; Ambacher, O.

2017-06-01

In this work, the adhesive wafer bonding of diamond thin films onto 8″ silicon substrates is reported. In order to characterize bonded nano-crystalline diamond layers, vibrometry and interferometry studies of micro-fabricated flexural beam and disk resonators were carried out. In particular, surface topology along with resonant frequencies, eigenmodes and mechanical quality factors were recorded and analyzed in order to obtain physical parameters of the transferred films. The vibration properties of the bonded resonators were compared to those fabricated directly on 3″ silicon substrates.

Lumped Parameter Modeling for Rapid Vibration Response Prototyping and Test Correlation for Electronic Units

Science.gov (United States)

Van Dyke, Michael B.

2013-01-01

Present preliminary work using lumped parameter models to approximate dynamic response of electronic units to random vibration; Derive a general N-DOF model for application to electronic units; Illustrate parametric influence of model parameters; Implication of coupled dynamics for unit/board design; Demonstrate use of model to infer printed wiring board (PWB) dynamics from external chassis test measurement.

Noble gas bond and the behaviour of XeO3 under pressure.

Science.gov (United States)

Hou, Chunju; Wang, Xianlong; Botana, Jorge; Miao, Maosheng

2017-10-18

Over the past few decades, the concept of hydrogen bonds, in which hydrogen is electrophilic, has been extended to halogen bonds, chalcogen bonds and pnicogen bonds. Herein, we show that such a non-covalent bonding also exists in noble gas compounds. Using first principles calculations, we illustrate the OXe-O bond in molecular crystal XeO 3 and its effect on the behavior of this compound under pressure. Our calculations show that the covalent Xe-O bond lengths were elongated with increasing pressure and correspondingly the Xe-O stretching vibration frequencies were red shifted, which is similar to the change of H-bonds under pressure. The OXe-O bond and related hopping of O between neighboring Xe sites also correspond to the structural changes in the XeO 3 compounds at about 2 GPa. Our study extends the concept of hydrogen bonding to include all p-block elements and show a new bonding type for Noble gas elements in which it acts as an electrophilic species.

Binding matter with antimatter: the covalent positron bond.

Science.gov (United States)

Charry, Jorge Alfonso; Varella, Marcio T Do N; Reyes, Andrés

2018-05-16

We report sufficient theoretical evidence of the energy stability of the e⁺H₂²⁻ molecule, formed by two H⁻ anions and one positron. Analysis of the electronic and positronic densities of the latter compound undoubtedly points out the formation of a positronic covalent bond between the otherwise repelling hydride anions. The lower limit for the bonding energy of the e⁺H₂²⁻ molecule is 74 kJ/mol (0.77 eV), accounting for the zero-point vibrational correction. The formation of a non electronic covalent bond is fundamentally distinct from positron attachment to stable molecules, as the latter process is characterized by a positron affinity, analogous to the electron affinity. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Detection of a buried wire with two resistively loaded wire antennas

NARCIS (Netherlands)

Vossen, S.H.J.A.; Tijhuis, A.G.; Lepelaars, E.S.A.M.; Zwamborn, A.P.M.

2002-01-01

The use of two identical straight thin-wire antennas for the detection of a buried wire is analyzed with the aid of numerical calculations. The buried wire is located below an interface between two homogeneous half-spaces. The detection setup, which is formed by a transmitting and a receiving wire,

wire chamber

CERN Multimedia

1985-01-01

Multi-wire detectors contain layers of positively and negatively charged wires enclosed in a chamber full of gas. A charged particle passing through the chamber knocks negatively charged electrons out of atoms in the gas, leaving behind positive ions. The electrons are pulled towards the positively charged wires. They collide with other atoms on the way, producing an avalanche of electrons and ions. The movement of these electrons and ions induces an electric pulse in the wires which is collected by fast electronics. The size of the pulse is proportional to the energy loss of the original particle.

Wire chamber

CERN Multimedia

Multi-wire detectors contain layers of positively and negatively charged wires enclosed in a chamber full of gas. A charged particle passing through the chamber knocks negatively charged electrons out of atoms in the gas, leaving behind positive ions. The electrons are pulled towards the positively charged wires. They collide with other atoms on the way, producing an avalanche of electrons and ions. The movement of these electrons and ions induces an electric pulse in the wires which is collected by fast electronics. The size of the pulse is proportional to the energy loss of the original particle.

wire chamber

CERN Multimedia

Multi-wire detectors contain layers of positively and negatively charged wires enclosed in a chamber full of gas. A charged particle passing through the chamber knocks negatively charged electrons out of atoms in the gas, leaving behind positive ions. The electrons are pulled towards the positively charged wires. They collide with other atoms on the way, producing an avalanche of electrons and ions. The movement of these electrons and ions induces an electric pulse in the wires which is collected by fast electronics. The size of the pulse is proportional to the energy loss of the original particle.

Flow-Induced Vibration of Circular Cylindrical Structures

Energy Technology Data Exchange (ETDEWEB)

Chen, Shoei-Sheng [Argonne National Lab. (ANL), Argonne, IL (United States). Components Technology Division

1985-06-01

Flow-induced vibration is a term to denote those phenomena associated with the response of structures placed in or conveying fluid flow. More specifically, the terra covers those cases in which an interaction develops between fluid-dynamic forces and the inertia, damping or elastic forces in the structures. The study of these phenomena draws on three disciplines: (1) structural mechanics, (2) mechanical vibration, and (3) fluid dynamics. The vibration of circular cylinders subject to flow has been known to man since ancient times; the vibration of a wire at its natural frequency in response to vortex shedding was known in ancient Greece as aeolian tones. But systematic studies of the problem were not made until a century ago when Strouhal established the relationship between vortex shedding frequency and flow velocity for a given cylinder diameter. The early research in this area has beer summarized by Zdravkovich (1985) and Goldstein (1965). Flow-induced structural vibration has been experienced in numerous fields, including the aerospace industry, power generation/transmission (turbine blades, heat exchanger tubes, nuclear reactor components), civil engineering (bridges, building, smoke stacks), and undersea technology. The problems have usually been encountered or created accidentally through improper design. In most cases, a structural or mechanical component, designed to meet specific objectives, develops problems when the undesired effects of flow field have not been accounted for in the design. When a flow-induced vibration problem is noted in the design stage, the engineer has different options to eliminate the detrimental vibration. Unfortunately, in many situations, the problems occur after the components are already in operation; the "fix" usually is very costly. Flow-induced vibration comprises complex and diverse phenomena; subcritical vibration of nuclear fuel assemblies, galloping of transmission lines, flutter of pipes conveying fluid, and whirling

High-strength high-conductivity Cu-Nb microcomposite sheet fabricated via multiple roll bonding

International Nuclear Information System (INIS)

Jha, S.C.; Delagi, R.G.; Forster, J.A.; Krotz, P.D.

1993-01-01

Copper-niobium microcomposites are a new class of high-strength high-conductivity materials that have attractive properties for room- and elevated-temperature applications. Since Nb has little solid solubility in Cu, addition of Nb to Cu does not affect its conductivity. Copper-niobium microcomposites are melted and cast so that the microstructure of cast Cu-Nb ingots consists of 1- to 10 μm Nb dendrites uniformly distributed within the copper matrix. Extensive wire drawing with a true processing strain (η> 12) of Cu-Nb alloy leads to refinement and elongation of Nb dendrites into 1- to 10 nm-thick filaments. The presence of such fine Nb filaments causes a significant increase in the strength of Cu-Nb wires. The tensile strength of heavily drawn Cu-Nb wires was determined to be significantly higher than the values predicted by the rule of mixtures. This article reports the fabrication of high-strength Cu-Nb microcomposite sheet by multiple roll bonding. It is difficult and impractical to attain high processing strains (η>3) by simple cold rolling. In most practical cold-rolling operation, the thickness reduction does not exceed 90 pct (η ≅2). Therefore, innovative processing is required to generate high strength in Cu-Nb microcomposite sheet. Multiple roll bonding of Cu-Nb has been utilized to store high processing strain ( η>10) in the material and refine the Nb particle size within the copper matrix. This article describes the microstructure, mechanical properties, and thermal stability of roll-bonded Cu-Nb microcomposite sheet

Wire Array Photovoltaics

Science.gov (United States)

Turner-Evans, Dan

Over the past five years, the cost of solar panels has dropped drastically and, in concert, the number of installed modules has risen exponentially. However, solar electricity is still more than twice as expensive as electricity from a natural gas plant. Fortunately, wire array solar cells have emerged as a promising technology for further lowering the cost of solar. Si wire array solar cells are formed with a unique, low cost growth method and use 100 times less material than conventional Si cells. The wires can be embedded in a transparent, flexible polymer to create a free-standing array that can be rolled up for easy installation in a variety of form factors. Furthermore, by incorporating multijunctions into the wire morphology, higher efficiencies can be achieved while taking advantage of the unique defect relaxation pathways afforded by the 3D wire geometry. The work in this thesis shepherded Si wires from undoped arrays to flexible, functional large area devices and laid the groundwork for multijunction wire array cells. Fabrication techniques were developed to turn intrinsic Si wires into full p-n junctions and the wires were passivated with a-Si:H and a-SiNx:H. Single wire devices yielded open circuit voltages of 600 mV and efficiencies of 9%. The arrays were then embedded in a polymer and contacted with a transparent, flexible, Ni nanoparticle and Ag nanowire top contact. The contact connected >99% of the wires in parallel and yielded flexible, substrate free solar cells featuring hundreds of thousands of wires. Building on the success of the Si wire arrays, GaP was epitaxially grown on the material to create heterostructures for photoelectrochemistry. These cells were limited by low absorption in the GaP due to its indirect bandgap, and poor current collection due to a diffusion length of only 80 nm. However, GaAsP on SiGe offers a superior combination of materials, and wire architectures based on these semiconductors were investigated for multijunction

Raman intensity and vibrational modes of armchair CNTs

Science.gov (United States)

Hur, Jaewoong; Stuart, Steven J.

2017-07-01

Raman intensity changes and frequency patterns have been studied using the various armchair (n, n) to understand the variations of bond polarizability, in regard to changing diameters, lengths, and the number of atoms in the (n, n). The Raman intensity trends of the (n, n) are validated by those of Cn isomers. For frequency trends, similar frequency patterns and frequency inward shifts for the (n, n) are characterized. Also, VDOS trends of the (n, n) expressing Raman modes are interpreted. The decomposition of vibrational modes in the (n, n) into radial, longitudinal, and tangential mode is beneficially used to recognize the distinct characteristics of vibrational modes.

Vibrational spectroscopy in the electron microscope.

Science.gov (United States)

Krivanek, Ondrej L; Lovejoy, Tracy C; Dellby, Niklas; Aoki, Toshihiro; Carpenter, R W; Rez, Peter; Soignard, Emmanuel; Zhu, Jiangtao; Batson, Philip E; Lagos, Maureen J; Egerton, Ray F; Crozier, Peter A

2014-10-09

Vibrational spectroscopies using infrared radiation, Raman scattering, neutrons, low-energy electrons and inelastic electron tunnelling are powerful techniques that can analyse bonding arrangements, identify chemical compounds and probe many other important properties of materials. The spatial resolution of these spectroscopies is typically one micrometre or more, although it can reach a few tens of nanometres or even a few ångströms when enhanced by the presence of a sharp metallic tip. If vibrational spectroscopy could be combined with the spatial resolution and flexibility of the transmission electron microscope, it would open up the study of vibrational modes in many different types of nanostructures. Unfortunately, the energy resolution of electron energy loss spectroscopy performed in the electron microscope has until now been too poor to allow such a combination. Recent developments that have improved the attainable energy resolution of electron energy loss spectroscopy in a scanning transmission electron microscope to around ten millielectronvolts now allow vibrational spectroscopy to be carried out in the electron microscope. Here we describe the innovations responsible for the progress, and present examples of applications in inorganic and organic materials, including the detection of hydrogen. We also demonstrate that the vibrational signal has both high- and low-spatial-resolution components, that the first component can be used to map vibrational features at nanometre-level resolution, and that the second component can be used for analysis carried out with the beam positioned just outside the sample--that is, for 'aloof' spectroscopy that largely avoids radiation damage.

Synthesis, characterization and vibrational spectra analysis of ethyl (2Z)-2-(2-amino-4-oxo-1,3-oxazol-5(4H)-ylidene)-3-oxo-3-phenylpropanoate

Science.gov (United States)

Kıbrız, İbrahim Evren; Sert, Yusuf; Saçmacı, Mustafa; Şahin, Ertan; Yıldırım, İsmail; Ucun, Fatih

2013-10-01

In the present study, the experimental and theoretical vibrational spectra of ethyl (2Z)-2-(2-amino-4-oxo-1,3-oxazol-5(4H)-ylidene)-3-oxo-3-phenylpropanoate (AOX) were investigated. The experimental FT-IR (400-4000 cm-1) and Laser-Raman spectra (100-4000 cm-1) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths, bond angles and torsion angles) were calculated using ab initio Hartree Fock (HF), Density Functional Theory (B3LYP and B3PW91) methods with 6-311++G(d,p) basis set by Gaussian 03 program, for the first time. The computed values of frequencies are scaled using a suitable scale factor to yield good coherence with the observed values. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. The theoretical optimized geometric parameters and vibrational frequencies were compared with the corresponding experimental X-ray diffraction data, and they were seen to be in a good agreement with each other. The hydrogen bonding geometry of the molecule was also simulated to evaluate the effect of intermolecular hydrogen bonding on the vibrational frequencies. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies were found.

En-masse retraction with a preformed nickel-titanium and stainless steel archwire assembly and temporary skeletal anchorage devices without posterior bonding

Science.gov (United States)

Jee, Jeong-Hyun; Ahn, Hyo-Won; Seo, Kyung-Won; Kook, Yoon-Ah; Chung, Kyu-Rhim; Nelson, Gerald

2014-01-01

Objective To evaluate the therapeutic effects of a preformed assembly of nickel-titanium (NiTi) and stainless steel (SS) archwires (preformed C-wire) combined with temporary skeletal anchorage devices (TSADs) as the sole source of anchorage and to compare these effects with those of a SS version of C-wire (conventional C-wire) for en-masse retraction. Methods Thirty-one adult female patients with skeletal Class I or II dentoalveolar protrusion, mild-to-moderate anterior crowding (3.0-6.0 mm), and stable Class I posterior occlusion were divided into conventional (n = 15) and preformed (n = 16) C-wire groups. All subjects underwent first premolar extractions and en-masse retraction with pre-adjusted edgewise anterior brackets, the assigned C-wire, and maxillary C-tubes or C-implants; bonded mesh-tube appliances were used in the mandibular dentition. Differences in pretreatment and post-retraction measurements of skeletal, dental, and soft-tissue cephalometric variables were statistically analyzed. Results Both groups showed full retraction of the maxillary anterior teeth by controlled tipping and space closure without altered posterior occlusion. However, the preformed C-wire group had a shorter retraction period (by 3.2 months). Furthermore, the maxillary molars in this group showed no significant mesialization, mesial tipping, or extrusion; some mesialization and mesial tipping occurred in the conventional C-wire group. Conclusions Preformed C-wires combined with maxillary TSADs enable simultaneous leveling and space closure from the beginning of the treatment without maxillary posterior bonding. This allows for faster treatment of dentoalveolar protrusion without unwanted side effects, when compared with conventional C-wire, evidencing its clinical expediency. PMID:25309863

PREFACE: Vibrations at surfaces Vibrations at surfaces

Science.gov (United States)

Rahman, Talat S.

2011-12-01

This special issue is dedicated to the phenomenon of vibrations at surfaces—a topic that was indispensible a couple of decades ago, since it was one of the few phenomena capable of revealing the nature of binding at solid surfaces. For clean surfaces, the frequencies of modes with characteristic displacement patterns revealed how surface geometry, as well as the nature of binding between atoms in the surface layers, could be different from that in the bulk solid. Dispersion of the surface phonons provided further measures of interatomic interactions. For chemisorbed molecules on surfaces, frequencies and dispersion of the vibrational modes were also critical for determining adsorption sites. In other words, vibrations at surfaces served as a reliable means of extracting information about surface structure, chemisorption and overlayer formation. Experimental techniques, such as electron energy loss spectroscopy and helium-atom-surface scattering, coupled with infra-red spectroscopy, were continually refined and their resolutions enhanced to capture subtleties in the dynamics of atoms and molecules at surfaces. Theoretical methods, whether based on empirical and semi-empirical interatomic potential or on ab initio electronic structure calculations, helped decipher experimental observations and provide deeper insights into the nature of the bond between atoms and molecules in regions of reduced symmetry, as encountered on solid surfaces. Vibrations at surfaces were thus an integral part of the set of phenomena that characterized surface science. Dedicated workshops and conferences were held to explore the variety of interesting and puzzling features revealed in experimental and theoretical investigations of surface vibrational modes and their dispersion. One such conference, Vibrations at Surfaces, first organized by Harald Ibach in Juelich in 1980, continues to this day. The 13th International Conference on Vibrations at Surfaces was held at the University of

49 CFR 236.74 - Protection of insulated wire; splice in underground wire.

Science.gov (United States)

2010-10-01

... underground wire. 236.74 Section 236.74 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RULES, STANDARDS, AND INSTRUCTIONS GOVERNING... wire; splice in underground wire. Insulated wire shall be protected from mechanical injury. The...

49 CFR 234.241 - Protection of insulated wire; splice in underground wire.

Science.gov (United States)

2010-10-01

... underground wire. 234.241 Section 234.241 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF TRANSPORTATION GRADE CROSSING SIGNAL SYSTEM SAFETY... of insulated wire; splice in underground wire. Insulated wire shall be protected from mechanical...

wire chamber

CERN Multimedia

Was used in ISR (Intersecting Storage Ring) split field magnet experiment. Multi-wire detectors contain layers of positively and negatively charged wires enclosed in a chamber full of gas. A charged particle passing through the chamber knocks negatively charged electrons out of atoms in the gas, leaving behind positive ions. The electrons are pulled towards the positively charged wires. They collide with other atoms on the way, producing an avalanche of electrons and ions. The movement of these electrons and ions induces an electric pulse in the wires which is collected by fast electronics. The size of the pulse is proportional to the energy loss of the original particle.

Theoretical study of hydrogen bond interactions of fluvastatin with ι-carrageenan and λ-carrageenan.

Science.gov (United States)

Papadopoulos, Anastasios G; Sigalas, Michael P

2011-07-01

The binding of the reductase inhibitor drug fluvastatin, hydroxy-3-methylglutaryl coenzyme A, with the hydrophilic ι- or λ-carrageenan polymers, serving as potential controllers of the drug's release rate, have been studied at the density functional level of theory with the B3LYP exchange correlation functional. Three low energy conformers of fluvastatin have been calculated. The vibrational spectroscopic properties calculated for the most stable conformer were in satisfactory agreement with the experimental data. A series of hydrogen bonded complexes of the most stable conformer of fluvastatin anion with low molecular weight models of the polymers have been fully optimized. In almost all, intermolecular H-bonds are formed between the sulfate groups of ι- or λ-carrageenan and fluvastatin's hydroxyls, resulting in a red shift of the fluvastatin's O - H stretching vibrations. Cooperative intramolecular H-bonds within fluvastatin or ι-, λ-carrageenan are also present. The BSSE and ZPE corrected interaction energies were estimated in the range 281-318 kJ mol⁻¹ for ι-carrageenan - fluvastatin and 145-200 kJ mol⁻¹ for λ-carrageenan - fluvastatin complexes. The electron density (ρ (bcp)) and Laplacian (∇²ρ (bcp)) properties at critical points of the intermolecular hydrogen bonds, estimated by AIM (atoms in molecules) calculations, have a low and positive character (∇²ρ(bcp) > 0), consistent with the electrostatic character of the hydrogen bonds. The structural and energetic data observed, as well as the extent of the red shift of the fluvastatin's O - H stretching vibrations upon complex formation and the properties of electron density show a stronger binding of fluvastatin to ι- than to λ-carrageenan.

Experimental and computational study on molecular structure and vibrational analysis of a modified biomolecule: 5-Bromo-2'-deoxyuridine

Science.gov (United States)

Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih

In the present study, the experimental and theoretical vibrational spectra of 5-bromo-2'-deoxyuridine were investigated. The experimental FT-IR (400-4000 cm-1) and μ-Raman spectra (100-4000 cm-1) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) were calculated using ab initio Hartree Fock (HF) and density functional B3LYP method with 6-31G(d), 6-31G(d,p), 6-311++G(d) and 6-311++G(d,p) basis sets by Gaussian program, for the first time. The assignments of vibrational frequencies were performed by potential energy distribution by using VEDA 4 program. The optimized geometric parameters and theoretical vibrational frequencies are compared with the corresponding experimental data and they were seen to be in a good agreement with the each other. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies were found.

Vibration suppression of composite laminated beams using distributed piezoelectric patches

International Nuclear Information System (INIS)

Foda, M A; Almajed, A A; ElMadany, M M

2010-01-01

The focus of this paper is to develop an analytical and straightforward approach to suppress the steady state transverse vibration of a symmetric cross-ply laminated composite beam that is excited by an external harmonic force. This is achieved by bonding patches of piezoelectric material at selected locations along the beam. The governing equations for the system are formulated and the dynamic Green's functions are used to obtain an exact solution for the problem. A scheme is proposed for determining the values of the driving voltages, the dimensions of the PZT patches and their locations along the beam, in order to confine the vibration in a certain chosen region where the vibration is not harmful and leave the other chosen region stationary or vibrating with very small amplitudes. Beams with different boundary conditions are considered. Numerical case studies are presented to verify the utility of the proposed scheme

Magnetostrictive clad steel plates for high-performance vibration energy harvesting

Science.gov (United States)

Yang, Zhenjun; Nakajima, Kenya; Onodera, Ryuichi; Tayama, Tsuyoki; Chiba, Daiki; Narita, Fumio

2018-02-01

Energy harvesting technology is becoming increasingly important with the appearance of the Internet of things. In this study, a magnetostrictive clad steel plate for harvesting vibration energy was proposed. It comprises a cold-rolled FeCo alloy and cold-rolled steel joined together by thermal diffusion bonding. The performances of the magnetostrictive FeCo clad steel plate and conventional FeCo plate cantilevers were compared under bending vibration; the results indicated that the clad steel plate construct exhibits high voltage and power output compared to a single-plate construct. Finite element analysis of the cantilevers under bending provided insights into the magnetic features of a clad steel plate, which is crucial for its high performance. For comparison, the experimental results of a commercial piezoelectric bimorph cantilever were also reported. In addition, the cold-rolled FeCo and Ni alloys were joined by thermal diffusion bonding, which exhibited outstanding energy harvesting performance. The larger the plate volume, the more the energy generated. The results of this study indicated not only a promising application for the magnetostrictive FeCo clad steel plate as an efficient energy harvester, related to small vibrations, but also the notable feasibility for the formation of integrated units to support high-power trains, automobiles, and electric vehicles.

Preparation of the Wire of ZChSnSb11-6 Used for Remanufacturing Thermal Spraying

Science.gov (United States)

Zhang, B.; Yang, Z. Y.; Fu, D. X.; Li, X. F.; Chen, W.

Tin base Babbitt alloy widely used in bearing bush production and repair, the performance of ZChSnSb11-6 is better than ZChSnSb8-4.But as a result of as-cast structure of ZChSnSb11-6 is rich in big hard phase, its processing performance is bad, in this paper, through the optimization of smelting, casting, extrusion, drawing and other processes we have been successfully prepared ZChSnSb11-6 wire suitable for thermal spraying. Through metallographic examination, micro hardness, bond strength and porosity testing, it was proved that the wire meet the requirements of bearing manufacturing thermal spraying.

Coherent control of bond making: the performance of rationally phase-shaped femtosecond laser pulses

International Nuclear Information System (INIS)

Levin, Liat; Amitay, Zohar; Skomorowski, Wojciech; Koch, Christiane P; Kosloff, Ronnie

2015-01-01

The first step in the coherent control of a photoinduced binary reaction is bond making or photoassociation. We have recently demonstrated coherent control of bond making in multi-photon femtosecond photoassociation of hot magnesium atoms, using linearly chirped pulses (Levin et al 2015 Phys. Rev. Lett. 114 233003). The detected yield of photoassociated magnesium dimers was enhanced by positively chirped pulses which is explained theoretically by a combination of purification and chirp-dependent Raman transitions. The yield could be further enhanced by pulse optimization resulting in pulses with an effective linear chirp and a sub-pulse structure, where the latter allows for exploiting vibrational coherences. Here, we systematically explore the efficiency of phase-shaped pulses for the coherent control of bond making, employing a parametrization of the spectral phases in the form of cosine functions. We find up to an order of magnitude enhancement of the yield compared to the unshaped transform-limited pulse. The highly performing pulses all display an overall temporally increasing instantaneous frequency and are composed of several overlapping sub-pulses. The time delay between the first two sub-pulses fits very well the vibrational frequency of the generated intermediate wavepacket. These findings are in agreement with chirp-dependent Raman transitions and exploitation of vibrational dynamics as underlying control mechanisms. (paper)

Molecular structure and vibrational spectra of Bis(melaminium) terephthalate dihydrate: A DFT computational study

Science.gov (United States)

Tanak, Hasan; Marchewka, Mariusz K.; Drozd, Marek

2013-03-01

The experimental and theoretical vibrational spectra of Bis(melaminium) terephthalate dihydrate were studied. The Fourier transform infrared (FT-IR) spectra of the Bis(melaminium) terephthalate dihydrate and its deuterated analogue were recorded in the solid phase. The molecular geometry and vibrational frequencies of Bis(melaminium) terephthalate dihydrate in the ground state have been calculated by using the density functional method (B3LYP) with 6-31++G(d,p) basis set. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction. The molecule contains the weak hydrogen bonds of Nsbnd H⋯O, Nsbnd H⋯N and Osbnd H⋯O types, and those bonds are calculated with DFT method. In addition, molecular electrostatic potential, frontier molecular orbitals and natural bond orbital analysis of the title compound were investigated by theoretical calculations. The lack of the second harmonic generation (SHG) confirms the presence of macroscopic center of inversion.

Spectroscopic XPEEM of highly conductive SI-doped GaN wires

Energy Technology Data Exchange (ETDEWEB)

Renault, O., E-mail: olivier.renault@cea.fr [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Morin, J. [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Tchoulfian, P. [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); CNRS, Inst. NEEL, F-38042 Grenoble (France); Chevalier, N. [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Feyer, V. [Peter Grünberg Institute (PGI-6) and JARA-FIT, Research Center Jülich, D-52425 Jülich (Germany); Pernot, J. [Univ. Grenoble Alpes, F-38000 Grenoble (France); CNRS, Inst. NEEL, F-38042 Grenoble (France); Institut Universitaire de France, F-75005 Paris (France); Schneider, C.M. [Peter Grünberg Institute (PGI-6) and JARA-FIT, Research Center Jülich, D-52425 Jülich (Germany)

2015-12-15

Using soft X-ray photoelectron emission microscopy (XPEEM), complemented by scanning Auger microscopy (SAM) and scanning capacitance microscopy, we have quantitatively studied the incorporation of silicon and band bending at the surface (m-facet) of an individual, highly conductive Si-doped GaN micro-wires (Tchoulfian et al., Applied Physics Letters 102 (12), 2013). Electrically active n-dopants Si atoms in Ga interstitial sites are detected as nitride bonding states in the high-resolution Si2p core level spectra, and represent only a small fraction (<10%) of the overall Si surface concentration measured by SAM. The derived carrier concentration of 2×10{sup 21} at cm{sup −3} is in reasonable agreement with electrical measurements. A consistent surface band bending of ~1 eV is directly evidenced by surface photo-voltage measurements. Such an approach combining different surface-sensitive microscopies is of interest for studying other heavily doped semiconducting wires. - Highlights: • XPEEM analysis of state-of-the-art, heavily doped GaN wires with insights on the issue of the origin of the increased conductivity. • Combined microscopic approach with Scanning Auger microscopy and X-ray Photoeletron Emission Microscopy, to quantity the electrically active Si-dopants in GaN. • The determined concentration is found in reasonable agreement with the one derived from bulk electrical measurements. • The proposed method is of interest for studying the electronics and chemistry of doping in other heavily doped semiconducting wires.

Bond graph modelling of engineering systems: theory, applications and software support

National Research Council Canada - National Science Library

Borutzky, Wolfgang; Margolis, Donald L

2011-01-01

... way such that analytical or computer response predictions can be straightforwardly carried out. Bond graphs are a concise pictorial representation of all types of interacting energetic systems. In my experience working with engineers on the development of complex systems it is obvious that these systems suffer from thermal problems, structural problems, vibration and noise problems, and control and stability issues that do not fit into a single discipline. Bond graphs provide the link by which all these different ...

Studies on molecular structure, vibrational spectra and molecular docking analysis of 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate

Science.gov (United States)

Suresh, D. M.; Amalanathan, M.; Hubert Joe, I.; Bena Jothy, V.; Diao, Yun-Peng

2014-09-01

The molecular structure, vibrational analysis and molecular docking analysis of the 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate (MDDNAB) molecule have been carried out using FT-IR and FT-Raman spectroscopic techniques and DFT method. The equilibrium geometry, harmonic vibrational wave numbers, various bonding features have been computed using density functional method. The calculated molecular geometry has been compared with experimental data. The detailed interpretation of the vibrational spectra has been carried out by using VEDA program. The hyper-conjugative interactions and charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The simulated FT-IR and FT-Raman spectra satisfactorily coincide with the experimental spectra. The PES and charge analysis have been made. The molecular docking was done to identify the binding energy and the Hydrogen bonding with the cancer protein molecule.

The influence of large-amplitude librational motion on the hydrogen bond energy for alcohol–water complexes

DEFF Research Database (Denmark)

Andersen, Jonas; Heimdal, J.; Larsen, René Wugt

2015-01-01

is a superior hydrogen bond acceptor. The class of large-amplitude donor OH librational motion is shown to account for up to 5.1 kJ mol-1 of the destabilizing change of vibrational zero-point energy upon intermolecular OH...O hydrogen bond formation. The experimental findings are supported by complementary...

UV Resonance Raman Elucidation of the Terminal and Internal Peptide Bond Conformations of Crystalline and Solution Oligoglycines.

Science.gov (United States)

Bykov, Sergei V; Asher, Sanford A

2010-11-30

Spectroscopic investigations of macromolecules generally attempt to interpret the measured spectra in terms of the summed contributions of the different molecular fragments. This is the basis of the local mode approximation in vibrational spectroscopy. In the case of resonance Raman spectroscopy independent contributions of molecular fragments require both a local mode-like behavior and the uncoupled electronic transitions. Here we show that the deep UV resonance Raman spectra of aqueous solution phase oligoglycines show independent peptide bond molecular fragment contributions indicating that peptide bonds electronic transitions and vibrational modes are uncoupled. We utilize this result to separately determine the conformational distributions of the internal and penultimate peptide bonds of oligoglycines. Our data indicate that in aqueous solution the oligoglycine terminal residues populate conformations similar to those found in crystals (3(1)-helices and β-strands), but with a broader distribution, while the internal peptide bond conformations are centered around the 3(1)-helix Ramachandran angles.

Nonlinear Vibration of Ladle Crane due to a Moving Trolley

Directory of Open Access Journals (Sweden)

Yunsheng Xin

2018-01-01

Full Text Available The structural vibration of the main beam of a crane causes fatigue damage and discomfort to the driver. The swing of the payload has an effect on positioning precision, especially for a ladle crane, and this directly affects production safety. To study the influence of system parameters on the vibration of a crane’s main beam and the angle of the payload, a system consisting of the main beam, trolley, payload, and cabin was constructed. A rigid-flexible coupling dynamic model of a moving trolley with a hanging payload that moves on the flexible main beam with a concentrated cabin mass is established, and the direct integration method is used to solve the nonlinear differential equations of system vibration, which are obtained through Lagrange’s equation. Then, the time domain responses of the flexible main beam, payload angle, and cabin vibration are obtained. The influences of the trolley running speed, quality of the payload, and quality and position of the cabin on the vibration of the main beam and payload angle are analyzed. The results indicate that the amplitude of the main beam is directly proportional to the quality of the trolley, payload, and cab; the position of the cabin is closer to the mid-span; the amplitude of the main beam is larger; the structural damping has some influence on the vibration of the main beam; and the swing angle of the payload is related to the maximum running speed of the trolley, acceleration time, and length of the wire rope. In order to reduce the vibration of the main beam and cabin, the connection stiffness of the cabin should be ensured during installation.

PS wire chamber

CERN Multimedia

1970-01-01

A wire chamber used at CERN's Proton Synchrotron accelerator in the 1970s. Multi-wire detectors contain layers of positively and negatively charged wires enclosed in a chamber full of gas. A charged particle passing through the chamber knocks negatively charged electrons out of atoms in the gas, leaving behind positive ions. The electrons are pulled towards the positively charged wires. They collide with other atoms on the way, producing an avalanche of electrons and ions. The movement of these electrons and ions induces an electric pulse in the wires which is collected by fast electronics. The size of the pulse is proportional to the energy loss of the original particle.

Experimental and theoretical study on the structure and vibrational spectra of β-2-aminopyridinium dihydrogenphosphate

Science.gov (United States)

Çırak, Çağrı; Demir, Selçuk; Ucun, Fatih; Çubuk, Osman

2011-08-01

Experimental and theoretical vibrational spectra of β-2-aminopyridinium dihydrogenphosphate (β-2APDP) have been investigated. The FT-IR spectrum of β-2APDP was recorded in the region 4000-400 cm -1. The optimized molecular structure and theoretical vibrational frequencies of β-2APDP have been investigated using ab initio Hartree-Fock (HF) and density functional B3LYP method with 6-311++G(d,p) basis set. The optimized geometric parameters (bond lengths and bond angles) and theoretical frequencies have been compared with the corresponding experimental data and it is found that they agree well with each other. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. Furthermore, the used scale factors were obtained from the ratio of the frequency values of the strongest peaks in the experimental and theoretical IR spectra. From the results it was concluded that the B3LYP method is superior to the HF method for the vibrational frequencies.

Formation of a Molecular Wire Using the Chemically Adsorbed Monomolecular Layer Having Pyrrolyl Groups

Directory of Open Access Journals (Sweden)

Kazufumi Ogawa

2011-01-01

Full Text Available A molecular wire containing polypyrrolyl conjugate bonds has been prepared by a chemical adsorption technique using 1,1,1-trichloro-12-pyrrolyl-1-siladodecane (PNN and an electrooxidative polymerization technique, and the conductivity of the molecular wire without any dopant has been measured by using AFM/STM at room temperature. When sample dimension measured was about 0.3 nm (thickness of the conductive portion in the PNN monomolecular layer ×100 μm (the average width of an electric path ×2 mm (the distance between Pt positive electrode and the AFM tip covered with Au, the conductivity of the polymerized PNN molecular wire at room temperature was larger than 1.6 × 105 S/cm both in an atmosphere and in a vacuum chamber of 10−5 Torr. The activation energy obtained by Arrhenius' plots was almost zero in the temperature range between 320 and 450 K.

On the origin of bonding and vibrational frequency shifts for CO adsorbed on neutral, cationic and anionic gold clusters

International Nuclear Information System (INIS)

Bagus, P S; Pacchioni, G

2008-01-01

We report a detailed analysis of the electronic mechanisms which determine the bond strength and the vibrational frequency of CO molecules adsorbed on neutral or charged gold nanoparticles. To this end we have considered a simple cluster model, Au 5 CO q (q = +1, 0, -1), and decomposed the Au-CO interaction energy into the sum of various contributions according to a Constrained Space Orbital Variation approach. While the adsorption energy is relatively insensitive to the value of q, the C-O stretch frequency, ω e (CO), changes substantially, and allows the use of this molecule as a direct probe of the gold oxidation state. The results show that two major terms contribute to the red or blue shift of ω e (CO) as a function of q: the interaction with the electric field associated to the charged nanoparticle (Stark effect) and the Au → CO Φ back donation. The CO → Au σ donation is about half as important as the Φ back-donation and all other terms are much less important

Evidence of significant covalent bonding in Au(CN)(2)(-).

Science.gov (United States)

Wang, Xue-Bin; Wang, Yi-Lei; Yang, Jie; Xing, Xiao-Peng; Li, Jun; Wang, Lai-Sheng

2009-11-18

The Au(CN)(2)(-) ion is the most stable Au compound known for centuries, yet a detailed understanding of its chemical bonding is still lacking. Here we report direct experimental evidence of significant covalent bonding character in the Au-C bonds in Au(CN)(2)(-) using photoelectron spectroscopy and comparisons with its lighter congeners, Ag(CN)(2)(-) and Cu(CN)(2)(-). Vibrational progressions in the Au-C stretching mode were observed for all detachment transitions for Au(CN)(2)(-), in contrast to the atomic-like transitions for Cu(CN)(2)(-), revealing the Au-C covalent bonding character. In addition, rich electronic structural information was obtained for Au(CN)(2)(-) by employing 118 nm detachment photons. Density functional theory and high-level ab initio calculations were carried out to understand the photoelectron spectra and obtain insight into the nature of the chemical bonding in the M(CN)(2)(-) complexes. Significant covalent character in the Au-C bonding due to the strong relativistic effects was revealed in Au(CN)(2)(-), consistent with its high stability.

Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree-Fock and density functional theory calculations

Science.gov (United States)

Ucun, Fatih; Sağlam, Adnan; Güçlü, Vesile

2007-06-01

The molecular structures, vibrational frequencies and corresponding vibrational assignments of xanthine and its methyl derivatives (caffeine and theobromine) have been calculated using ab initio Hartree-Fock (HF) and density functional theory (B3LYP) methods with 6-31G(d, p) basis set level. The calculations were utilized to the CS symmetries of the molecules. The obtained vibrational frequencies and optimised geometric parameters (bond lengths and bond angles) were seen to be well agreement with the experimental data. The used scale factors which have been obtained the ratio of the frequency values of the strongest peaks in the calculated and experimental spectra seem to cause the gained vibrations well corresponding to the experimental ones. Theoretical infrared intensities and Raman activities are also reported.

Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity

Science.gov (United States)

2018-01-01

The structural heterogeneity of water at various interfaces can be revealed by time-resolved sum-frequency generation spectroscopy. The vibrational dynamics of the O–H stretch vibration of interfacial water can reflect structural variations. Specifically, the vibrational lifetime is typically found to increase with increasing frequency of the O–H stretch vibration, which can report on the hydrogen-bonding heterogeneity of water. We compare and contrast vibrational dynamics of water in contact with various surfaces, including vapor, biomolecules, and solid interfaces. The results reveal that variations in the vibrational lifetime with vibrational frequency are very typical, and can frequently be accounted for by the bulk-like heterogeneous response of interfacial water. Specific interfaces exist, however, for which the behavior is less straightforward. These insights into the heterogeneity of interfacial water thus obtained contribute to a better understanding of complex phenomena taking place at aqueous interfaces, such as photocatalytic reactions and protein folding. PMID:29490138

Calculation of vibrational shifts of nitrile probes in the active site of ketosteroid isomerase upon ligand binding.

Science.gov (United States)

Layfield, Joshua P; Hammes-Schiffer, Sharon

2013-01-16

The vibrational Stark effect provides insight into the roles of hydrogen bonding, electrostatics, and conformational motions in enzyme catalysis. In a recent application of this approach to the enzyme ketosteroid isomerase (KSI), thiocyanate probes were introduced in site-specific positions throughout the active site. This paper implements a quantum mechanical/molecular mechanical (QM/MM) approach for calculating the vibrational shifts of nitrile (CN) probes in proteins. This methodology is shown to reproduce the experimentally measured vibrational shifts upon binding of the intermediate analogue equilinen to KSI for two different nitrile probe positions. Analysis of the molecular dynamics simulations provides atomistic insight into the roles that key residues play in determining the electrostatic environment and hydrogen-bonding interactions experienced by the nitrile probe. For the M116C-CN probe, equilinen binding reorients an active-site water molecule that is directly hydrogen-bonded to the nitrile probe, resulting in a more linear C≡N--H angle and increasing the CN frequency upon binding. For the F86C-CN probe, equilinen binding orients the Asp103 residue, decreasing the hydrogen-bonding distance between the Asp103 backbone and the nitrile probe and slightly increasing the CN frequency. This QM/MM methodology is applicable to a wide range of biological systems and has the potential to assist in the elucidation of the fundamental principles underlying enzyme catalysis.

Carbon nanotube wires and cables: Near-term applications and future perspectives

Science.gov (United States)

Jarosz, Paul; Schauerman, Christopher; Alvarenga, Jack; Moses, Brian; Mastrangelo, Thomas; Raffaelle, Ryne; Ridgley, Richard; Landi, Brian

2011-11-01

Wires and cables are essential to modern society, and opportunities exist to develop new materials with reduced resistance, mass, and/or susceptibility to fatigue. This article describes how carbon nanotubes (CNTs) offer opportunities for integration into wires and cables for both power and data transmission due to their unique physical and electronic properties. Macroscopic CNT wires and ribbons are presently shown as viable replacements for metallic conductors in lab-scale demonstrations of coaxial, USB, and Ethernet cables. In certain applications, such as the outer conductor of a coaxial cable, CNT materials may be positioned to displace metals to achieve substantial benefits (e.g. reduction in cable mass per unit length (mass/length) up to 50% in some cases). Bulk CNT materials possess several unique properties which may offer advantages over metallic conductors, such as flexure tolerance and environmental stability. Specifically, CNT wires were observed to withstand greater than 200,000 bending cycles without increasing resistivity. Additionally, CNT wires exhibit no increase in resistivity after 80 days in a corrosive environment (1 M HCl), and little change in resistivity with temperature (electrical conductivity of CNT materials must be improved. Recently, the conductivity of a CNT wire prepared through simultaneous densification and doping has exceeded 1.3 × 106 S/m. This level of conductivity brings CNTs closer to copper (5.8 × 107 S/m) and competitive with some metals (e.g. gold) on a mass-normalized basis. Developments in manipulation of CNT materials (e.g. type enrichment, doping, alignment, and densification) have shown progress towards this goal. In parallel with efforts to improve bulk conductivity, integration of CNT materials into cabling architectures will require development in electrical contacting. Several methods for contacting bulk CNT materials to metals are demonstrated, including mechanical crimping and ultrasonic bonding, along with a

Filament to filament bridging and its influence on developing high critical current density in multifilamentary Bi2Sr2CaCu2Ox round wires

International Nuclear Information System (INIS)

Shen, T; Jiang, J; Kametani, F; Trociewitz, U P; Larbalestier, D C; Schwartz, J; Hellstrom, E E

2010-01-01

Increasing the critical current density (J c ) of the multifilamentary round wire Ag/Bi 2 Sr 2 CaCu 2 O x (2212) requires understanding its complicated microstructure, in which extensive bridges between filaments are prominent. In this first through-process quench study of 2212 round wire, we determined how its microstructure develops during a standard partial-melt process and how filament bridging occurs. We found that filaments can bond together in the melt state. As 2212 starts to grow on subsequent cooling, we observed that two types of 2212 bridges form. One type, which we call Type-A bridges, forms within filaments that bonded in the melt; Type-A bridges are single grains that span multiple bonded filaments. The other type, called Type-B bridges, form between discrete filaments through 2212 outgrowths that penetrate into the Ag matrix and intersect with other 2212 outgrowths from adjacent filaments. We believe the ability of these two types of bridges to carry inter-filament current is intrinsically different: Type-A bridges are high- J c inter-filament paths whereas Type-B bridges contain high-angle grain boundaries and are typically weak linked. Slow cooling leads to more filament bonding, more Type-A bridges and a doubling of J c without changing the flux pinning. We suggest that Type-A bridges create a 3D current flow that is vital to developing high J c in multifilamentary 2212 round wire.

Base Information Transport Infrastructure Wired (BITI Wired)

Science.gov (United States)

2016-03-01

2016 Major Automated Information System Annual Report Base Information Transport Infrastructure Wired (BITI Wired) Defense Acquisition Management...Combat Information Transport System program was restructured into two pre-Major Automated Information System (pre-MAIS) components: Information...Major Automated Information System MAIS OE - MAIS Original Estimate MAR – MAIS Annual Report MDA - Milestone Decision Authority MDD - Materiel

Load-Deflection and Friction Properties of PEEK Wires as Alternative Orthodontic Wires.

Science.gov (United States)

Tada, Yoshifumi; Hayakawa, Tohru; Nakamura, Yoshiki

2017-08-09

Polyetheretherketone (PEEK) is now attracting attention as an alternative to metal alloys in the dental field. In the present study, we evaluated the load-deflection characteristics of PEEK wires in addition to their frictional properties. Three types of PEEK wires are used: two sizes of rectangular shape, 0.016 × 0.022 in² and 0.019 × 0.025 in² (19-25PEEK), and rounded shape, diameter 0.016 in (16PEEK). As a control, Ni-Ti orthodontic wire, diameter 0.016 in, was used. The three-point bending properties were evaluated in a modified three-point bending system for orthodontics. The static friction between the orthodontic wire and the bracket was also measured. The load-deflection curves were similar among Ni-Ti and PEEK wires, except for 16PEEK with slot-lid ligation. The bending force of 19-25PEEK wire was comparable with that of Ni-Ti wire. 19-25PEEK showed the highest load at the deflection of 1500 μm ( p 0.05). No significant difference was seen in static friction between all three PEEK wires and Ni-Ti wire ( p > 0.05). It is suggested that 19-25PEEK will be applicable for orthodontic treatment with the use of slot-lid ligation.

Effect of electron-vibration interactions on the thermoelectric efficiency of molecular junctions.

Science.gov (United States)

Hsu, Bailey C; Chiang, Chi-Wei; Chen, Yu-Chang

2012-07-11

From first-principles approaches, we investigate the thermoelectric efficiency of a molecular junction where a benzene molecule is connected directly to the platinum electrodes. We calculate the thermoelectric figure of merit ZT in the presence of electron-vibration interactions with and without local heating under two scenarios: linear response and finite bias regimes. In the linear response regime, ZT saturates around the electrode temperature T(e) = 25 K in the elastic case, while in the inelastic case we observe a non-saturated and a much larger ZT beyond T(e) = 25 K attributed to the tail of the Fermi-Dirac distribution. In the finite bias regime, the inelastic effects reveal the signatures of the molecular vibrations in the low-temperature regime. The normal modes exhibiting structures in the inelastic profile are characterized by large components of atomic vibrations along the current density direction on top of each individual atom. In all cases, the inclusion of local heating leads to a higher wire temperature T(w) and thus magnifies further the influence of the electron-vibration interactions due to the increased number of local phonons.

Two-pulse laser control of bond-selective fragmentation

DEFF Research Database (Denmark)

Amstrup, Bjarne; Henriksen, Niels Engholm

1996-01-01

We elaborate on a two-pulse (pump-pump) laser control scheme for selective bond-breaking in molecules [Amstrup and Henriksen, J. Chem. Phys. 97, 8285 (1992)]. We show, in particular, that with this scheme one can overcome the obstacle of intramolecular vibrational relaxation. As an example, we...... consider an ozone molecule with isotopic substitution, that is, (OOO)-O-16-O-16-O-18. It is shown that asymmetric bond stretching can be created in simple (intense) laser fields. We predict that an alternating high selectivity between the channels O-16+(OO)-O-16-O-18 and (OO)-O-16-O-16+ O-18 can...

Effects of reprocessing on chemical and morphological properties of guide wires used in angioplasty

Directory of Open Access Journals (Sweden)

Rogério Valentim Gelamo

2013-09-01

Full Text Available OBJECTIVE: To investigate the influence of the reprocessing technique of enzymatic bath with ultrasonic cleaning and ethylene oxide sterilization on the chemical properties and morphological structure of polymeric coatings of guide wire for regular guiding catheter. METHODS: These techniques simulated the routine of guide wire reprocessing in many hemodynamic services in Brazil and other countries. Samples from three different manufacturers were verified by scanning electron microscopy and X-ray photoelectron spectroscopy. RESULTS: A single or double sterilization of the catheters with ethylene oxide was not associated with morphological or chemical changes. However, scanning electron microscopy images showed that the washing method was associated with rough morphological changes, including superficial holes and bubbles, in addition to chemical changes of external atomic layers of polymeric coating surfaces, as detected by the X-ray photoelectron spectroscopy method, which is compatible with extended chemical changes on catheter surfaces. CONCLUSION: The reprocessing of the catheters with ethylene oxide was not associated with morphological or chemical changes, and it seemed appropriate to maintain guide wire coating integrity. However, the method combining chemical cleaning with mechanical vibration resulted in rough anatomical and chemical surface deterioration, suggesting that this reprocessing method should be discouraged.

Theoretical estimation of pnicogen bonds and hydrogen bonds in small heterocyclic complexes: Red-shifts and blue-shifts ruled by polarization effects

International Nuclear Information System (INIS)

Oliveira, Boaz G.

2014-01-01

Graphical abstract: - Highlights: • This paper definitively discusses the interaction strength. • Analyses of the red-shifts and blue-shift. • Stretch frequencies of the hydrogen bonds and pnicogen bonds in heterocyclic compounds. • Theoretical calculations derived from topological parameters of the Quantum Theory of Atoms in Molecules (QTAIM). • The analysis of the Natural Bond Orbital (NBO) in line with the Bent’s rule of the chemical bonding. - Abstract: The occurrence of pnicogen bonds (N⋯P) and hydrogen bonds (F⋯H or Cl⋯H) in heterocyclic complexes formed by C 2 H 5 N⋯PH 3 , C 2 H 5 N⋯PH 2 F and C 2 H 5 N⋯PH 2 Cl was investigated at the B3LYP/6-311++G(d,p) level of theory. Analysis of the infrared spectra revealed the appearance of both red and blue shifts for the P–H bonds. However, in the case of the P–F and P–Cl bonds only red shifts were observed. The phenomenology of these vibration modes was interpreted on the basis of the QTAIM atomic radii as well as the contributions of the s and p orbitals determined via NBO calculations. The results of this latter investigation are consistent with the rehybridization theory and the Bent rule for chemical bonding. The charge transfer between N and P was determined in order to verify whether these atoms present an acid or base profile upon the formation of the pnicogen bonds

MOLECULAR STRUCTURE AND VIBRATIONAL FREQUENCIES OF

Directory of Open Access Journals (Sweden)

Fatih UCUN

2009-02-01

Full Text Available Abstract: The molecular structure, vibrational frequencies and the corresponding assignments of N-aminophthalimide (NAPH in the ground state have been calculated using the Hartree-Fock (HF and density functional methods (B3LYP with 6-31G (d, p basis set. The calculations were utilized in the CS symmetry of NAPH. The obtained vibrational frequencies and optimized geometric parameters (bond lengths and bond angles were seen to be in good agreement with the experimental data. The comparison of the observed and calculated results showed that B3LYP is superior to the scaled HF method. Theoretical infrared intensities and Raman activities were also reported. Key words: N-aminophthalimide; vibrations; IR spectra; Raman spectra; HF; DFT N-AMİNOFİTALOMİD'İN MOLEKÜLER YAPISI VE TİTREŞİM FREKANSLARI Özet: Temel haldeki N-aminofitalamidin (NAPH moleküler yapısı, titreşim frekansları ve uygun mod tanımlamaları, 6-31 G (d, p temel setli Hartree-Fock (HF ve yoğunluk fonksiyonu metodları (B3LYP kullanılarak hesaplandı. Hesaplamalar, NAPH'ın CS simetrisine uyarlandı. Elde edilen titreşim frekansları ve optimize geometrik parametreleri (bağ uzunlukları ve bağ açıları, deneysel değerlerle iyi bir uyum içinde olduğu görüldü. Deneysel ve teorik sonuçların karşılaştırılması, B3LYP'nin HF metodundan daha üstün olduğunu gösterdi. Ayrıca teorik infrared şiddetleri ve Raman aktiviteleri verildi. Anahtar Kelimeler: N-aminofitalamidin; titreşimler; IR spektrumu; Raman Spektrumu; HF; DFT

Redshift or adduct stabilization -- a computational study of hydrogen bonding in adducts of protonated carboxylic acids

DEFF Research Database (Denmark)

Olesen, Solveig Gaarn; Hammerum, Steen

2009-01-01

It is generally expected that the hydrogen bond strength in a D-H-A adduct is predicted by the difference between the proton affinities of D and A, measured by the adduct stabilization, and demonstrated by the IR redshift of the D-H bond stretching vibrational frequency. These criteria do...... not always yield consistent predictions, as illustrated by the hydrogen bonds formed by the E and Z OH groups of protonated carboxylic acids. The delta-PA and the stabilization of a series of hydrogen bonded adducts indicate that the E OH group forms the stronger hydrogen bonds, whereas the bond length...... carboxylic acids are different. The OH bond length and IR redshift afford the better measure of hydrogen bond strength....

Theory of wire number scaling in wire-array Z pinches

International Nuclear Information System (INIS)

Desjarlais, M.P.; Marder, B.M.

1999-01-01

Pulsed-power-driven Z pinches, produced by imploding cylindrical arrays of many wires, have generated very high x-ray radiation powers (>200 TW) and energies (2 MJ). Experiments have revealed a steady improvement in Z-pinch performance with increasing wire number at fixed total mass and array radius. The dominant mechanism acting to limit the performance of these devices is believed to be the Rayleigh-Taylor instability which broadens the radially imploding plasma sheath and consequently reduces the peak radiation power. A model is presented which describes an amplification over the two-dimensional Rayleigh-Taylor growth rate brought about by kink-like forces on the individual wires. This amplification factor goes to zero as the number of wires approaches infinity. This model gives results which are in good agreement with the experimental data and provides a scaling for wire-array Z pinches. copyright 1999 American Institute of Physics

The structure of betaxolol studied by infrared spectroscopy and natural bond orbital theory.

Science.gov (United States)

Canotilho, João; Castro, Ricardo A E

2010-08-01

Betaxolol is a selective beta(1) receptor blocker used in the treatment of hypertension and glaucoma. A study of the betaxolol structure based on infrared spectroscopy and natural bond orbital (NBO) theory is the main aim of the present research. FTIR spectra of the solid betaxolol were recorded in the region from 4000 to 400cm(-1), in the temperature range between 25 and -170 degrees C. For spectral interpretation, spectrum of the deuterated betaxolol and the theoretical vibrational spectra of the conformer present in the solid obtained at the B3LYP/6-31G* level of theory, were used. Further insight into the structure was provided by natural bond orbital theory. NBO analysis of the conformer, before and after optimization, was carried out at the same level of theory referred above. Vibrational modes involved in hydrogen bond in the stretching and bending region were used in the estimation of the enthalpy using empirical correlations between enthalpy and the frequency shift that occurs as a result of the establishment of intermolecular hydrogen bonds. A detailed study of the structure of betaxolol and of its intermolecular interactions was obtained from the combination spectroscopy and NBO theory. Copyright 2010 Elsevier B.V. All rights reserved.

Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants

DEFF Research Database (Denmark)

Pawlowski, F; Jorgensen, P; Olsen, Jeppe

2002-01-01

A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been...... calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree......-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a direct minimization of the CCSD(T) energy. The most accurate vibration-rotation interaction constants are those calculated at the CCSD(T)/cc-pVQZ level. The equilibrium bond distances determined from these interaction...

A Solvatochromic Model Calibrates Nitriles’ Vibrational Frequencies to Electrostatic Fields

Science.gov (United States)

Bagchi, Sayan; Fried, Stephen D.; Boxer, Steven G.

2012-01-01

Electrostatic interactions provide a primary connection between a protein’s three-dimensional structure and its function. Infrared (IR) probes are useful because vibrational frequencies of certain chemical groups, such as nitriles, are linearly sensitive to local electrostatic field, and can serve as a molecular electric field meter. IR spectroscopy has been used to study electrostatic changes or fluctuations in proteins, but measured peak frequencies have not been previously mapped to total electric fields, because of the absence of a field-frequency calibration and the complication of local chemical effects such as H-bonds. We report a solvatochromic model that provides a means to assess the H-bonding status of aromatic nitrile vibrational probes, and calibrates their vibrational frequencies to electrostatic field. The analysis involves correlations between the nitrile’s IR frequency and its 13C chemical shift, whose observation is facilitated by a robust method for introducing isotopes into aromatic nitriles. The method is tested on the model protein Ribonuclease S (RNase S) containing a labeled p-CN-Phe near the active site. Comparison of the measurements in RNase S against solvatochromic data gives an estimate of the average total electrostatic field at this location. The value determined agrees quantitatively with MD simulations, suggesting broader potential for the use of IR probes in the study of protein electrostatics. PMID:22694663

Dual wire welding torch and method

Science.gov (United States)

Diez, Fernando Martinez; Stump, Kevin S.; Ludewig, Howard W.; Kilty, Alan L.; Robinson, Matthew M.; Egland, Keith M.

2009-04-28

A welding torch includes a nozzle with a first welding wire guide configured to orient a first welding wire in a first welding wire orientation, and a second welding wire guide configured to orient a second welding wire in a second welding wire orientation that is non-coplanar and divergent with respect to the first welding wire orientation. A method of welding includes moving a welding torch with respect to a workpiece joint to be welded. During moving the welding torch, a first welding wire is fed through a first welding wire guide defining a first welding wire orientation and a second welding wire is fed through a second welding wire guide defining a second welding wire orientation that is divergent and non-coplanar with respect to the first welding wire orientation.

THERMO-MECHANICALLY PROCESSED ROLLED WIRE FOR HIGH-STRENGTH ON-BOARD WIRE

Directory of Open Access Journals (Sweden)

V. A. Lutsenko

2011-01-01

Full Text Available It is shown that at twisting of wire of diameter 1,83 mm, produced by direct wire drawing of thermomechanically processed rolled wire of diameter 5,5 mm of steel 90, metal stratification is completely eliminated at decrease of carbon, manganese and an additional alloying of chrome.

One century of Kirschner wires and Kirschner wire insertion techniques : A historical review

NARCIS (Netherlands)

Franssen, Bas B. G. M.; Schuurman, Arnold H.; Van der Molen, Aebele Mink; Kon, Moshe

A century ago, in 1909, Martin Kirschner (1879-942) introduced a smooth pin, presently known as the Kirschner wire (K-wire). The K-wire was initiallly used for skeletal traction and is now currently used for many different goals. The development of the K-wire and its insertion devices were mainly

Thermal Effects on Vibration and Control of Piezocomposite Kirchhoff Plate Modeled by Finite Elements Method

OpenAIRE

Sanbi, M.; Saadani, R.; Sbai, K.; Rahmoune, M.

2015-01-01

Theoretical and numerical results of the modeling of a smart plate are presented for optimal active vibration control. The smart plate consists of a rectangular aluminum piezocomposite plate modeled in cantilever configuration with surface bonded thermopiezoelectric patches. The patches are symmetrically bonded on top and bottom surfaces. A generic thermopiezoelastic theory for piezocomposite plate is derived, using linear thermopiezoelastic theory and Kirchhoff assumptions. Finite element eq...

Low-cost bump-bonding processes for high energy physics pixel detectors

CERN Document Server

AUTHOR|(CDS)2069357; Blank, Thomas; Colombo, Fabio; Dierlamm, Alexander Hermann; Husemann, Ulrich; Kudella, Simon; Weber, M

2016-01-01

In the next generation of collider experiments detectors will be challenged by unprecedented particle fluxes. Thus large detector arrays of highly pixelated detectors with minimal dead area will be required at reasonable costs. Bump-bonding of pixel detectors has been shown to be a major cost-driver. KIT is one of five production centers of the CMS barrel pixel detector for the Phase I Upgrade. In this contribution the SnPb bump-bonding process and the production yield is reported. In parallel to the production of the new CMS pixel detector, several alternatives to the expensive photolithography electroplating/electroless metal deposition technologies are developing. Recent progress and challenges faced in the development of bump-bonding technology based on gold-stud bonding by thin (15 μm) gold wire is presented. This technique allows producing metal bumps with diameters down to 30 μm without using photolithography processes, which are typically required to provide suitable under bump metallization. The sh...

Single-crystal-material-based induced-shear actuation for vibration reduction of helicopters with composite rotor system

International Nuclear Information System (INIS)

Pawar, Prashant M; Jung, Sung Nam

2008-01-01

In this study, an assessment is made for the helicopter vibration reduction of composite rotor blades using an active twist control concept. Special focus is given to the feasibility of implementing the benefits of the shear actuation mechanism along with elastic couplings of composite blades for achieving maximum vibration reduction. The governing equations of motion for composite rotor blades with surface bonded piezoceramic actuators are obtained using Hamilton's principle. The equations are then solved for dynamic response using finite element discretization in the spatial and time domains. A time domain unsteady aerodynamic theory with free wake model is used to obtain the airloads. A newly developed single-crystal piezoceramic material is introduced as an actuator material to exploit its superior shear actuation authority. Seven rotor blades with different elastic couplings representing stiffness properties similar to stiff-in-plane rotor blades are used to investigate the hub vibration characteristics. The rotor blades are modeled as a box beam with actuator layers bonded on the outer surface of the top and bottom of the box section. Numerical results show that a notable vibration reduction can be achieved for all the combinations of composite rotor blades. This investigation also brings out the effect of different elastic couplings on various vibration-reduction-related parameters which could be useful for the optimal design of composite helicopter blades

Single-crystal-material-based induced-shear actuation for vibration reduction of helicopters with composite rotor system

Science.gov (United States)

Pawar, Prashant M.; Jung, Sung Nam

2008-12-01

In this study, an assessment is made for the helicopter vibration reduction of composite rotor blades using an active twist control concept. Special focus is given to the feasibility of implementing the benefits of the shear actuation mechanism along with elastic couplings of composite blades for achieving maximum vibration reduction. The governing equations of motion for composite rotor blades with surface bonded piezoceramic actuators are obtained using Hamilton's principle. The equations are then solved for dynamic response using finite element discretization in the spatial and time domains. A time domain unsteady aerodynamic theory with free wake model is used to obtain the airloads. A newly developed single-crystal piezoceramic material is introduced as an actuator material to exploit its superior shear actuation authority. Seven rotor blades with different elastic couplings representing stiffness properties similar to stiff-in-plane rotor blades are used to investigate the hub vibration characteristics. The rotor blades are modeled as a box beam with actuator layers bonded on the outer surface of the top and bottom of the box section. Numerical results show that a notable vibration reduction can be achieved for all the combinations of composite rotor blades. This investigation also brings out the effect of different elastic couplings on various vibration-reduction-related parameters which could be useful for the optimal design of composite helicopter blades.

Effect of External Vibration on PZT Impedance Signature

Directory of Open Access Journals (Sweden)

Yaowen Yang

2008-11-01

Full Text Available Piezoelectric ceramic Lead Zirconate Titanate (PZT transducers, working on the principle of electromechanical impedance (EMI, are increasingly applied for structural health monitoring (SHM in aerospace, civil and mechanical engineering. The PZT transducers are usually surface bonded to or embedded in a structure and subjected to actuation so as to interrogate the structure at the desired frequency range. The interrogation results in the electromechanical admittance (inverse of EMI signatures which can be used to estimate the structural health or integrity according to the changes of the signatures. In the existing EMI method, the monitored structure is only excited by the PZT transducers for the interrogating of EMI signature, while the vibration of the structure caused by the external excitations other than the PZT actuation is not considered. However, many structures work under vibrations in practice. To monitor such structures, issues related to the effects of vibration on the EMI signature need to be addressed because these effects may lead to misinterpretation of the structural health. This paper develops an EMI model for beam structures, which takes into account the effect of beam vibration caused by the external excitations. An experimental study is carried out to verify the theoretical model. A lab size specimen with different external excitations is tested and the effect of vibration on EMI signature is discussed.

Effect of External Vibration on PZT Impedance Signature.

Science.gov (United States)

Yang, Yaowen; Miao, Aiwei

2008-11-01

Piezoelectric ceramic Lead Zirconate Titanate (PZT) transducers, working on the principle of electromechanical impedance (EMI), are increasingly applied for structural health monitoring (SHM) in aerospace, civil and mechanical engineering. The PZT transducers are usually surface bonded to or embedded in a structure and subjected to actuation so as to interrogate the structure at the desired frequency range. The interrogation results in the electromechanical admittance (inverse of EMI) signatures which can be used to estimate the structural health or integrity according to the changes of the signatures. In the existing EMI method, the monitored structure is only excited by the PZT transducers for the interrogating of EMI signature, while the vibration of the structure caused by the external excitations other than the PZT actuation is not considered. However, many structures work under vibrations in practice. To monitor such structures, issues related to the effects of vibration on the EMI signature need to be addressed because these effects may lead to misinterpretation of the structural health. This paper develops an EMI model for beam structures, which takes into account the effect of beam vibration caused by the external excitations. An experimental study is carried out to verify the theoretical model. A lab size specimen with different external excitations is tested and the effect of vibration on EMI signature is discussed.

Axisymmetric Vibration of Piezo-Lemv Composite Hollow Multilayer Cylinder

Directory of Open Access Journals (Sweden)

E. S. Nehru

2012-01-01

Full Text Available Axisymmetric vibration of an infinite piezolaminated multilayer hollow cylinder made of piezoelectric layers of 6 mm class and an isotropic LEMV (Linear Elastic Materials with Voids layers is studied. The frequency equations are obtained for the traction free outer surface with continuity conditions at the interfaces. Numerical results are carried out for the inner, middle, and outer hollow piezoelectric layers bonded by LEMV (It is hypothetical material layers and the dispersion curves are compared with that of a similar 3-layer model and of 3 and 5 layer models with inner, middle, and outer hollow piezoelectric layers bonded by CFRP (Carbon fiber reinforced plastics.

'There were more wires than him': the potential for wireless patient monitoring in neonatal intensive care.

Science.gov (United States)

Bonner, Oliver; Beardsall, Kathryn; Crilly, Nathan; Lasenby, Joan

2017-02-01

The neonatal intensive care unit (NICU) can be one of the most stressful hospital environments. Alongside providing intensive clinical care, it is important that parents have the opportunity for regular physical contact with their babies because the neonatal period is critical for parent-child bonding. At present, monitoring technology in the NICU requires multiple wired sensors to track each baby's vital signs. This study describes the experiences that parents and nurses have with the current monitoring methods, and reports on their responses to the concept of a wireless monitoring system. Semistructured interviews were conducted with six parents, each of whom had babies on the unit, and seven nurses who cared for those babies. The interviews initially focused on the participants' experiences of the current wired system and then on their responses to the concept of a wireless system. The transcripts were analysed using a general inductive approach to identify relevant themes. Participants reported on physical and psychological barriers to parental care, the ways in which the current system obstructed the efficient delivery of clinical care and the perceived benefits and risks of a wireless system. The parents and nurses identified that the wires impeded baby-parent bonding; physically and psychologically. While a wireless system was viewed as potentially enabling greater interaction, staff and parents highlighted potential concerns, including the size, weight and battery life of any new device. The many wires required to safely monitor babies within the NICU creates a negative environment for parents at a critical developmental period, in terms of physical and psychological interactions. Nurses also experience challenges with the existing system, which could negatively impact the clinical care delivery. Developing a wireless system could overcome these barriers, but there remain challenges in designing a device suitable for this unique environment.

Vibrational spectra of water solutions of azoles from QM/MM calculations: effects of solvation.

Science.gov (United States)

Tanzi, Luana; Ramondo, Fabio; Guidoni, Leonardo

2012-10-18

Using microsolvation models and mixed quantum/classical ab initio molecular dynamics simulations, we investigate the vibrational properties of two azoles in water solution: pyrazole and oxazole. The effects of the water-azole hydrogen bonding are rationalized by an extensive comparison between structural parameters and harmonic frequencies obtained by microsolvation models. Following the effective normal-mode analysis introduced by Martinez et al. [Martinez et al., J. Chem. Phys. 2006, 125, 144106], we identify the vibrational frequencies of the solutes using the decomposition of the vibrational density of states of the gas phase and solution dynamics. The calculated shifts from gas phase to solution are fairly in agreement with the available experimental data.

Picosecond dynamics of the glutamate receptor in response to agonist-induced vibrational excitation.

Science.gov (United States)

Kubo, Minoru; Shiomitsu, Eiji; Odai, Kei; Sugimoto, Tohru; Suzuki, Hideo; Ito, Etsuro

2004-02-01

Conformational changes of proteins are dominated by the excitation and relaxation processes of their vibrational states. To elucidate the mechanism of receptor activation, the conformation dynamics of receptors must be analyzed in response to agonist-induced vibrational excitation. In this study, we chose the bending vibrational mode of the guanidinium group of Arg485 of the glutamate receptor subunit GluR2 based on our previous studies, and we investigated picosecond dynamics of the glutamate receptor caused by the vibrational excitation of Arg485 via molecular dynamics simulations. The vibrational excitation energy in Arg485 in the ligand-binding site initially flowed into Lys730, and then into the J-helix at the subunit interface of the ligand-binding domain. Consequently, the atomic displacement in the subunit interface around an intersubunit hydrogen bond was evoked in about 3 ps. This atomic displacement may perturb the subunit packing of the receptor, triggering receptor activation. Copyright 2003 Wiley-Liss, Inc.

Wire Finishing Mill Rolling Bearing Fault Diagnosis Based on Feature Extraction and BP Neural Network

Directory of Open Access Journals (Sweden)

Hong-Yu LIU

2014-10-01

Full Text Available Rolling bearing is main part of rotary machine. It is frail section of rotary machine. Its running status affects entire mechanical equipment system performance directly. Vibration acceleration signals of the third finishing mill of Anshan Steel and Iron Group wire plant were collected in this paper. Fourier analysis, power spectrum analysis and wavelet transform were made on collected signals. Frequency domain feature extraction and wavelet transform feature extraction were made on collected signals. BP neural network fault diagnosis model was adopted. Frequency domain feature values and wavelet transform feature values were treated as neural network input values. Various typical fault models were treated as neural network output values. Corresponding relations between feature vector and fault omen were utilized. BP neural network model of typical wire plant finishing mill rolling bearing fault was constructed by training many groups sample data. After inputting sample needed to be diagnosed, wire plant finishing mill rolling bearing fault can be diagnosed. This research has important practical significance on enhancing rolling bearing fault diagnosis precision, repairing rolling bearing duly, decreasing stop time, enhancing equipment running efficiency and enhancing economic benefits.

Optical properties of Mn doped ZnO films and wires synthesized by thermal oxidation of ZnMn alloy

International Nuclear Information System (INIS)

Sima, M.; Mihut, L.; Vasile, E.; Sima, Ma.; Logofatu, C.

2015-01-01

Mn doped ZnO films and wires, having different manganese concentrations were synthesized by thermal oxidation of the corresponding ZnMn alloy films and wires electrodeposited on a gold substrate. Structural and optical properties were addressed with scanning electron microscopy, X-ray diffraction (XRD), Raman scattering and photoluminescence (PL). To estimate the manganese concentration in Mn doped ZnO films, X-ray photoelectron spectroscopy was used. XRD patterns indicate that the incorporation of Mn 2+ ions into the Zn 2+ site of ZnO lattice takes place. Quenching of the ZnO PL appears due to Mn 2+ ions in the ZnO lattice. Moreover, a significant decrease in the green emission of ZnO is reported in the case of the Mn doped ZnO wire array with a Mn concentration of 1.45%. The wurtzite ZnO has a total of 12 phonon modes, namely, one longitudinal acoustic (LA), two transverse acoustic (TA), three longitudinal optical (LO), and six transverse optical branches. Compared to the undoped ZnO, a gradual up-shift of the Raman lines assigned to the 2LA and A 1 (LO) vibrational modes, from 482 and 567 cm −1 to 532 and 580 cm −1 , respectively, takes place for the Mn doped ZnO films having a Mn concentration between 2 and 15%. Additionally, in the case of the Mn doped ZnO films with 7 and 15% Mn concentration, Raman spectra show the appearance and increase in the relative intensity of the ZnO Raman line assigned to the TA + LO vibrational mode in the 600–750 cm −1 spectral range. For the Mn-doped ZnO wires, the presence of the Raman line peaking at 527 cm −1 confirms the insertion of Mn 2+ ions in ZnO lattice. - Highlights: • Mn doped ZnO films and wires grown by thermal oxidation of ZnMn alloy • Incorporation of Mn 2+ ions into Zn 2+ site of ZnO lattice • Appearance of a strong Raman line in the spectral range 600–800 cm −1 at high Mn concentration • Compensation of the oxygen vacancy at higher Mn concentration in ZnO lattice

Measurement of Internal Friction for Tungsten by the Curve Vibrating Method with Variation of Voltage and Temperature

Directory of Open Access Journals (Sweden)

Elin Yusibani

2013-12-01

Full Text Available Application of a curved vibrating wire method (CVM to measure gas viscosity has been widely used. A fine Tungsten wire with 50 mm of diameter is bent into a semi-circular shape and arranged symmetrically in a magnetic field of about 0.2 T. The frequency domain is used for calculating the viscosity as a response for forced oscillation of the wire. Internal friction is one of the parameter in the CVM which is has to be measured beforeahead. Internal friction coefficien for the wire material which is the inverse of the quality factor has to be measured in a vacuum condition. The term involving internal friction actually represents the effective resistance of motion due to all non-viscous damping phenomena including internal friction and magnetic damping. The testing of internal friction measurement shows that at different induced voltage and elevated temperature at a vacuum condition, it gives the value of internal friction for Tungsten is around 1 to 4 10-4.

The effect of ligation on the load deflection characteristics of nickel titanium orthodontic wire.

Science.gov (United States)

Kasuya, Shugo; Nagasaka, Satoshi; Hanyuda, Ai; Ishimura, Sadao; Hirashita, Ayao

2007-12-01

This study examined the effect of ligation on the load-deflection characteristics of nickel-titanium (NiTi) orthodontic wire. A modified three-point bending system was used for bending the NiTi round wire, which was inserted and ligated in the slots of three brackets, one of which was bonded to each of the three bender rods. Three different ligation methods, stainless steel ligature (SSL), slot lid (SL), and elastomeric ligature (EL), were employed, as well as a control with neither bracket nor ligation (NBL). The tests were repeated five times under each condition. Comparisons were made of load-deflection curve, load at maximum deflection of 2,000 microm, and load at a deflection of 1,500 microm during unloading. Analysis of Variance (ANOVA) and Dunnett's test were conducted to determine method difference (alpha = 0.05). The interaction between deflection and ligation was tested, using repeated-measures ANOVA (alpha = 0.05). The load values of the ligation groups were two to three times greater than the NBL group at a deflection of 1,500 microm during unloading: 4.37 N for EL, 3.90 N for SSL, 3.02 N for SL, and 1.49 N for NBL (P wire may make NiTi wire exhibit a significantly heavier load than that traditionally expected. NiTi wire exhibited the majority of its true superelasticity with SL, whereas EL may act as a restraint on its superelasticity.

FTIR study of hydrogen bonding interaction between fluorinated alcohol and unsaturated esters

Science.gov (United States)

Sheng, Xia; Jiang, Xiaotong; Zhao, Hailiang; Wan, Dongjin; Liu, Yongde; Ngwenya, Cleopatra Ashley; Du, Lin

2018-06-01

The 1:1 complexes of two unsaturated esters with 2,2,2-trifluoroethanol (TFE) were investigated experimentally and computationally. The experimental observations of the spectral shifts of the OH-stretching vibrational transitions were obtained at 113 cm-1 for TFE-methyl acrylate (MA) and 92 cm-1 for TFE-vinyl acetate (VA). There are three docking sites in the two unsaturated esters for the incoming TFE. The predicted red shifts of the OH-stretching vibrational transitions were found to be larger for the Osbnd H⋯Odbnd C hydrogen bonded conformer than those for the Osbnd H⋯π and Osbnd H⋯O ones. The binding energies further prove that the Osbnd H⋯Odbnd C hydrogen bonded conformers are the most stable ones. On the basis of the DFT calculations as well as previous works, the carbonyl group is the best docking site for TFE. Furthermore, the thermodynamic equilibrium constants of TFE-MA and TFE-VA were obtained at 0.28 and 0.15 by combining the experimental spectra data and the DFT calculations. Consequently, the Gibbs free energies of formation were determined to be 3.2 and 4.8 kJ mol-1 for TFE-MA and TFE-VA, respectively. The quantum theory of atoms in molecules (AIM) and generalized Kohn-Sham energy decomposition analysis (GKS-EDA) were carried out for further characterization of the hydrogen bonding interactions. GKS-EDA shows an "electrostatic" dominated hydrogen bonding character for the Osbnd H⋯Odbnd C hydrogen bonds.

Impact of different rectangular wires on torsional expression of different sizes of buccal tube.

Science.gov (United States)

Ajami, Shabnam; Boroujeni, Afshar-Rasti

2018-01-01

Torsions in rectangular wires are the essential part of corrections in the finishing stage of treatment. Moreover the greatest amounts of torques are applied in the molar areas. a clinically effective moment is between 5 and 20 Nmm. In this study we have decided to evaluate the impact of different tube sizes and different dimensions of wires with different modulus of elasticities on the amount torsional bond strength of molar tubes. 60 human impacted molar teeth were collected. A buccal tube was bonded on the buccal surface of all the samples by using light cured adhesive resin. After that, the teeth were mounted in a hard acrylic block. According to the size of buccal tube and the rectangular wires to be tested 4 groups will be designed. Torsional force was applied by instron machine. The torque angle at 5Nmm and at 20Nmm point will be calculated: which means, how many degrees of torque is required to reach the maximum 20Nmm moment from the minimum 5Nmm.One-way ANOVA was used to compare torque angle in all of the groups. The least amount of clinically significant angle was 2.2 ᵒ in the 0.017×0.025 SS and the largest amount of it was 23.7 ᵒ in the 0.017×0.025 TMA in 0.018×0.025 slot molar tube. But, this angle was 19.9 ᵒand 13.6 ᵒ in 0.019×0.025 SS and 0.019×0.025 TMA archwire in 0.022×0.028 molar tube. The 0.017×0.025 SS archwire in 0.018×0.025 molar tube had the lowest clinically significant angle. The largest amount was seen in group 0.017×0.025 TMA in 0.018×0.025 slot molar tube. Key words: Torsional efficacy, rectangular wires, buccal tubes, torque angle.

1998 wire development workshop proceedings

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-04-01

This report consists of vugraphs of the presentations at the conference. The conference was divided into the following sessions: (1) First Generation Wire Development: Status and Issues; (2) First Generation Wire in Pre-Commercial Prototypes; (3) Second Generation Wire Development: Private Sector Progress and Issues; (4) Second Generation Wire Development: Federal Laboratories; and (5) Fundamental Research Issues for HTS Wire Development.

1998 wire development workshop proceedings

International Nuclear Information System (INIS)

1998-04-01

This report consists of vugraphs of the presentations at the conference. The conference was divided into the following sessions: (1) First Generation Wire Development: Status and Issues; (2) First Generation Wire in Pre-Commercial Prototypes; (3) Second Generation Wire Development: Private Sector Progress and Issues; (4) Second Generation Wire Development: Federal Laboratories; and (5) Fundamental Research Issues for HTS Wire Development

Molecular Origin of the Vibrational Structure of Ice Ih.

Science.gov (United States)

Moberg, Daniel R; Straight, Shelby C; Knight, Christopher; Paesani, Francesco

2017-06-15

An unambiguous assignment of the vibrational spectra of ice I h remains a matter of debate. This study demonstrates that an accurate representation of many-body interactions between water molecules, combined with an explicit treatment of nuclear quantum effects through many-body molecular dynamics (MB-MD), leads to a unified interpretation of the vibrational spectra of ice I h in terms of the structure and dynamics of the underlying hydrogen-bond network. All features of the infrared and Raman spectra in the OH stretching region can be unambiguously assigned by taking into account both the symmetry and the delocalized nature of the lattice vibrations as well as the local electrostatic environment experienced by each water molecule within the crystal. The high level of agreement with experiment raises prospects for predictive MB-MD simulations that, complementing analogous measurements, will provide molecular-level insights into fundamental processes taking place in bulk ice and on ice surfaces under different thermodynamic conditions.

Right wire in orthodontics: a review

OpenAIRE

Ali, Hashim

2015-01-01

Quality of orthodontic wire such as stiffness, hardness, resiliency, elasticity and working range are important determinants of the effectivenes of tooth movement. Commonly used types of orthodontic arch wire:1) stainless steel(ss) wire, 2) conventional nickel- titanium (NiTi)alloy wire,3) improved super elastic NiTi- alloy wire( also called low hysteresis(LH)wire), and titanium molybdenum alloy(TMA) wire.

Hydrogen bonded nonlinear optical γ-glycine: Crystal growth and characterization

Science.gov (United States)

Narayana Moolya, B.; Jayarama, A.; Sureshkumar, M. R.; Dharmaprakash, S. M.

2005-07-01

Single crystals of γ-glycine(GG) were grown by solvent evaporation technique from a mixture of aqueous solutions of glycine and ammonium nitrate at ambient temperature. X-ray diffraction, thermogravimetric/differential thermal analysis, Fourier transform infrared spectral techniques were employed to characterize the crystal. The lattice parameters were calculated and they agree well with the reported values. GG exists as dipolar ions in which the carboxyl group is present as a carboxylate ion and the amino group as an ammonium ion. Due to this dipolar nature, glycine has a high decomposition temperature. The UV cutoff of GG is below 300 nm and has a wide transparency window, which is suitable for second harmonic generation of laser in the blue region. Nonlinear optical characteristics of GG were studied using Q switched Nd:YAG laser ( λ=1064 nm). The second harmonic generation conversion efficiency of GG is 1.5 times that of potassium dihydrogen phosphate . The X-ray diffraction and Fourier transform infrared spectral studies show the presence of strong hydrogen bonds which create and stabilize the crystal structure in GG. The main contributions to the nonlinear optical properties in GG results from the presence of the hydrogen bond and from the vibrational part due to very intense infrared bands of the hydrogen bond vibrations. GG is thermally stable up to 441 K.

Application of irradiated wire

International Nuclear Information System (INIS)

Uda, I.; Kozima, K.; Suzuki, S.; Tada, S.; Torisu, S.; Veno, K.

1984-01-01

Rubber insulated wires are still useful for internal wiring in motor vehicles and electrical equipment because of flexibility and toughness. Irradiated cross-linked rubber materials have been successfully introduced for use with fusible link wire and helically coiled cord

Molecular docking, TG/DTA, molecular structure, harmonic vibrational frequencies, natural bond orbital and TD-DFT analysis of diphenyl carbonate by DFT approach

Science.gov (United States)

Xavier, S.; Periandy, S.; Carthigayan, K.; Sebastian, S.

2016-12-01

Vibrational spectral analysis of Diphenyl Carbonate (DPC) is carried out by using FT-IR and FT-Raman spectroscopic techniques. It is found that all vibrational modes are in the expected region. Gaussian computational calculations were performed using B3LYP method with 6-311++G (d, p) basis set. The computed geometric parameters are in good agreement with XRD data. The observation shows that the structure of the carbonate group is unsymmetrical by ∼5° due to the attachment of the two phenyl rings. The stability of the molecule arising from hyperconjugative interaction and charge delocalization are analyzed by Natural Bond Orbital (NBO) study and the results show the lone pair transition has higher stabilization energy compared to all other. The 1H and 13C NMR chemical shifts are calculated using the Gauge-Including Atomic Orbital (GIAO) method with B3LYP/6-311++G (d, p) method. The chemical shifts computed theoretically go very closer to the experimental results. A study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies and Molecular electrostatic potential (MEP) exhibit the high reactivity nature of the molecule. The non-linear optical property of the DPC molecule predicted theoretically found to be good candidate for NLO material. TG/DTA analysis was made and decomposition of the molecule with respect to the temperature was studied. DPC having the anthelmintic activity is docked in the Hemoglobin of Fasciola hepatica protein. The DPC has been screened to antimicrobial activity and found to exhibit antibacterial effects.

Cryosolution infrared study of hydrogen bonded halothane acetylene complex

Science.gov (United States)

Melikova, S. M.; Rutkowski, K. S.; Rospenk, M.

2018-05-01

The interactions between halothane (2-bromo-2-chloro-1,1,1-trifluoroethane) and acetylene (C2H2) are studied by FTIR spectroscopy. Results obtained in liquid cryosolutions in Kr suggest weak complex formation stabilized by H - bond. The complexation enthalpy (∼11 kJ/mol) is evaluated in a series of temperature measurements (T ∼ 120-160 K) of integrated intensity of selected bands performed in liquefied Kr. The quantum chemical MP2/6-311++G(2d,2p) calculations predict four different structures of the complex. The most stable and populated (94% at T∼120 K) structure corresponds to the H - bond between H atom of halothane and pi-electron of triple bond between C atoms of acetylene. Wave numbers of vibrational bands of the most stable structure are calculated in anharmonic approximation implemented in Gaussian program.

Effect of discrete wires on the implosion dynamics of wire array Z pinches

International Nuclear Information System (INIS)

Lebedev, S. V.; Beg, F. N.; Bland, S. N.; Chittenden, J. P.; Dangor, A. E.; Haines, M. G.; Kwek, K. H.; Pikuz, S. A.; Shelkovenko, T. A.

2001-01-01

A phenomenological model of wire array Z-pinch implosions, based on the analysis of experimental data obtained on the mega-ampere generator for plasma implosion experiments (MAGPIE) generator [I. H. Mitchell , Rev. Sci. Instrum. 67, 1533 (1996)], is described. The data show that during the first ∼80% of the implosion the wire cores remain stationary in their initial positions, while the coronal plasma is continuously jetting from the wire cores to the array axis. This phase ends by the formation of gaps in the wire cores, which occurs due to the nonuniformity of the ablation rate along the wires. The final phase of the implosion starting at this time occurs as a rapid snowplow-like implosion of the radially distributed precursor plasma, previously injected in the interior of the array. The density distribution of the precursor plasma, being peaked on the array axis, could be a key factor providing stability of the wire array implosions operating in the regime of discrete wires. The modified ''initial'' conditions for simulations of wire array Z-pinch implosions with one-dimension (1D) and two-dimensions (2D) in the r--z plane, radiation-magnetohydrodynamic (MHD) codes, and a possible scaling to a larger drive current are discussed

Smart paint sensor for monitoring structural vibrations

International Nuclear Information System (INIS)

Al-Saffar, Y; Baz, A; Aldraihem, O

2012-01-01

A class of smart paint sensors is proposed for monitoring the structural vibration of beams. The sensor is manufactured from an epoxy resin which is mixed with carbon black nano-particles to make it electrically conducting and sensitive to mechanical vibrations. A comprehensive theoretical and experimental investigation is presented to understand the underlying phenomena governing the operation of this class of paint sensors and evaluate its performance characteristics. A theoretical model is presented to model the electromechanical behavior of the sensor system using molecular theory. The model is integrated with an amplifier circuit in order to predict the current and voltage developed by the paint sensor when subjected to loading. Furthermore, the sensor/amplifier circuit models are coupled with a finite element model of a base beam to which the sensor is bonded. The resulting multi-field model is utilized to predict the behavior of both the sensor and the beam when subjected to a wide variety of vibration excitations. The predictions of the multi-field finite element model are validated experimentally and the behavior of the sensor is evaluated both in the time and the frequency domains. The performance of the sensor is compared with the performance of conventional strain gages to emphasize its potential and merits. The presented techniques are currently being extended to sensors that can monitor the vibration and structural power flow of two-dimensional structures. (paper)

Stabilization of axisymmetric liquid bridges through vibration-induced pressure fields.

Science.gov (United States)

Haynes, M; Vega, E J; Herrada, M A; Benilov, E S; Montanero, J M

2018-03-01

Previous theoretical studies have indicated that liquid bridges close to the Plateau-Rayleigh instability limit can be stabilized when the upper supporting disk vibrates at a very high frequency and with a very small amplitude. The major effect of the vibration-induced pressure field is to straighten the liquid bridge free surface to compensate for the deformation caused by gravity. As a consequence, the apparent Bond number decreases and the maximum liquid bridge length increases. In this paper, we show experimentally that this procedure can be used to stabilize millimeter liquid bridges in air under normal gravity conditions. The breakup of vibrated liquid bridges is examined experimentally and compared with that produced in absence of vibration. In addition, we analyze numerically the dynamics of axisymmetric liquid bridges far from the Plateau-Rayleigh instability limit by solving the Navier-Stokes equations. We calculate the eigenfrequencies characterizing the linear oscillation modes of vibrated liquid bridges, and determine their stability limits. The breakup process of a vibrated liquid bridge at that stability limit is simulated too. We find qualitative agreement between the numerical predictions for both the stability limits and the breakup process and their experimental counterparts. Finally, we show the applicability of our technique to control the amount of liquid transferred between two solid surfaces. Copyright © 2017 Elsevier Inc. All rights reserved.

Vibration Damping Via Acoustic Treatment Attached To Vehicle Body Panels

Science.gov (United States)

Gambino, Carlo

Currently, in the automotive industry, the control of noise and vibration is the subject of much research, oriented towards the creation of innovative solutions to improve the comfort of the vehicle and to reduce its cost and weight. This thesis fits into this particular framework, as it aims to investigate the possibility of integrating the functions of sound absorptioninsulation and vibration damping in a unique component. At present the bituminous viscoelastic treatments, which are bonded to the car body panels, take charge of the vibration damping, while the sound absorption and insulation is obtained by means of the poroacoustic treatments. The solution proposed here consists of employing porous materials to perform both these functions, thus allowing the partial or complete removal of the viscoelastic damping treatments from the car body. This should decrease the weight of the vehicle, reducing fuel consumption and emissions, and it might also benefit production costs.

A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method

DEFF Research Database (Denmark)

Kromann, Jimmy Charnley; Christensen, Anders Steen; Svendsen, Casper Steinmann

2014-01-01

We present new dispersion and hydrogen bond corrections to the PM6 method, PM6-D3H+, and its implementation in the GAMESS program. The method combines the DFT-D3 dispersion correction by Grimme et al. with a modified version of the H+ hydrogen bond correction by Korth. Overall, the interaction...... in GAMESS, while the corresponding numbers for PM6-DH+ implemented in MOPAC are 54, 17, 15, and 2. The PM6-D3H+ method as implemented in GAMESS offers an attractive alternative to PM6-DH+ in MOPAC in cases where the LBFGS optimizer must be used and a vibrational analysis is needed, e.g., when computing...... vibrational free energies. While the GAMESS implementation is up to 10 times slower for geometry optimizations of proteins in bulk solvent, compared to MOPAC, it is sufficiently fast to make geometry optimizations of small proteins practically feasible....

Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether

Energy Technology Data Exchange (ETDEWEB)

Boda, Łukasz, E-mail: lboda@chemia.uj.edu.pl; Boczar, Marek; Gług, Maciej; Wójcik, Marek J. [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków (Poland)

2015-11-28

Interaction energies, molecular structure and vibrational frequencies of the binary complex formed between H(D)Cl and dimethyl ether have been obtained using quantum-chemical methods. Equilibrium and vibrationally averaged structures, harmonic and anharmonic wavenumbers of the complex and its deuterated isotopomer were calculated using harmonic and anharmonic second-order perturbation theory procedures with Density Functional Theory B3LYP and B2PLYP-D and ab initio Møller-Plesset second-order methods, and a 6-311++G(3d,3p) basis set. A phenomenological model describing anharmonic-type vibrational couplings within hydrogen bonds was developed to explain the unique broadening and fine structure, as well as the isotope effect of the Cl–H and Cl–D stretching IR absorption bands in the gaseous complexes with dimethyl ether, as an effect of hydrogen bond formation. Simulations of the rovibrational structure of the Cl–H and Cl–D stretching bands were performed and the results were compared with experimental spectra.

Vibrational frequency analysis, FT-IR, DFT and M06-2X studies on tert-Butyl N-(thiophen-2yl)carbamate

Science.gov (United States)

Sert, Yusuf; Singer, L. M.; Findlater, M.; Doğan, Hatice; Çırak, Ç.

2014-07-01

In this study, the experimental and theoretical vibrational frequencies of a newly synthesized tert-Butyl N-(thiophen-2yl)carbamate have been investigated. The experimental FT-IR (4000-400 cm-1) spectrum of the molecule in the solid phase have been recorded. The theoretical vibrational frequencies and optimized geometric parameters (bond lengths and bond angles) have been calculated by using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr) and DFT/M06-2X (the highly parametrized, empirical exchange correlation function) quantum chemical methods with the 6-311++G(d,p) basis set by Gaussian 09W software, for the first time. The vibrational frequencies have been assigned using potential energy distribution (PED) analysis by using VEDA 4 software. The computational optimized geometric parameters and vibrational frequencies have been found to be in good agreement with the corresponding experimental data, and with related literature results. In addition, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energies and the other related molecular energy values have been calculated and are depicted.

Wire core reactor for NTP

International Nuclear Information System (INIS)

Harty, R.B.

1991-01-01

The development of the wire core system for Nuclear Thermal Propulsion (NTP) that took place from 1963 to 1965 is discussed. A wire core consists of a fuel wire with spacer wires. It's an annular flow core having a central control rod. There are actually four of these, with beryllium solid reflectors on both ends and all the way around. Much of the information on the concept is given in viewgraph form. Viewgraphs are presented on design details of the wire core, the engine design, engine weight vs. thrust, a technique used to fabricate the wire fuel element, and axial temperature distribution

Vibrational Analysis of (SCN)2 and the Transient (SCN)2

DEFF Research Database (Denmark)

Jensen, N. H.; Wilbrandt, Robert Walter; Pagsberg, Palle Bjørn

1979-01-01

The vibrational spectra of thiocyanogen and the transient radical anion (SCN)2− are interpreted in detail through molecular orbital and normal coordinate calculations. The results support the assignment of (SCN)2− to the anion of thiocyanogen and indicate a substantial weakening of the S–S and C......≡N bonds in going from the parent molecule to its radical anion....

Water Desalination with Wires

NARCIS (Netherlands)

Porada, S.; Sales, B.B.; Hamelers, H.V.M.; Biesheuvel, P.M.

2012-01-01

We show the significant potential of water desalination using a novel capacitive wire-based technology in which anode/cathode wire pairs are constructed from coating a thin porous carbon electrode layer on top of electrically conducting rods (or wires). By alternately dipping an array of electrode

Towards plant wires

OpenAIRE

Adamatzky, Andrew

2014-01-01

In experimental laboratory studies we evaluate a possibility of making electrical wires from living plants. In scoping experiments we use lettuce seedlings as a prototype model of a plant wire. We approximate an electrical potential transfer function by applying direct current voltage to the lettuce seedlings and recording output voltage. We analyse oscillation frequencies of the output potential and assess noise immunity of the plant wires. Our findings will be used in future designs of self...

Collective vibrational spectra of α- and γ-glycine studied by terahertz and Raman spectroscopy

International Nuclear Information System (INIS)

Shi Yulei; Wang Li

2005-01-01

Terahertz time-domain spectroscopy is used to investigate the absorption and dispersion of polycrystalline α- and γ-glycine in the spectral region 0.5-3.0 THz. The spectra exhibit distinct features in these two crystalline phases. The observed far-infrared responses are attributed to intermolecular vibrational modes mediated by hydrogen bonds. We also measure the Raman spectra of the polycrystalline and dissolved glycine in the frequency range 28-3900 cm -1 . The results show that all the vibrational modes below 200 cm -1 are nonlocalized but are of a collective (phonon-like) nature. Furthermore, the temperature dependence of the Raman spectra of α-glycine agrees with the anharmonicity mechanism of the vibrational potentials

Density functional study of the bonding in small silicon clusters

International Nuclear Information System (INIS)

Fournier, R.; Sinnott, S.B.; DePristo, A.E.

1992-01-01

We report the ground electronic state, equilibrium geometry, vibrational frequencies, and binding energy for various isomers of Si n (n = 2--8) obtained with the linear combination of atomic orbitals-density functional method. We used both a local density approximation approach and one with gradient corrections. Our local density approximation results concerning the relative stability of electronic states and isomers are in agreement with Hartree--Fock and Moller--Plesset (MP2) calculations [K. Raghavachari and C. M. Rohlfing, J. Chem. Phys. 89, 2219 (1988)]. The binding energies calculated with the gradient corrected functional are in good agreement with experiment (Si 2 and Si 3 ) and with the best theoretical estimates. Our analysis of the bonding reveals two limiting modes of bonding and classes of silicon clusters. One class of clusters is characterized by relatively large s atomic populations and a large number of weak bonds, while the other class of clusters is characterized by relatively small s atomic populations and a small number of strong bonds

Recrystallization texture in nickel heavily deformed by accumulative roll bonding

Science.gov (United States)

Mishin, O. V.; Zhang, Y. B.; Godfrey, A.

2017-07-01

The recrystallization behavior of Ni processed by accumulative roll bonding to a total accumulated von Mises strain of 4.8 has been examined, and analyzed with respect to heterogeneity in the deformation microstructure. The regions near the bonding interface are found to be more refined and contain particle deformation zones around fragments of the steel wire brush used to prepare the surface for bonding. Sample-scale gradients are also observed, manifested as differences between the subsurface, intermediate and central layers, where the distributions of texture components are different. These heterogeneities affect the progress of recrystallization. While the subsurface and near-interface regions typically contain lower frequencies of cube-oriented grains than anywhere else in the sample, a strong cube texture forms in the sample during recrystallization, attributed to both a high nucleation rate and fast growth rate of cube-oriented grains. The observations highlight the sensitivity of recrystallization to heterogeneity in the deformation microstructure and demonstrate the importance of characterizing this heterogeneity over several length scales.

The use of a neodymium-iron-boron magnet device for positioning a multi-stranded wire retainer in lingual retention--a pilot study in humans.

Science.gov (United States)

Hahn, Wolfram; Fricke, Julia; Fricke-Zech, Susanne; Zapf, Antonia; Gruber, Rudolf; Sadat-Khonsari, Reza

2008-10-01

The aim of this study was to evaluate the time requirement of a newly developed device made of neodymium-iron-boron (NdFeB) magnets for positioning a multi-stranded, canine-to-canine retainer during bonding compared with dental floss and a transfer tray. Forty-five patients aged between 12 and 33 years (26 male, 19 female) previously treated with fixed appliances were enrolled in the study. The patients were randomly allocated to three groups (15 per group). For each group a mandibular canine-to-canine retainer of 0.018 inch Dentaflex multi-stranded wire (Dentaurum) was prefabricated for each patient on a cast. The bonding procedure was identical, except for the method of positioning the wire during adhesive fixation: group A dental floss, group B a small prefabricated transfer tray of dental resin and group C the NdFeB magnet device. For each group, the time required for the complete bonding process was measured. Kruskal-Wallis and Wilcoxon-Mann-Whitney tests were used for group and pairwise comparisons, respectively. The three methods required statistically significant different times (P NdFeB magnet device is a timesaving appliance for positioning a multi-stranded, canine-to-canine retainer during bonding when compared with dental floss and an individually prefabricated transfer tray.

Evolution of cementite morphology in pearlitic steel wire during wet wire drawing

DEFF Research Database (Denmark)

Zhang, Xiaodan; Godfrey, Andrew; Hansen, Niels

2010-01-01

The evolution of the cementite phase during wet wire drawing of a pearlitic steel wire has been followed as a function of strain. Particular attention has been given to a quantitative characterization of changes in the alignment and in the dimensions of the cementite phase. Scanning electron...... microscope observations show that cementite plates become increasingly aligned with the wire axis as the drawing strain is increased. Measurements in the transmission electron microscope show that the cementite deforms plastically during wire drawing , with the average thickness of the cementite plates...... decreasing from 19 nm (ε = 0) to 2 nm (ε = 3.7) in correspondence with the reduction in wire diameter. The deformation of the cementite is strongly related to plastic deformation in the ferrite, with coarse slip steps, shear bands and cracks in the cementite plates/particles observed parallel to either {110...

Simple Program to Investigate Hysteresis Damping Effect of Cross-Ties on Cables Vibration of Cable-Stayed Bridges

Directory of Open Access Journals (Sweden)

Panagis G. Papadopoulos

2012-01-01

Full Text Available A short computer program, fully documented, is presented, for the step-by-step dynamic analysis of isolated cables or couples of parallel cables of a cable-stayed bridge, connected to each other and possibly with the deck of the bridge, by very thin pretensioned wires (cross-ties and subjected to variation of their axial forces due to traffic or to successive pulses of a wind drag force. A simplified SDOF model, approximating the fundamental vibration mode, is adopted for every individual cable. The geometric nonlinearity of the cables is taken into account by their geometric stiffness, whereas the material nonlinearities of the cross-ties include compressive loosening, tensile yielding, and hysteresis stress-strain loops. Seven numerical experiments are performed. Based on them, it is observed that if two interconnected parallel cables have different dynamic characteristics, for example different lengths, thus different masses, weights, and geometric stiffnesses, too, or if one of them has a small additional mass, then a single pretensioned very thin wire, connecting them to each other and possibly with the deck of the bridge, proves effective in suppressing, by its hysteresis damping, the vibrations of the cables.

Hydrogen bonding interactions between ethylene glycol and water: density, excess molar volume, and spectral study

Institute of Scientific and Technical Information of China (English)

ZHANG JianBin; ZHANG PengYan; MA Kai; HAN Fang; CHEN GuoHua; WEI XiongHui

2008-01-01

Studies of the density and the excess molar volume of ethylene glycol (EG)-water mixtures were carried out to illustrate the hydrogen bonding interactions of EG with water at different temperatures, The re-sults suggest that a likely complex of 3 ethylene glycol molecules bonding with 4 water molecules in an ethylene glycol-water mixture (EGW) is formed at the maximal excess molar volume, which displays stronger absorption capabilities for SO2 when the concentration of SO2 reaches 400×106 (volume ratio) in the gas phase. Meanwhile, FTIR and UV spectra of EGWs were recorded at various EG concentra-tions to display the hydrogen bonding interactions of EG with water. The FTIR spectra show that the stretching vibrational band of hydroxyl in the EGWs shifts to a lower frequency and the bending vibra-tional band of water shifts to a higher frequency with increasing the EG concentration, respectively. Furthermore, the UV spectra show that the electron transferring band of the hydroxyl oxygen in EG shows red shift with increasing the EG concentration. The frequency shifts in FTIR spectra and the shifts of absorption bands in UV absorption spectra of EGWs are interpreted as the strong hydrogen bonding interactions of the hydrogen atoms in water with the hydroxyl oxygen atoms of EG.

Hydrogen bonding interactions between ethylene glycol and water:density,excess molar volume,and spectral study

Institute of Scientific and Technical Information of China (English)

2008-01-01

Studies of the density and the excess molar volume of ethylene glycol (EG)-water mixtures were carried out to illustrate the hydrogen bonding interactions of EG with water at different temperatures. The re-sults suggest that a likely complex of 3 ethylene glycol molecules bonding with 4 water molecules in an ethylene glycol-water mixture (EGW) is formed at the maximal excess molar volume,which displays stronger absorption capabilities for SO2 when the concentration of SO2 reaches 400×10?6 (volume ratio) in the gas phase. Meanwhile,FTIR and UV spectra of EGWs were recorded at various EG concentra-tions to display the hydrogen bonding interactions of EG with water. The FTIR spectra show that the stretching vibrational band of hydroxyl in the EGWs shifts to a lower frequency and the bending vibra-tional band of water shifts to a higher frequency with increasing the EG concentration,respectively. Furthermore,the UV spectra show that the electron transferring band of the hydroxyl oxygen in EG shows red shift with increasing the EG concentration. The frequency shifts in FTIR spectra and the shifts of absorption bands in UV absorption spectra of EGWs are interpreted as the strong hydrogen bonding interactions of the hydrogen atoms in water with the hydroxyl oxygen atoms of EG.

Nonplanar tertiary amides in rigid chiral tricyclic dilactams. Peptide group distortions and vibrational optical activity.

Science.gov (United States)

Pazderková, Markéta; Profant, Václav; Hodačová, Jana; Sebestík, Jaroslav; Pazderka, Tomáš; Novotná, Pavlína; Urbanová, Marie; Safařík, Martin; Buděšínský, Miloš; Tichý, Miloš; Bednárová, Lucie; Baumruk, Vladimír; Maloň, Petr

2013-08-22

We investigate amide nonplanarity in vibrational optical activity (VOA) spectra of tricyclic spirodilactams 5,8-diazatricyclo[6,3,0,0(1,5)]undecan-4,9-dione (I) and its 6,6',7,7'-tetradeuterio derivative (II). These rigid molecules constrain amide groups to nonplanar geometries with twisted pyramidal arrangements of bonds to amide nitrogen atoms. We have collected a full range vibrational circular dichroism (VCD) and Raman optical activity (ROA) spectra including signals of C-H and C-D stretching vibrations. We report normal-mode analysis and a comparison of calculated to experimental VCD and ROA. The data provide band-to-band assignment and offer a possibility to evaluate roles of constrained nonplanar tertiary amide groups and rigid chiral skeletons. Nonplanarity shows as single-signed VCD and ROA amide I signals, prevailing the couplets expected to arise from the amide-amide interaction. Amide-amide coupling dominates amide II (mainly C'-N stretching, modified in tertiary amides by the absence of a N-H bond) transitions (strong couplet in VCD, no significant ROA) probably due to the close proximity of amide nitrogen atoms. At lower wavenumbers, ROA spectra exhibit another likely manifestation of amide nonplanarity, showing signals of amide V (δ(oop)(N-C) at ~570 cm(-1)) and amide VI (δ(oop)(C'═O) at ~700 cm(-1) and ~650 cm(-1)) vibrations.

Quantum chemical study of agonist-receptor vibrational interactions for activation of the glutamate receptor.

Science.gov (United States)

Kubo, M; Odai, K; Sugimoto, T; Ito, E

2001-06-01

To understand the mechanism of activation of a receptor by its agonist, the excitation and relaxation processes of the vibrational states of the receptor should be examined. As a first approach to this problem, we calculated the normal vibrational modes of agonists (glutamate and kainate) and an antagonist (6-cyano-7-nitroquinoxaline-2,3-dione: CNQX) of the glutamate receptor, and then investigated the vibrational interactions between kainate and the binding site of glutamate receptor subunit GluR2 by use of a semiempirical molecular orbital method (MOPAC2000-PM3). We found that two local vibrational modes of kainate, which were also observed in glutamate but not in CNQX, interacted through hydrogen bonds with the vibrational modes of GluR2: (i) the bending vibration of the amine group of kainate, interacting with the stretching vibration of the carboxyl group of Glu705 of GluR2, and (ii) the symmetric stretching vibration of the carboxyl group of kainate, interacting with the bending vibration of the guanidinium group of Arg485. We also found collective modes with low frequency at the binding site of GluR2 in the kainate-bound state. The vibrational energy supplied by an agonist may flow from the high-frequency local modes to the low-frequency collective modes in a receptor, resulting in receptor activation.

Tunable smart digital structure (SDS) to modularly assemble soft actuators with layered adhesive bonding

Science.gov (United States)

Jin, Hu; Dong, Erbao; Xu, Min; Xia, Qirong; Liu, Shuai; Li, Weihua; Yang, Jie

2018-01-01

Many shape memory alloy (SMA)-based soft actuators have specific composite structures and manufacture processes, and are therefore unique. However, these exclusive characteristics limit their capabilities and applications, so in this article a soft and smart digital structure (SDS) is proposed that acts like a modular unit to assemble soft actuators by a layered adhesive bonding process. The SDS is a fully soft structure that encapsulates a digital skeleton consisting of four groups of parallel and independently actuated SMA wires capable of outputting a four-channel tunable force. The layered adhesive bonding process modularly bonds several SDSs with an elastic backbone to fabricate a layered soft actuator where the elastic backbone is used to recover the SDSs in a cooling process using the SMA wires. Two kinds of SDS-based soft actuators were modularly assembled, an actuator, SDS-I, with a two-dimensional reciprocal motion, and an actuator, SDS-II, capable of bi-directional reciprocal motion. The thermodynamics and phase transformation modeling of the SDS-based actuator were analyzed. Several extensional soft actuators were also assembled by bonding the SDS with an anomalous elastic backbone or modularly assembling the SDS-Is and SDS-IIs. These modularly assembled soft actuators delivered more output channels and a complicated motion, e.g., an actinomorphic soft actuator with four SDS-Is jumps in a series of hierarchical heights and directional movement by tuning the input channels of the SDSs. This result showed that the SDS can modularly assemble multifarious soft actuators with diverse capabilities, steerability and tunable outputs.

Bending of conjugated molecular wires and its effect on electron conduction properties

International Nuclear Information System (INIS)

Das, Bidisa

2010-01-01

The electronic structure and electron transport properties of simple conjugated molecular wires like oligophenylene ethynylene (OPE) and oligophenylene vinylene (OPV) are studied under compression. If artificially confined to a given shorter length, the oligomers tend to bend and bending causes a loss in the overlap of the conjugated molecular orbitals. Theoretical modeling of electronic transport has been carried out for all undistorted and compressed OPE/OPV oligomers. OPV exists in step-like or V-like conformations and they have the same stability with very similar frontier molecular orbitals. The conductances of these molecular wires are calculated when inserted between two gold probes and the conductances for OPV are found to be comparable to OPE when the interfaces are same. The conductance decreases with bending due to the gradual loss in overlap of the molecular orbitals. It is also found that the conductances of the molecular wires decrease very strongly if the terminal sulfur atom is simultaneously bonded to hydrogen and a gold surface, thus reflecting the importance of the interface in determining the conductance in two-probe systems. From the conductance studies it may be concluded that if one or more benzene rings of OPE are rotated from coplanar conditions, the orthogonal molecular orbitals may completely block the electronic transport, rendering the molecule insulating.

Vibrational Spectroscopy of Chemical Species in Silicon and Silicon-Rich Nitride Thin Films

Directory of Open Access Journals (Sweden)

Kirill O. Bugaev

2012-01-01

Full Text Available Vibrational properties of hydrogenated silicon-rich nitride (SiN:H of various stoichiometry (0.6≤≤1.3 and hydrogenated amorphous silicon (a-Si:H films were studied using Raman spectroscopy and Fourier transform infrared spectroscopy. Furnace annealing during 5 hours in Ar ambient at 1130∘C and pulse laser annealing were applied to modify the structure of films. Surprisingly, after annealing with such high-thermal budget, according to the FTIR data, the nearly stoichiometric silicon nitride film contains hydrogen in the form of Si–H bonds. From analysis of the FTIR data of the Si–N bond vibrations, one can conclude that silicon nitride is partly crystallized. According to the Raman data a-Si:H films with hydrogen concentration 15% and lower contain mainly Si–H chemical species, and films with hydrogen concentration 30–35% contain mainly Si–H2 chemical species. Nanosecond pulse laser treatments lead to crystallization of the films and its dehydrogenization.

Isotope dependent, temperature regulated, energy repartitioning in a low-barrier, short-strong hydrogen bonded cluster

NARCIS (Netherlands)

Li, X. H.; Oomens, J.; Eyler, J. R.; Moore, D. T.; Iyengar, S. S.

2010-01-01

We investigate and analyze the vibrational properties, including hydrogen/deuterium isotope effects, in a fundamental organic hydrogen bonded system using multiple experimental (infrared multiple photon dissociation and argon-tagged action spectroscopy) and computational techniques. We note a

N-propyl nitrate vibrational spectrum analysis using DFT B3LYP quantum-chemical method

Science.gov (United States)

Shaikhullina, R. M.; Hrapkovsky, G. M.; Shaikhullina, M. M.

2018-05-01

Calculation of a molecular structure, conformation and related vibrational spectra of the n- propyl nitrate C3H7NO3 was carried out by means of density functional theory (DFT) by employing the Gaussian 03 package. The molecular geometries were fully optimized by using the Becker's three-parameter hybrid exchange functional combined with the Lee–Yang–Parr correlation functional (B3LYP) and using the 6-31G(d) basis set. By scanning the dihedral angles around C-O and C-C bonds, five energetically most favorable conformers of n-propyl nitrate - TG, TT, GT, GG and G´G forms were found. Vibrational spectra of the most energetically favorable conformers were calculated. The comparative analysis of calculated and experimental spectra is carried out, the spectral features of the conformational state of n-propyl nitrate and the spectral effects of formation of intramolecular hydrogen bonds are established.

Two-dimensional vibrational spectroscopy of the amide I band of crystalline acetanilide: Fermi resonance, conformational substates, or vibrational self-trapping?

Science.gov (United States)

Edler, J.; Hamm, P.

2003-08-01

Two-dimensional infrared (2D-IR) spectroscopy is applied to investigate acetanilide, a molecular crystal consisting of quasi-one-dimensional hydrogen bonded peptide units. The amide-I band exhibits a double peak structure, which has been attributed to different mechanisms including vibrational self-trapping, a Fermi resonance, or the existence of two conformational substates. The 2D-IR spectrum of crystalline acetanilide is compared with that of two different molecular systems: (i) benzoylchloride, which exhibits a strong symmetric Fermi resonance and (ii) N-methylacetamide dissolved in methanol which occurs in two spectroscopically distinguishable conformations. Both 2D-IR spectra differ significantly from that of crystalline acetanilide, proving that these two alternative mechanisms cannot account for the anomalous spectroscopy of crystalline acetanilide. On the other hand, vibrational self-trapping of the amide-I band can naturally explain the 2D-IR response.

Using wire shaping techniques and holographic optics to optimize deposition characteristics in wire-based laser cladding.

Science.gov (United States)

Goffin, N J; Higginson, R L; Tyrer, J R

2016-12-01

In laser cladding, the potential benefits of wire feeding are considerable. Typical problems with the use of powder, such as gas entrapment, sub-100% material density and low deposition rate are all avoided with the use of wire. However, the use of a powder-based source material is the industry standard, with wire-based deposition generally regarded as an academic curiosity. This is because, although wire-based methods have been shown to be capable of superior quality results, the wire-based process is more difficult to control. In this work, the potential for wire shaping techniques, combined with existing holographic optical element knowledge, is investigated in order to further improve the processing characteristics. Experiments with pre-placed wire showed the ability of shaped wire to provide uniformity of wire melting compared with standard round wire, giving reduced power density requirements and superior control of clad track dilution. When feeding with flat wire, the resulting clad tracks showed a greater level of quality consistency and became less sensitive to alterations in processing conditions. In addition, a 22% increase in deposition rate was achieved. Stacking of multiple layers demonstrated the ability to create fully dense, three-dimensional structures, with directional metallurgical grain growth and uniform chemical structure.

Effect of Pd Surface Roughness on the Bonding Process and High Temperature Reliability of Au Ball Bonds

Science.gov (United States)

Huang, Y.; Kim, H. J.; McCracken, M.; Viswanathan, G.; Pon, F.; Mayer, M.; Zhou, Y. N.

2011-06-01

A 0.3- μm-thick electrolytic Pd layer was plated on 1 μm of electroless Ni on 1 mm-thick polished and roughened Cu substrates with roughness values ( R a) of 0.08 μm and 0.5 μm, respectively. The rough substrates were produced with sand-blasting. Au wire bonding on the Ni/Pd surface was optimized, and the electrical reliability was investigated under a high temperature storage test (HTST) during 800 h at 250°C by measuring the ball bond contact resistance, R c. The average value of R c of optimized ball bonds on the rough substrate was 1.96 mΩ which was about 40.0% higher than that on the smooth substrate. The initial bondability increased for the rougher surface, so that only half of the original ultrasonic level was required, but the reliability was not affected by surface roughness. For both substrate types, HTST caused bond healing, reducing the average R c by about 21% and 27%, respectively. Au diffusion into the Pd layer was observed in scanning transmission electron microscopy/ energy dispersive spectroscopy (STEM-EDS) line-scan analysis after HTST. It is considered that diffusion of Au or interdiffusion between Au and Pd can provide chemically strong bonding during HTST. This is supported by the R c decrease measured as the aging time increased. Cu migration was indicated in the STEM-EDS analysis, but its effect on reliability can be ignored. Au and Pd tend to form a complete solid solution at the interface and can provide reliable interconnection for high temperature (250°C) applications.

Evolution of cementite morphology in pearlitic steel wire during wet wire drawing

International Nuclear Information System (INIS)

Zhang Xiaodan; Godfrey, Andrew; Hansen, Niels; Huang Xiaoxu; Liu Wei; Liu Qing

2010-01-01

The evolution of the cementite phase during wet wire drawing of a pearlitic steel wire has been followed as a function of strain. Particular attention has been given to a quantitative characterization of changes in the alignment and in the dimensions of the cementite phase. Scanning electron microscope observations show that cementite plates become increasingly aligned with the wire axis as the drawing strain is increased. Measurements in the transmission electron microscope show that the cementite deforms plastically during wire drawing , with the average thickness of the cementite plates decreasing from 19 nm (ε = 0) to 2 nm (ε = 3.7) in correspondence with the reduction in wire diameter. The deformation of the cementite is strongly related to plastic deformation in the ferrite, with coarse slip steps, shear bands and cracks in the cementite plates/particles observed parallel to either {110} α or {112} α slip plane traces in the ferrite.

The pseudohydrogen bond structures between 2-F-epoxy-butane and three kinds of bimolecular

International Nuclear Information System (INIS)

Liu Yanzhi; Yuan Kun; Lu Lingling; Zhu Yuancheng; Dong Xiaoning

2012-01-01

The weak intermolecular interactions between 2-F-epoxy-butane and Iminazole, Thiazole and Oxazole were theoretically discussed by using density functional B3LYP (Becke, three-parameter, Lee- Yang-Parr)/6-311++G ** and HF (Hartree Fock)/6-311++G ** methods. The results showed that both the N…H conventional hydrogen bond and C-F…H-C pseudohydrogen bond (PHB) structures are coexisting in the three complexes. The weak intermolecular interactions energies indicate the relative stabilities of the three complexes are proportionable. The calculated results showed that the stretch vibrational frequency of C-H bond (electronic acceptor) presents blue shift, but that of C-F bond, which is intensely related to F group (electronic donor), presents red shift. Electron density topological properties demonstrates that the covalent and ionic characteristics of the C-F…H-C pseudohydrogen bond are proportional to that of convention hydrogen bond. (authors)

Corrosion of Wires on Wooden Wire-Bound Packaging Crates

Science.gov (United States)

Samuel L. Zelinka; Stan Lebow

2015-01-01

Wire-bound packaging crates are used by the US Army to transport materials. Because these crates may be exposed to harsh environments, they are dip-treated with a wood preservative (biocide treatment). For many years, zinc-naphthenate was the most commonly used preservative for these packaging crates and few corrosion problems with the wires were observed. Recently,...

Raman spectroscopic determination of the length, strength, compressibility, Debye temperature, elasticity, and force constant of the C-C bond in graphene.

Science.gov (United States)

Yang, X X; Li, J W; Zhou, Z F; Wang, Y; Yang, L W; Zheng, W T; Sun, Chang Q

2012-01-21

From the perspective of bond relaxation and bond vibration, we have formulated the Raman phonon relaxation of graphene, under the stimuli of the number-of-layers, the uni-axial strain, the pressure, and the temperature, in terms of the response of the length and strength of the representative bond of the entire specimen to the applied stimuli. Theoretical unification of the measurements clarifies that: (i) the opposite trends of the Raman shifts, which are due to the number-of-layers reduction, of the G-peak shift and arises from the vibration of a pair of atoms, while the D- and the 2D-peak shifts involve the z-neighbor of a specific atom; (ii) the tensile strain-induced phonon softening and phonon-band splitting arise from the asymmetric response of the C(3v) bond geometry to the C(2v) uni-axial bond elongation; (iii) the thermal softening of the phonons originates from bond expansion and weakening; and (iv) the pressure stiffening of the phonons results from bond compression and work hardening. Reproduction of the measurements has led to quantitative information about the referential frequencies from which the Raman frequencies shift as well as the length, energy, force constant, Debye temperature, compressibility and elastic modulus of the C-C bond in graphene, which is of instrumental importance in the understanding of the unusual behavior of graphene.

Compressive and bending behavior of sandwich panels with Octet truss core fabricated from wires

International Nuclear Information System (INIS)

Lim, Ji Hyun; Nah, Seong Jun; Kang, Ki Ju; Koo, Man Hoe

2005-01-01

Ultra light metal structures have been studied for several years because of their superior specific stiffness, strength and potential of multi functions. Many studies have been focused on how to manufacture ultra light metal structures and optimize them. In this study, we introduced a new idea to make sandwich panels having Octet truss cores. Wires bent in a shape of triangular wave were assembled to construct an Octet truss core and it was bonded with two face sheets to be a sandwich panel. The bending and compressive strength and stiffness were estimated through elementary mechanics for the sandwich specimens with two kinds of face sheets and the results were compared with the ones measured by experiments. Some aspects of assembling and mechanical behavior were discussed compared with Kagome core fabricated from wire, which had been introduced in the authors' previous work

Influence of methoxy- and nitro-substitutions in the aromatic ring on proton donation ability in hydrogen bond and on the amino group parameters of free and H-bonded molecules of 2-aminopyrimidine

Science.gov (United States)

Borisenko, V. E.; Krekov, S. A.; Fomenko, M. Yu.; Koll, A.; Lipkovski, P.

2008-06-01

Amino- and imino- forms of pyrimidine are widely presented as part of antibiotics, corrective medications for heart failures and metabolic stimulators. Hydrogen bonding is one of the fundamental interactions between biologically active molecules. This type of interactions provides flexibility, speed and variety of the biochemical processes. Proton donation properties of aminopyrimidines significantly depend on the position, number and kind of the substituent in its aromatic ring. In present work we studied the influence of the methoxy- and nitro-substitutions in the phenyl radical of pyridine and pyrimidine cycles on the proton donation ability of the amino group in hydrogen bonds as well as on its geometrical, force, electro-optical and thermodynamical characteristics in free and H-bonded (1:1 and 1:2, with various proton acceptors) molecules of primary aromatic amines. Acetonitrile, dioxane, tetrahydrofourane, dimethylformamide, dimethylsulfoxide and hexamethylphosphoramide (whose proton accepting properties vary within a wide range) were used as proton acceptors in our research. In the region of the amino group stretching and deformation vibrations the IR spectra of free and H-bonded (1:1) molecules of 2-amino-4,6-dimethoxy- and 2-amino-5-nitropyrimidine were studied in complexes with proton acceptors in CCl 4 within the temperature range 288-328 K. The spectra of 1:2 complexes were studied in undiluted aprotic solvents. The following spectral characteristics of absorption bands in amino group stretching vibrations were determined: M(0) (zero spectral moment, integrated intensity B); M(1) (first spectral moment, band "centre of gravity"); effective half width, related to the second central moment (Δ ν1/2) eff = 2( M(2)) 1/2, frequencies of the deformation vibrations δ(HNH) of free and H-bonded molecules. It was shown that changes of the absorption band spectral characteristics of the amino group stretching and deformation vibrations in the analyzed

Collision dynamics of methyl radicals and highly vibrationally excited molecules using crossed molecular beams

International Nuclear Information System (INIS)

Chu, P.M.Y.

1991-10-01

The vibrational to translational (V→T) energy transfer in collisions between large highly vibrationally excited polyatomics and rare gases was investigated by time-of-flight techniques. Two different methods, UV excitation followed by intemal conversion and infrared multiphoton excitation (IRMPE), were used to form vibrationally excited molecular beams of hexafluorobenzene and sulfur hexafluoride, respectively. The product translational energy was found to be independent of the vibrational excitation. These results indicate that the probability distribution function for V→T energy transfer is peaked at zero. The collisional relaxation of large polyatomic molecules with rare gases most likely occurs through a rotationally mediated process. Photodissociation of nitrobenzene in a molecular beam was studied at 266 nm. Two primary dissociation channels were identified including simple bond rupture to produce nitrogen dioxide and phenyl radical and isomerization to form nitric oxide and phenoxy radical. The time-of-flight spectra indicate that simple bond rupture and isomerization occurs via two different mechanisms. Secondary dissociation of the phenoxy radicals to carbon monoxide and cyclopentadienyl radicals was observed as well as secondary photodissociation of phenyl radical to give H atom and benzyne. A supersonic methyl radical beam source is developed. The beam source configuration and conditions were optimized for CH 3 production from the thermal decomposition of azomethane. Elastic scattering of methyl radical and neon was used to differentiate between the methyl radicals and the residual azomethane in the molecular beam

Orthodontic bracket bonding to glazed full-contour zirconia

Directory of Open Access Journals (Sweden)

Ji-Young Kwak

2016-05-01

Full Text Available Objectives This study evaluated the effects of different surface conditioning methods on the bond strength of orthodontic brackets to glazed full-zirconia surfaces. Materials and Methods Glazed zirconia (except for the control, Zirkonzahn Prettau disc surfaces were pre-treated: PO (control, polishing; BR, bur roughening; PP, cleaning with a prophy cup and pumice; HF, hydrofluoric acid etching; AA, air abrasion with aluminum oxide; CJ, CoJet-Sand. The surfaces were examined using profilometry, scanning electron microscopy, and electron dispersive spectroscopy. A zirconia primer (Z-Prime Plus, Z or a silane primer (Monobond-S, S was then applied to the surfaces, yielding 7 groups (PO-Z, BR-Z, PP-S, HF-S, AA-S, AA-Z, and CJ-S. Metal bracket-bonded specimens were stored in water for 24 hr at 37℃, and thermocycled for 1,000 cycles. Their bond strengths were measured using the wire loop method (n = 10. Results Except for BR, the surface pre-treatments failed to expose the zirconia substructure. A significant difference in bond strengths was found between AA-Z (4.60 ± 1.08 MPa and all other groups (13.38 ± 2.57 - 15.78 ± 2.39 MPa, p < 0.05. For AA-Z, most of the adhesive remained on the bracket. Conclusions For bracket bonding to glazed zirconia, a simple application of silane to the cleaned surface is recommended. A zirconia primer should be used only when the zirconia substructure is definitely exposed.

Experimental and theoretical studies on the structural, spectroscopic and hydrogen bonding on 4-nitro-n-(2,4-dinitrophenyl) benzenamine

Science.gov (United States)

Subhapriya, G.; Kalyanaraman, S.; Jeyachandran, M.; Ragavendran, V.; Krishnakumar, V.

2018-04-01

Synthesized 4-nitro-N-(2,4-dinitrophenyl) benzenamine (NDPBA) molecule was confirmed applying the tool of NMR. Theoretical prediction addressed the NMR chemical shifts and correlated well with the experimental data. The molecule subjected to theoretical DFT at 6-311++G** level unraveled the spectroscopic and structural properties of the NDPBA molecule. Moreover the structural features proved the occurrence of intramolecular Nsbnd H· · O hydrogen bonding in the molecule which was further confirmed with the help of Frontier molecular orbital analysis. Vibrational spectroscopic characterization through FT-IR and Raman experimentally and theoretically gave an account for the vibrational properties. An illustration of the topology of the molecule theoretically helped also in finding the hydrogen bonding energy.

Concerning the problem of polygraphic wire calculation: theoretical aspects, software, practical implementation

Directory of Open Access Journals (Sweden)

Selkina A. V.

2016-05-01

Full Text Available the article analyzes the problems arising while organizing the workflow in printing companies. We suggest to address these problems by means of implementing computer-based accounting systems. Online and offline calculators used by printing enterprises for accounting are discussed. The author outlined the functional and specified requirements to such software. They were considered in the calculation module of accounting polygraphic wire used for block bonding. The software allows to increase the calculation process speed, to reduce the amount of errors in calculation and to decrease the labour intensity of the accounting process.

Forming Refractory Insulation On Copper Wire

Science.gov (United States)

Setlock, J.; Roberts, G.

1995-01-01

Alternative insulating process forms flexible coat of uncured refractory insulating material on copper wire. Coated wire formed into coil or other complex shape. Wire-coating apparatus forms "green" coat on copper wire. After wire coiled, heating converts "green" coat to refractory electrical insulator. When cured to final brittle form, insulating material withstands temperatures above melting temperature of wire. Process used to make coils for motors, solenoids, and other electrical devices to be operated at high temperatures.

Investigation of energy losses in low-coercivity resin-bonded magnets in alternating magnetic fields

Science.gov (United States)

Milov, E. V.; Sipin, I. A.; Milov, V. N.; Andreenko, A. S.; Balan, I. A.

2017-01-01

Energy losses during alternating remagnetization of low-coercitivity resin-bonded magnets and commercially produced electrical steels were studied experimentally. The studies were conducted on several samples of resin-bonded magnets with different manufacturing technologies and samples of electrical steel sheets of various thicknesses. The static and dynamic magnetic properties of the samples were measured on a vibration magnetometer and a specially designed apparatus, respectively. It was found that the studied samples of bonded magnets have a relatively high level of hysteresis losses associated with high coercivity, which reaches a value of 4-5 Oe. At the same time, the remagnetization losses due to the Foucault currents in the bonded magnets are considerably lower than in electrical steels. The measurement results show that bonded magnets at high frequencies of remagnetization, especially in high-rpm motors, can be competitive in comparison with electrical steels.

Wire chambers: Trends and alternatives

Energy Technology Data Exchange (ETDEWEB)

Regler, Meinhard

1992-05-15

The subtitle of this year's Vienna Wire Chamber Conference - 'Recent Trends and Alternative Techniques' - signalled that it covered a wide range of science and technology. While an opening Vienna talk by wire chamber pioneer Georges Charpak many years ago began 'Les funerailles des chambres a fils (the burial of wire chambers)', the contrary feeling this year was that wire chambers are very much alive!.

Mechanisms of convective and boiling heat transfer enhancement via ultrasonic vibration

International Nuclear Information System (INIS)

Kim, Yi Gu; Kim, Ho Young; Kang, Seoung Min; Kang, Byung Ha; Lee, Jin Ho

2003-01-01

This work experimentally studies the fundamental mechanisms by which the ultrasonic vibration enhances convection and pool boiling heat transfer. A thin platinum wire is used as both a heat source and a temperature sensor. A high speed video imaging system is employed to observe the behavior of cavitation and thermal bubbles. It is found that when the liquid temperature is below its boiling point, cavitation takes place due to ultrasonic vibration while cavitation disappears when the liquid reaches the boiling point. Moreover, when the gas dissolved in liquid is removed by pre-degassing, the cavitation arises only locally. Depending on the liquid temperature, heat transfer rates in convection, subcooled boiling and saturated boiling regimes are examined. In convection heat transfer regime, fully agitated cavitation is the most efficient heat transfer enhancement mechanism. Subcooled boiling is most enhanced when the local cavitation is induced after degassing. In saturated boiling regime, acoustic pressure is shown to be a dominant heat transfer enhancement mechanism

Analysis of Different Positions of Fiber-Reinforced Composite Retainers versus Multistrand Wire Retainers Using the Finite Element Method

Directory of Open Access Journals (Sweden)

Arezoo Jahanbin

2014-01-01

Full Text Available Background. The aim of this study was to evaluate root displacement of the lower incisors fixed with FRC in different positions versus FSW retainers using the finite element method. Materials and Methods. 3D finite element models were designed for a mandibular anterior segment: Model 1: flexible spiral wire bonded to the lingual teeth surfaces, Model 2: FRC bonded to the upper third of lingual teeth surfaces, and Model 3: FRC bonded to the middle third. FE analysis was performed for three models and then tooth displacements were evaluated. Results. In contrast to lateral incisors and canines, the FSW retainer caused the central teeth to move more than the teeth bonded with FRC in both loadings. Comparison between Models 2 and 3 (in vertical loading showed that FRC retainers that bonded at the upper third of lingual teeth surfaces made central and canine teeth move less than FRC retainers bonded at the middle third; however, for lateral teeth it was the opposite. Conclusion. FRC retainers bonded at the upper third of lingual teeth surfaces make central and canine teeth move less than FRC retainers bonded at the middle third in vertical loading; however, for lateral teeth it was the opposite.

Review of wire chamber aging

International Nuclear Information System (INIS)

Va'Vra, J.

1986-02-01

This paper makes an overview of the wire chamber aging problems as a function of various chamber design parameters. It emphasizes the chemistry point of view and many examples are drawn from the plasma chemistry field as a guidance for a possible effort in the wire chamber field. The paper emphasizes the necessity of variable tuning, the importance of purity of the wire chamber environment, as well as it provides a practical list of presently known recommendations. In addition, several models of the wire chamber aging are qualitatively discussed. The paper is based on a summary talk given at the Wire Chamber Aging Workshop held at LBL, Berkeley on January 16-17, 1986. Presented also at Wire Chamber Conference, Vienna, February 25-28, 1986. 74 refs., 18 figs., 11 tabs

Relationship of the vibrational frequency of the uranyl ion with the uranium electronegativity

International Nuclear Information System (INIS)

Rodriguez S, A.; Martinez Q, E.

1990-07-01

It has been demonstrated that the vibrational asymmetric frequency of the uranyl ion, it experiences a consistent spectrochemical displacement with the variations of electronegativity of the uranium in their complexes. The values of the electronegativity of the uranium they were dear by means of calculations that it involves measures of those lengths of the connection uranium-oxygen, obtained by vibrational spectroscopy, effective nuclear charges and the Allred and Rochow equation. The results show the evidence of a natural order that relates to the vibrational frequency with the electronegativity of the uranium atom; settling down that if the electronegativity is graph against it bond length to the oxygen or to it frequency value, a simple relationship is obtained as a form to obtain clear responses in absence of complementary information. (Author)

Optical properties of Mn doped ZnO films and wires synthesized by thermal oxidation of ZnMn alloy

Energy Technology Data Exchange (ETDEWEB)

Sima, M., E-mail: msima@infim.ro [National Institute of Materials Physics, 105bis Atomistilor Street, 077125 Magurele (Romania); Mihut, L. [National Institute of Materials Physics, 105bis Atomistilor Street, 077125 Magurele (Romania); Vasile, E. [University “Politehnica”of Bucharest, Faculty of Applied Chemistry and Material Science, Department of Oxide Materials and Nanomaterials, No. 1-7 Gh. Polizu Street, 011061 Bucharest (Romania); Sima, Ma.; Logofatu, C. [National Institute of Materials Physics, 105bis Atomistilor Street, 077125 Magurele (Romania)

2015-09-01

Mn doped ZnO films and wires, having different manganese concentrations were synthesized by thermal oxidation of the corresponding ZnMn alloy films and wires electrodeposited on a gold substrate. Structural and optical properties were addressed with scanning electron microscopy, X-ray diffraction (XRD), Raman scattering and photoluminescence (PL). To estimate the manganese concentration in Mn doped ZnO films, X-ray photoelectron spectroscopy was used. XRD patterns indicate that the incorporation of Mn{sup 2+} ions into the Zn{sup 2+} site of ZnO lattice takes place. Quenching of the ZnO PL appears due to Mn{sup 2+} ions in the ZnO lattice. Moreover, a significant decrease in the green emission of ZnO is reported in the case of the Mn doped ZnO wire array with a Mn concentration of 1.45%. The wurtzite ZnO has a total of 12 phonon modes, namely, one longitudinal acoustic (LA), two transverse acoustic (TA), three longitudinal optical (LO), and six transverse optical branches. Compared to the undoped ZnO, a gradual up-shift of the Raman lines assigned to the 2LA and A{sub 1} (LO) vibrational modes, from 482 and 567 cm{sup −1} to 532 and 580 cm{sup −1}, respectively, takes place for the Mn doped ZnO films having a Mn concentration between 2 and 15%. Additionally, in the case of the Mn doped ZnO films with 7 and 15% Mn concentration, Raman spectra show the appearance and increase in the relative intensity of the ZnO Raman line assigned to the TA + LO vibrational mode in the 600–750 cm{sup −1} spectral range. For the Mn-doped ZnO wires, the presence of the Raman line peaking at 527 cm{sup −1} confirms the insertion of Mn{sup 2+} ions in ZnO lattice. - Highlights: • Mn doped ZnO films and wires grown by thermal oxidation of ZnMn alloy • Incorporation of Mn{sup 2+} ions into Zn{sup 2+} site of ZnO lattice • Appearance of a strong Raman line in the spectral range 600–800 cm{sup −1} at high Mn concentration • Compensation of the oxygen vacancy at higher

Conformational analysis and vibrational studies of ethylenediamine-d4, using DFT method

International Nuclear Information System (INIS)

Catikkas, B.

2010-01-01

In this work, conformational analysis and quantum chemical calculations of ethylenediamine-d4 were carried out. The geometry optimization and the geometric parameters (bond length, bond angle and tortion angle) were calculated. The Infrared and Raman frequencies of fundamental modes of the most stable conformer were determined. Calculations were carried out by using the MPW1PW91/6-311+G(d,p) method and Gaussian03 and GaussView3.0 programs. Populations of the conformers was calculated. Vibrational assignments of the title molecule were calculated by using Scaled Quantum Mechanical (SQM) analysis. Calculated values were compared with the experimental ones.

Modeling and experimental characterization of a new piezoelectric sensor for low-amplitude vibration measurement

International Nuclear Information System (INIS)

Hou, X Y; Koh, C G; Kuang, K S C; Lee, W H

2017-01-01

This paper investigates the capability of a novel piezoelectric sensor for low-frequency and low-amplitude vibration measurement. The proposed design effectively amplifies the input acceleration via two amplifying mechanisms and thus eliminates the use of the external charge amplifier or conditioning amplifier typically employed for measurement system. The sensor is also self-powered, i.e. no external power unit is required. Consequently, wiring and electrical insulation for on-site measurement are considerably simpler. In addition, the design also greatly reduces the interference from rotational motion which often accompanies the translational acceleration to be measured. An analytical model is developed based on a set of piezoelectric constitutive equations and beam theory. Closed-form expression is derived to correlate sensor geometry and material properties with its dynamic performance. Experimental calibration is then carried out to validate the analytical model. After calibration, experiments are carried out to check the feasibility of the new sensor in structural vibration detection. From experimental results, it is concluded that the proposed sensor is suitable for measuring low-frequency and low-amplitude vibrations. (paper)

Wire chambers: Trends and alternatives

International Nuclear Information System (INIS)

Regler, Meinhard

1992-01-01

The subtitle of this year's Vienna Wire Chamber Conference - 'Recent Trends and Alternative Techniques' - signalled that it covered a wide range of science and technology. While an opening Vienna talk by wire chamber pioneer Georges Charpak many years ago began 'Les funerailles des chambres a fils (the burial of wire chambers)', the contrary feeling this year was that wire chambers are very much alive!

Enhanced vibration diagnostics using vibration signature analysis

International Nuclear Information System (INIS)

Ahmed, S.; Shehzad, K.; Zahoor, Y.; Mahmood, A.; Bibi, A.

2001-01-01

Symptoms will appear in equipment, as well as in human beings. when 'suffering from sickness. Symptoms of abnormality in equipment are vibration, noise, deformation, temperature, pressure, electric current, crack, wearing, leakage etc. these are called modes of failure. If the mode of failure is vibration then the vibration signature analysis can be effectively used in order to diagnose the machinery problems. Much valuable information is contained within these vibration 'Spectra' or 'Signatures' but is only of use if the analyst can unlock its 'Secrets'. This paper documents a vibration problem in the motor of a centrifugal pump (Type ETA). It focuses mainly on the roll of modern vibration monitoring system in problem analysis. The problem experienced was the motor unstability and noise due to high vibration. Using enhanced vibration signature data, the problem was analyzed. which suggested that the rotor eccentricity was the cause of excessive noise and vibration in the motor. In conclusion, advanced electronic monitoring and diagnostic systems provide powerful information for machine's condition assessment and problem analysis. Appropriate interpretation and use of this information is important for accurate and effective vibration analysis. (author)

Charpak hemispherical wire chamber

CERN Multimedia

1970-01-01

pieces. Mesures are of the largest one. Multi-wire detectors contain layers of positively and negatively charged wires enclosed in a chamber full of gas. A charged particle passing through the chamber knocks negatively charged electrons out of atoms in the gas, leaving behind positive ions. The electrons are pulled towards the positively charged wires. They collide with other atoms on the way, producing an avalanche of electrons and ions. The movement of these electrons and ions induces an electric pulse in the wires which is collected by fast electronics. The size of the pulse is proportional to the energy loss of the original particle.

Monitoring of debris flows and landslides by wired and wireless systems. Experiences from the Catalan Pyrenees.

Science.gov (United States)

Hürlimann, Marcel; Abancó, Clàudia; Moya, José; Vilajosana, Ignasi; Llosa, Jordi

2013-04-01

Sophisticated monitoring of landslides for research purpose has started in the 1990thies in the Catalan Pyrenees. Since then several types of mass movements (large landslides, debris flows, shallow landslides and rock falls) and multiples techniques have been applied. In this contribution, special attention will be given to the debris-flow monitoring system installed since summer 2009 in the Rebaixader catchment, Central Pyrenees. The monitoring system has continuously been improved during the last years and nowadays includes devices studying the three major aspects: 1) initiation, 2) flow dynamics, and 3) accumulation. While some parts of the monitoring network include a traditional wired system, the newer parts were installed using low-power wireless devices. Two major aspects will be discussed. First, results of the Rebaixader monitoring site will be presented. Second, experience regarding the monitoring will be evaluated focussing on technical aspects and the comparison between wired and wireless techniques. In the Rebaixader catchment, 6 debris flows and 11 debris floods were observed between August 2009 and October 2012. Surprisingly, also 4 major rock falls were recorded. The rainfall analysis shows that the debris flows were triggered by short, high-intensity rainstorms with a preliminary threshold of about 15 mm during 1 hour. In addition, there was observed a positive trend between event volume and rainfall amount or intensity. The analysis of the ground vibration signals shows significant differences between the time series recorded at the different geophones. These differences are associated with the geophone location in the channel (distance and material), the mounting or the data acquisition system. For instance, the most downstream geophone, installed in bedrock, shows the clearest debris-flows vibration time series, while the uppermost is the most reliable regarding the detection of rockfalls. An evaluation of wired versus wireless monitoring

Electrodeposition of nickel nano wire arrays

International Nuclear Information System (INIS)

Nur Ubaidah Saidin; Kok Kuan Ying; Ng Inn Khuan; Nurazila Mat Zali; Siti Salwa Zainal Abidin

2010-01-01

Synthesis, characterization and assembly of one-dimensional nickel nano wires prepared by template directed electrodeposition are discussed in this paper. Parallel arrays of high aspect ratio nickel nano wires were electrodeposited using electrolytes with different cations and pH. The nano wires were characterized using X-ray diffractometry and scanning electron microscopy. It was found that the orientations of the electro deposited Ni nano wires were governed by the deposition current and the electrolyte conditions. Free standing nickel nano wires can be obtained by dissolving the template. Due to the magnetic nature of the nano wires, magnetic alignment was employed to assemble and position the free standing nano wires in the device structure. (author)

Wire-number effects on high-power annular z-pinches and some characteristics at high wire number

Energy Technology Data Exchange (ETDEWEB)

SANFORD,THOMAS W. L.

2000-05-23

Characteristics of annular wire-array z-pinches as a function of wire number and at high wire number are reviewed. The data, taken primarily using aluminum wires on Saturn are comprehensive. The experiments have provided important insights into the features of wire-array dynamics critical for high x-ray power generation, and have initiated a renaissance in z-pinches when high numbers of wires are used. In this regime, for example, radiation environments characteristic of those encountered during the early pulses required for indirect-drive ICF ignition on the NIF have been produced in hohlraums driven by x-rays from a z-pinch, and are commented on here.

Wire-number effects on high-power annular z-pinches and some characteristics at high wire number

International Nuclear Information System (INIS)

SANFORD, THOMAS W. L.

2000-01-01

Characteristics of annular wire-array z-pinches as a function of wire number and at high wire number are reviewed. The data, taken primarily using aluminum wires on Saturn are comprehensive. The experiments have provided important insights into the features of wire-array dynamics critical for high x-ray power generation, and have initiated a renaissance in z-pinches when high numbers of wires are used. In this regime, for example, radiation environments characteristic of those encountered during the early pulses required for indirect-drive ICF ignition on the NIF have been produced in hohlraums driven by x-rays from a z-pinch, and are commented on here

Diagnostics for exploding wires (abstract)

International Nuclear Information System (INIS)

Moosman, B.; Bystritskii, V.; Wessel, F.J.; Van Drie, A.

1999-01-01

Two diagnostics, capable of imaging fast, high temperature, plasmas were used on exploding wire experiments at UC Irvine. An atmospheric pressure nitrogen laser (λ=337.1 nm) was used to generate simultaneous shadow and shearing interferogram images with a temporal resolution of ∼1 ns and a spatial resolution of 10 μm. An x-ray backlighter imaged the exploding wire 90 degree with respect to the laser and at approximately the same instant in time. The backlighter spatial resolution as determined by geometry and film resolution was 25 μm. Copper wires of diameters (25, 50, and 100 μm) and steel wire d=25 μm were exploded in vacuum (10 -5 Torr) at a maximum current level of 12 kA, by a rectified marx bank at a voltage of 50 kV and a current rise time (quarter period) of 900 ns. Copper wires which were cleaned and then resistively heated under vacuum to incandescence for several hours prior to high current initiation, exhibited greater expansion velocities at peak current than wires which had not been heated prior to discharge. Axial variations on the surface of the wire observed with the laser were found to correlate with bulk axial mass differences from x-ray backlighting. High electron density, measured near the opaque surface of the exploding wire, suggests that much of the current is shunted outward away from the bulk of the wire. copyright 1999 American Institute of Physics

Self-Catalyzed CdTe Wires

Directory of Open Access Journals (Sweden)

Tom Baines

2018-04-01

Full Text Available CdTe wires have been fabricated via a catalyst free method using the industrially scalable physical vapor deposition technique close space sublimation. Wire growth was shown to be highly dependent on surface roughness and deposition pressure, with only low roughness surfaces being capable of producing wires. Growth of wires is highly (111 oriented and is inferred to occur via a vapor-solid-solid growth mechanism, wherein a CdTe seed particle acts to template the growth. Such seed particles are visible as wire caps and have been characterized via energy dispersive X-ray analysis to establish they are single phase CdTe, hence validating the self-catalysation route. Cathodoluminescence analysis demonstrates that CdTe wires exhibited a much lower level of recombination when compared to a planar CdTe film, which is highly beneficial for semiconductor applications.

Practical wiring in SI units

CERN Document Server

Miller, Henry A

2013-01-01

Practical Wiring, Volume 1 is a 13-chapter book that first describes some of the common hand tools used in connection with sheathed wiring. Subsequent chapters discuss the safety in wiring, cables, conductor terminations, insulating sheathed wiring, conductor sizes, and consumer's control equipments. Other chapters center on socket outlets, plugs, lighting subcircuits, lighting accessories, bells, and primary and secondary cells. This book will be very valuable to students involved in this field of interest.

Wire EDM for Refractory Materials

Science.gov (United States)

Zellars, G. R.; Harris, F. E.; Lowell, C. E.; Pollman, W. M.; Rys, V. J.; Wills, R. J.

1982-01-01

In an attempt to reduce fabrication time and costs, Wire Electrical Discharge Machine (Wire EDM) method was investigated as tool for fabricating matched blade roots and disk slots. Eight high-strength nickel-base superalloys were used. Computer-controlled Wire EDM technique provided high quality surfaces with excellent dimensional tolerances. Wire EDM method offers potential for substantial reductions in fabrication costs for "hard to machine" alloys and electrically conductive materials in specific high-precision applications.

Long-Range Vibrational Dynamics Are Directed by Watson-Crick Base Pairing in Duplex DNA.

Science.gov (United States)

Hithell, Gordon; Shaw, Daniel J; Donaldson, Paul M; Greetham, Gregory M; Towrie, Michael; Burley, Glenn A; Parker, Anthony W; Hunt, Neil T

2016-05-05

Ultrafast two-dimensional infrared (2D-IR) spectroscopy of a 15-mer A-T DNA duplex in solution has revealed structure-dependent vibrational coupling and energy transfer processes linking bases with the sugar-phosphate backbone. Duplex melting induces significant changes in the positions of off-diagonal peaks linking carbonyl and ring-stretching vibrational modes of the adenine and thymine bases with vibrations of the phosphate group and phosphodiester linkage. These indicate that Watson-Crick hydrogen bonding and helix formation lead to a unique vibrational coupling arrangement of base vibrational modes with those of the phosphate unit. On the basis of observations from time-resolved 2D-IR data, we conclude that rapid energy transfer processes occur between base and backbone, mediated by additional modes located on the deoxyribose moiety within the same nucleotide. These relaxation dynamics are insensitive to duplex melting, showing that efficient intramolecular energy relaxation to the solvent via the phosphate groups is the key to excess energy dissipation in both single- and double-stranded DNA.

Audio wiring guide how to wire the most popular audio and video connectors

CERN Document Server

Hechtman, John

2012-01-01

Whether you're a pro or an amateur, a musician or into multimedia, you can't afford to guess about audio wiring. The Audio Wiring Guide is a comprehensive, easy-to-use guide that explains exactly what you need to know. No matter the size of your wiring project or installation, this handy tool provides you with the essential information you need and the techniques to use it. Using The Audio Wiring Guide is like having an expert at your side. By following the clear, step-by-step directions, you can do professional-level work at a fraction of the cost.

K-wire and tension band wire fixation in treating sternoclavicular joint dislocation

Directory of Open Access Journals (Sweden)

CHEN Qing-yu

2011-02-01

Full Text Available 【Abstract】Objective: To evaluate the feasibility and therapeutic effect of treating sternoclavicular joint dislocation by K-wire and tension band wire fixation, and to improve the safety and stability of this technique. Methods: This study consisted of 9 cases, 6 males and 3 females with the mean age of 25 years (range, 9-62 years. The causes were traffic accident in 7 cases, falling in 1 case and fight in 1 case. The duration from injury to operation was 2 hours to 7 days. There were 5 left dislocations and 4 right dislocations; 8 anterior dislocations and 1 posterior dislocation, including one combined with left scapular fracture and one with left olecranon fracture. Open reduction and internal fixation using K-wires and tension band wires were performed to treat dislocations. Results: All patients were followed up for 6 to 24 months, 10 months on average. According to Rockwood’s rating scale on postoperative sternoclavicular joint, 8 cases achieved excellent outcomes with an average score of 13.88, and the rest case achieved a good outcome with the score of 12. Anatomical reduction was obtained in all cases. There were no such postoperative complications as severe infection, injury to blood vessel and nerve, failure of fixation, etc. Patients were all satisfied with the anatomical reduction and functional recovery. Conclusions: The technique of K-wire and tension band wire fixation is safe, simple, effective, less invasive and has been successfully used in orthopedic surgery. It is effective in treating sternoclavicular joint dislocation though it has some disadvantages. Key words: Sternoclavicular joint; Dislocations; Bone wires; Fracture fixation, internal

A comparison of a 'J' wire and a straight wire in successful antegrade cannulation of the superficial femoral artery

International Nuclear Information System (INIS)

Gay, D.A.T.; Edwards, A.J.; Puckett, M.A.; Roobottom, C.A.

2005-01-01

AIMS: To evaluate the success of two different types of wire in common use in their ability to successfully cannulate the superficial femoral artery (SFA) using antegrade puncture. METHODS: 50 consecutive patients in whom antegrade infra-inguinal intervention was planned, underwent common femoral arterial puncture and then cannulation with either a standard 3 mm 'J' wire or a floppy tipped straight wire (William Cook--Europe). The frequency with which each type of wire entered the SFA or profunda femoris artery without image guidance was recorded. Further analysis was also made of the success of manipulation of the wire into the SFA following profunda cannulation and the use of alternative guide wires. RESULTS: In 19 out of 25 (76%) patients the 'J' wire correctly entered the SFA without image guidance. Only 5 out of 25 (25%) of straight wires entered the SFA with the initial pass (p<0.0001). Following further manipulation with the same wire all except 1 'J' wire was successfully negotiated into the SFA. The same was true for only 9 of the remaining straight wires with 11 patients requiring an alternative guide wire. CONCLUSIONS: When performing antegrade cannulation of the SFA a 'J' wire is more likely to be successful than a straight guide wire

A one-stage, high-load capacity separation actuator using anti-friction rollers and redundant shape memory alloy wires.

Science.gov (United States)

Xiaojun, Yan; Dawei, Huang; Xiaoyong, Zhang; Ying, Liu; Qiaolong, Yang

2015-12-01

This paper proposes a SMA (shape memory alloy) wire-based separation actuator with high-load capacity and simple structure. The novel actuator is based on a one-stage locking mechanism, which means that the separation is directly driven by the SMA wire. To release a large preload, a group of anti-friction rollers are adopted to reduce the force for triggering. In addition, two SMA wires are used redundantly to ensure a high reliability. After separation, the actuator can be reset automatically without any auxiliary tool or manual operation. Three prototypes of the separation actuator are fabricated and tested. According to the performance test results, the actuator can release a maximum preload of 40 kN. The separation time tends to decrease as the operation current increases and it can be as short as 0.5 s under a 7.5 A (the voltage is 5.8 V) current. Lifetime test indicates that the actuator has a lifetime of more than 50 cycles. The environmental tests demonstrate that the actuator can endure the typical thermal and vibration environment tests without unexpected separation or structure damage, and separate normally after these environment tests.

The Analysis of the High Speed Wire Drawing Process of High Carbon Steel Wires Under Hydrodynamic Lubrication Conditions

Directory of Open Access Journals (Sweden)

Suliga M.

2015-04-01

Full Text Available In this work the analysis of the wire drawing process in hydrodynamic dies has been done. The drawing process of φ5.5 mm wire rod to the final wire of φ1.7 mm was conducted in 12 passes, in drawing speed range of 5-25 m/s. For final wires of φ1.7 mm the investigation of topography of wire surface, the amount of lubricant on the wire surface and the pressure of lubricant in hydrodynamic dies were determined. Additionally, in the work selected mechanical properties of the wires have been estimated.

Improvement of the vibration of the test fuel(Type-B) with a guide tube under operational condition

Energy Technology Data Exchange (ETDEWEB)

Sohn, Dong Seung; Yim, Jeong Sik; Lim, I. C. [Korea Atomic Energy Research Institute, Taejon (Korea)

1999-04-01

The Type-B test fuel for the Hanaro has a flexible guide tube on top of the fuel to lead and guide the instrumentation wires. Depending on the flow condition in the reactor, the fuel is susceptible to vibration. During the test operation of the fuel, a fairly large amplitude vibration was observed and the possibility of flow tube contact with adjacent flow tubes, due to the excessive vibration of the fuel, and consequent wear or defect of the flow tubes were raised. Thus, to know the vibration characteristics as well as whether the flow tube contact each other, analyses of the Type-B fuel the dummy fuel were performed by BEVIRA and ANSYS. Besides the analyses, vibration tests using the dummy fuel in air and with Type-B fuel in the core at zero power under operational flow condition were executed. The results from the analyses were compared with those from tests to validate the analyses. From the deflection test of the dummy fuel in air to get the maximum displacement of the flow tube at the top, the flow tube were found to contact each other. For the prevention of the contact of the flow tubes caused by the excessive vibration of the guide tube, an additional support to the guide tube was proposed. With the additional support, analysis and in core vibration test under operational flow condition were conducted and there found to be no excessive vibration any more. 6 refs., 16 figs., 6 tabs. (Author)

Vibrational properties of the amide group in acetanilide: A molecular-dynamics study

Science.gov (United States)

Campa, Alessandro; Giansanti, Andrea; Tenenbaum, Alexander

1987-09-01

A simplified classical model of acetanilide crystal is built in order to study the mechanisms of vibrational energy transduction in a hydrogen-bonded solid. The intermolecular hydrogen bond is modeled by an electrostatic interaction between neighboring excess charges on hydrogen and oxygen atoms. The intramolecular interaction in the peptide group is provided by a dipole-charge interaction. Forces are calculated up to second-order terms in the atomic displacements from equilibrium positions; the model is thus a chain of nonlinear coupled oscillators. Numerical molecular-dynamics experiments are performed on chain segments of five molecules. The dynamics is ordered, at all temperatures. Energy is widely exchanged between the stretching and the bending of the N-H bond, with characteristic times of the order of 0.2 ps. Energy transduction through the H bond is somewhat slower and of smaller amplitude, and is strongly reduced when the energies of the two bound molecules are very different: This could reduce the dissipation of localized energy fluctuations.

H3+: Ab initio calculation of the vibration spectrum

International Nuclear Information System (INIS)

Carney, G.D.; Porter, R.N.

1976-01-01

The vibration spectrum of H 3 + is calculated from the representation of a previously reported [J. Chem Phys. 60, 4251 (1974)] ab initio potential-energy surface in a fifth degree Simons--Parr--Finlan (SPF) expansion. Morse- and harmonic-oscillator basis functions are used to describe the motions of the three oscillators and the Harris--Engerholm--Gwinn quadrature technique is used to obtain matrix elements of the Hamiltonian in the basis of vibrational configurations. Our variational method is thus analogous to configuration--interaction calculations for electronic states. The ground state is found to have a zero-point energy of 4345 cm -1 and a vibrationally averaged geometry of R 1 =R 2 =0.91396 A, theta=60.0012degree, where theta is the angle between the two equivalent bonds. The transition frequencies for the E and A 1 fundamentals are nu-bar/sub E/=2516 cm -1 and nu-bar/sub A/=3185 cm -1 and those for the corresponding first overtones of the bending mode are 2nu-bar/sub E/=5004 +- 4 cm -1 and 2nu-bar/sub A/=4799 cm -1 . The first overtone of the breathing mode is 6264 cm -1 . The first-excited A 1 vibration state is metastable with a dipole--radiation lifetime of 3 sec. Transition frequencies, Einstein coefficients, and lifetimes are reported for a total of 21 transitions. Analysis of results for Dunham number and normal-coordinate expansions in comparison with those for SPF expansion show the latter to be superior for ab initio vibrational calculations. A scheme for possible direct measurement of the fundamental A 1 and E vibrational bands is suggested

Towards plant wires.

Science.gov (United States)

Adamatzky, Andrew

2014-08-01

In experimental laboratory studies we evaluate a possibility of making electrical wires from living plants. In scoping experiments we use lettuce seedlings as a prototype model of a plant wire. We approximate an electrical potential transfer function by applying direct current voltage to the lettuce seedlings and recording output voltage. We analyse oscillation frequencies of the output potential and assess noise immunity of the plant wires. Our findings will be used in future designs of self-growing wetware circuits and devices, and integration of plant-based electronic components into future and emergent bio-hybrid systems. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Energetics and Vibrational Analysis of Methyl Salicylate Isomers

Science.gov (United States)

Massaro, Richard D.; Dai, Yafei; Blaisten-Barojas, Estela

2009-08-01

Energetics and vibrational analysis study of six isomers of methyl salicylate in their singlet ground state and first excited triple state is put forward in this work at the density functional theory level and large basis sets. The ketoB isomer is the lowest energy isomer, followed by its rotamer ketoA. For both ketoB and ketoA their enolized tautomers are found to be stable as well as their open forms that lack the internal hydrogen bond. The calculated vibrational spectra are in excellent agreement with IR experiments of methyl salicylate in the vapor phase. It is demonstrated that solvent effects have a weak influence on the stability of these isomers. The ionization reaction from ketoB to ketoA shows a high barrier of 0.67 eV ensuring that thermal and chemical equilibria yield systems containing mostly the ketoB isomer at normal conditions.

Structural Characterization of N-Alkylated Twisted Amides: Consequences for Amide Bond Resonance and N-C Cleavage.

Science.gov (United States)

Hu, Feng; Lalancette, Roger; Szostak, Michal

2016-04-11

Herein, we describe the first structural characterization of N-alkylated twisted amides prepared directly by N-alkylation of the corresponding non-planar lactams. This study provides the first experimental evidence that N-alkylation results in a dramatic increase of non-planarity around the amide N-C(O) bond. Moreover, we report a rare example of a molecular wire supported by the same amide C=O-Ag bonds. Reactivity studies demonstrate rapid nucleophilic addition to the N-C(O) moiety of N-alkylated amides, indicating the lack of n(N) to π*(C=O) conjugation. Most crucially, we demonstrate that N-alkylation activates the otherwise unreactive amide bond towards σ N-C cleavage by switchable coordination. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.