[All-ceramic resin bonded fixed partial denture made of IPS hot-pressed casting porcelain restore anterior missing teeth: a three years clinical observation].

PubMed

Zhou, Tuan feng; Wang, Xin zhi; Zhang, Gui rong

2011-02-18

To clinic observation of IPS Empress2 and IPS e.max all ceramic resin bonded fixed partial dentures used in one anterior teeth lost in upper jaw or less than two anterior tooth lost in lower jaw. 22 patients, 26 restorations had been made, which included 16 single-retainer all ceramic resin bonded fixed partial dentures and 10 two-retainers all ceramic resin bonded fixed partial dentures. Secondary caries of the abutments, shade in the margin of the retainers and the integrity of the restorations had been observed at 3 months, 6 months, 1 year, 2 years and 3 years after all ceramic resin bonded fixed partial dentures having been bonded. In the 3 years of clinic observation of the anterior all ceramic resin bonded fixed partial dentures, 1 two-retainers restoration lost bond after it had been made for 3 months, a retainer of one two-retainers restoration was broken after 6 months, but they are still used after modified as one-retainer all ceramic resin bonded fixed partial dentures, 1 two-retainers restoration lost bond two year later, It was integrity and re-bonded again that was still stable. No secondary carries and no shade in margin of the retainers had been found. Their color matches with the nature teeth excellently. The success rate was 88.5%. IPS Empress 2 and IPS e.max all ceramic resin bonded fixed partial dentures should be a good selection in one or two teeth lose in anterior jaws.

On contribution of known atomic partial charges of protein backbone in electrostatic potential density maps

PubMed Central

2017-01-01

Abstract Partial charges of atoms in a molecule and electrostatic potential (ESP) density for that molecule are known to bear a strong correlation. In order to generate a set of point‐field force field parameters for molecular dynamics, Kollman and coworkers have extracted atomic partial charges for each of all 20 amino acids using restrained partial charge‐fitting procedures from theoretical ESP density obtained from condensed‐state quantum mechanics. The magnitude of atomic partial charges for neutral peptide backbone they have obtained is similar to that of partial atomic charges for ionized carboxylate side chain atoms. In this study, the effect of these known atomic partial charges on ESP is examined using computer simulations and compared with the experimental ESP density recently obtained for proteins using electron microscopy. It is found that the observed ESP density maps are most consistent with the simulations that include atomic partial charges of protein backbone. Therefore, atomic partial charges are integral part of atomic properties in protein molecules and should be included in model refinement. PMID:28370507

Clinical acceptability of metal-ceramic fixed partial dental prosthesis fabricated with direct metal laser sintering technique-5 year follow-up.

PubMed

Prabhu, Radhakrishnan; Prabhu, Geetha; Baskaran, Eswaran; Arumugam, Eswaran M

2016-01-01

In recent years, direct metal laser sintered (DMLS) metal-ceramic-based fixed partial denture prostheses have been used as an alternative to conventional metal-ceramic fixed partial denture prostheses. However, clinical studies for evaluating their long-term clinical survivability and acceptability are limited. The aim of this study was to assess the efficacy of metal-ceramic fixed dental prosthesis fabricated with DMLS technique, and its clinical acceptance on long-term clinical use. The study group consisted of 45 patients who were restored with posterior three-unit fixed partial denture prosthesis made using direct laser sintered metal-ceramic restorations. Patient recall and clinical examination of the restorations were done after 6months and every 12 months thereafter for the period of 60 months. Clinical examination for evaluation of longevity of restorations was done using modified Ryge criteria which included chipping of the veneered ceramic, connector failure occurring in the fixed partial denture prosthesis, discoloration at the marginal areas of the veneered ceramic, and marginal adaptation of the metal and ceramic of the fixed denture prosthesis. Periapical status was assessed using periodical radiographs during the study period. Survival analysis was made using the Kaplan-Meier method. None of the patients had failure of the connector of the fixed partial denture prostheses during the study period. Two exhibited biological changes which included periapical changes and proximal caries adjacent to the abutments. DMLS metal-ceramic fixed partial denture prosthesis had a survival rate of 95.5% and yielded promising results during the 5-year clinical study.

A System Approach to Navy Medical Education and Training. Appendix 45. Competency Curricula for Dental Prosthetic Assistant and Dental Prosthetic Technician.

DTIC Science & Technology

1974-08-31

Removable Partial Dentures ..................... 34 XI. Fixed Partial Denture Construction .. ........ 35 l. Construct Master Cast with Removable...Dies . . . 36 2. Construct Patterns for Fixed Partial Dentures .. . ..... 37 3. Spruing and Investing oeu . . . 38 4. Wax Elimination and Casting...42 S. Re3in Jacket Crowns . . ............ 43 9. Temporary Crowns and Fixed Partial Dentures . . 44 10. Post and Core Techniques . . o

13 CFR 120.213 - What fixed interest rates may a Lender charge?

Code of Federal Regulations, 2010 CFR

2010-01-01

... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false What fixed interest rates may a... BUSINESS LOANS Policies Specific to 7(a) Loans Maturities; Interest Rates; Loan and Guarantee Amounts § 120.213 What fixed interest rates may a Lender charge? (a) Fixed Rates for Guaranteed Loans. A loan may...

Clinical acceptability of metal-ceramic fixed partial dental prosthesis fabricated with direct metal laser sintering technique-5 year follow-up

PubMed Central

Prabhu, Radhakrishnan; Prabhu, Geetha; Baskaran, Eswaran; Arumugam, Eswaran M.

2016-01-01

Statement of Problem: In recent years, direct metal laser sintered (DMLS) metal-ceramic-based fixed partial denture prostheses have been used as an alternative to conventional metal-ceramic fixed partial denture prostheses. However, clinical studies for evaluating their long-term clinical survivability and acceptability are limited. Aims and Objective: The aim of this study was to assess the efficacy of metal-ceramic fixed dental prosthesis fabricated with DMLS technique, and its clinical acceptance on long-term clinical use. Materials and Methods: The study group consisted of 45 patients who were restored with posterior three-unit fixed partial denture prosthesis made using direct laser sintered metal-ceramic restorations. Patient recall and clinical examination of the restorations were done after 6months and every 12 months thereafter for the period of 60 months. Clinical examination for evaluation of longevity of restorations was done using modified Ryge criteria which included chipping of the veneered ceramic, connector failure occurring in the fixed partial denture prosthesis, discoloration at the marginal areas of the veneered ceramic, and marginal adaptation of the metal and ceramic of the fixed denture prosthesis. Periapical status was assessed using periodical radiographs during the study period. Survival analysis was made using the Kaplan–Meier method. Results: None of the patients had failure of the connector of the fixed partial denture prostheses during the study period. Two exhibited biological changes which included periapical changes and proximal caries adjacent to the abutments. Conclusion: DMLS metal-ceramic fixed partial denture prosthesis had a survival rate of 95.5% and yielded promising results during the 5-year clinical study. PMID:27141171

Insulator-semiconductor interface fixed charges in AlGaN/GaN metal-insulator-semiconductor devices with Al2O3 or AlTiO gate dielectrics

NASA Astrophysics Data System (ADS)

Le, Son Phuong; Nguyen, Duong Dai; Suzuki, Toshi-kazu

2018-01-01

We have investigated insulator-semiconductor interface fixed charges in AlGaN/GaN metal-insulator-semiconductor (MIS) devices with Al2O3 or AlTiO (an alloy of Al2O3 and TiO2) gate dielectrics obtained by atomic layer deposition on AlGaN. Analyzing insulator-thickness dependences of threshold voltages for the MIS devices, we evaluated positive interface fixed charges, whose density at the AlTiO/AlGaN interface is significantly lower than that at the Al2O3/AlGaN interface. This and a higher dielectric constant of AlTiO lead to rather shallower threshold voltages for the AlTiO gate dielectric than for Al2O3. The lower interface fixed charge density also leads to the fact that the two-dimensional electron concentration is a decreasing function of the insulator thickness for AlTiO, whereas being an increasing function for Al2O3. Moreover, we discuss the relationship between the interface fixed charges and interface states. From the conductance method, it is shown that the interface state densities are very similar at the Al2O3/AlGaN and AlTiO/AlGaN interfaces. Therefore, we consider that the lower AlTiO/AlGaN interface fixed charge density is not owing to electrons trapped at deep interface states compensating the positive fixed charges and can be attributed to a lower density of oxygen-related interface donors.

Relevance of Variations in the Opposing Dentition for the Functionality of Fixed and Removable Partial Dentures: A Systematic Review

PubMed Central

Pommer, Bernhard; Krainhöfner, Martin; Watzek, Georg; Tepper, Gabor; Dintsios, Charalabos-Markos

2012-01-01

The aim of this systematic review was to evaluate the functionality of fixed and removable partial dentures as test interventions in relation to variations in the opposing dentition and their prosthetic restoration. The abstracts identified in the respective databases were screened independently by two investigators. RCTs and uncontrolled studies were considered, provided the patients were included consecutively and the confounding variables were adequately monitored. Seventeen papers were included. The study and publication quality was assessed using a “biometric quality” tool showing an overall poor quality. The reported outcomes, such as survival rates, were in each case obtained from a single study. Two possible trends could be deduced for the endpoint longevity: (a) the first trend in favor of removable partial dentures, compared to fixed partial dentures, with a fully edentulous opposing arch fitted with a removable prosthesis; (b) the second trend in favor of implant-supported partial dentures, compared to conventionally fixed partial dentures, with natural opposing dentition or with a removable partial denture in the opposing arch. No evidence could be generated as to whether, and if so how, variations in the opposing dentition have a bearing on the decision to fit a partially edentulous arch with a fixed or removable partial denture. PMID:23193407

Fracture Surface Analysis of Clinically Failed Fixed Partial Dentures

PubMed Central

Taskonak, B.; Mecholsky, J.J.; Anusavice, K.J.

2008-01-01

Ceramic systems have limited long-term fracture resistance, especially when they are used in posterior areas or for fixed partial dentures. The objective of this study was to determine the site of crack initiation and the causes of fracture of clinically failed ceramic fixed partial dentures. Six Empress 2® lithia-disilicate (Li2O·2SiO2)-based veneered bridges and 7 experimental lithia-disilicate-based non-veneered ceramic bridges were retrieved and analyzed. Fractography and fracture mechanics methods were used to estimate the stresses at failure in 6 bridges (50%) whose fracture initiated from the occlusal surface of the connectors. Fracture of 1 non-veneered bridge (8%) initiated within the gingival surface of the connector. Three veneered bridges fractured within the veneer layers. Failure stresses of the all-core fixed partial dentures ranged from 107 to 161 MPa. Failure stresses of the veneered fixed partial dentures ranged from 19 to 68 MPa. We conclude that fracture initiation sites are controlled primarily by contact damage. PMID:16498078

Fragmentation of organic ions bearing fixed multiple charges observed in MALDI MS.

PubMed

Lou, Xianwen; Li, Bao; de Waal, Bas F M; Schill, Jurgen; Baker, Matthew B; Bovee, Ralf A A; van Dongen, Joost L J; Milroy, Lech-Gustav; Meijer, E W

2018-01-01

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) was used to analyze a series of synthetic organic ions bearing fixed multiple charges. Despite the multiple intrinsic charges, only singly charged ions were recorded in each case. In addition to the pseudo-molecular ions formed by counterion adduction, deprotonation and electron capture, a number of fragment ions were also observed. Charge splitting by fragmentation was found to be a viable route for charge reduction leading to the formation of the observed singly charged fragment ions. Unlike multivalent metal ions, organic ions can rearrange and/or fragment during charge reduction. This fragmentation process will evidently complicate the interpretation of the MALDI MS spectrum. Because MALDI MS is usually considered as a soft ionization technique, the fragment ion peaks can easily be erroneously interpreted as impurities. Therefore, the awareness and understanding of the underlying MALDI-induced fragmentation pathways is essential for a proper interpretation of the corresponding mass spectra. Due to the fragment ions generated during charge reduction, special care should be taken in the MALDI MS analysis of multiply charged ions. In this work, the possible mechanisms by which the organic ions bearing fixed multiple charges fragment are investigated. With an improved understanding of the fragmentation mechanisms, MALDI TOF MS should still be a useful technique for the characterization of organic ions with fixed multiple charges. Copyright © 2017 John Wiley & Sons, Ltd.

Noise power spectrum of the fixed pattern noise in digital radiography detectors

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

Kim, Dong Sik, E-mail: dskim@hufs.ac.kr; Kim, Eun

Purpose: The fixed pattern noise in radiography image detectors is caused by various sources. Multiple readout circuits with gate drivers and charge amplifiers are used to efficiently acquire the pixel voltage signals. However, the multiple circuits are not identical and thus yield nonuniform system gains. Nonuniform sensitivities are also produced from local variations in the charge collection elements. Furthermore, in phosphor-based detectors, the optical scattering at the top surface of the columnar CsI growth, the grain boundaries, and the disorder structure causes spatial sensitivity variations. These nonuniform gains or sensitivities cause fixed pattern noise and degrade the detector performance, evenmore » though the noise problem can be partially alleviated by using gain correction techniques. Hence, in order to develop good detectors, comparative analysis of the energy spectrum of the fixed pattern noise is important. Methods: In order to observe the energy spectrum of the fixed pattern noise, a normalized noise power spectrum (NNPS) of the fixed pattern noise is considered in this paper. Since the fixed pattern noise is mainly caused by the nonuniform gains, we call the spectrum the gain NNPS. We first asymptotically observe the gain NNPS and then formulate two relationships to calculate the gain NNPS based on a nonuniform-gain model. Since the gain NNPS values are quite low compared to the usual NNPS, measuring such a low NNPS value is difficult. By using the average of the uniform exposure images, a robust measuring method for the gain NNPS is proposed in this paper. Results: By using the proposed measuring method, the gain NNPS curves of several prototypes of general radiography and mammography detectors were measured to analyze their fixed pattern noise properties. We notice that a direct detector, which is based on the a-Se photoconductor, showed lower gain NNPS than the indirect-detector case, which is based on the CsI scintillator. By comparing the gain NNPS curves of the indirect detectors, we could analyze the scintillator properties depending on the techniques for the scintillator surface processing. Conclusions: A robust measuring method for the NNPS of the fixed pattern noise of a radiography detector is proposed in this paper. The method can measure a stable gain NNPS curve, even though the fixed pattern noise level is quite low. From the measured gain NNPS curves, we can compare and analyze the detector properties in terms of producing the fixed pattern noise.« less

Evaluation of metal-polymeric fixed partial prosthesis using optical coherence tomography

NASA Astrophysics Data System (ADS)

Sinescu, C.; Negrutiu, M. L.; Duma, V. F.; Marcauteanu, C.; Topala, F. I.; Rominu, M.; Bradu, A.; Podoleanu, A. Gh.

2013-11-01

Metal-Polymeric fixed partial prosthesis is the usual prosthetic treatment for many dental patients. However, during the mastication the polymeric component of the prosthesis is fractured and will be lost. This fracture is caused by the material defects or by the fracture lines trapped inside the esthetic components of the prosthesis. This will finally lead to the failure of the prosthetic treatment. Nowadays, there is no method of identification and forecast for the materials defects of the polymeric materials. The aim of this paper is to demonstrate the capability of Optical Coherence Tomography (OCT) as a non-invasive clinical method that can be used for the evaluation of metal-polymeric fixed partial prostheses. Twenty metal-polymeric fixed partial prostheses were used for this study. The esthetic component of the prostheses has been Adoro (Ivoclar). Optical investigations of the metal prostheses have revealed no material defects or fracture lines. All the prostheses were temporary cemented in the oral cavities of the patients for six month. The non-invasive method used for the investigations was OCT working in Time Domain mode at 1300 nm. The evaluations of the prostheses were performed before and after their cementation in the patient mouths. All the imagistic results were performed in 2D and than in 3D, after the reconstruction. The results obtained after the OCT evaluation allowed for the identification of 4 metal-polymeric fixed partial prostheses with material defects immediately after finishing the technological procedures. After 6 month in the oral environment other 3 fixed partial prostheses revealed fracture lines. In conclusion, OCT proved to be a valuable tool for the noninvasive evaluation of the metal-polymeric fixed partial prostheses.

Fixed partial dentures investigated by optical coherent tomography

NASA Astrophysics Data System (ADS)

Sinescu, Cosmin; Negrutiu, Meda; Todea, Carmen; Hughes, Mike; Tudorache, Florin; Podoleanu, Adrian G.

2008-02-01

Fixed partial prostheses as integral ceramics, integral polymers, metal ceramics or metal polymers bridges, are mainly used in the frontal part of the dental arch (especially the integral bridges). They have to satisfy high stress requirements as well as esthetic. The masticatory stress may induce fractures of the bridges. These may be triggered by initial materials defects or by alterations of the technological process. The fractures of these bridges lead to functional, esthetic and phonetic disturbances which finally render the prosthetic treatment inefficient. The purpose of this study is to evaluate the capability of en-face optical coherence tomography (OCT) in detection and analysis of possible fractures in several integral fixed partial dentures. The materials used were represented by several fixed partial prostheses, integral ceramics, integral polymers, metal ceramics and metal polymers bridges. In order to discover the defects, scanning was performed from incisal, vestibular, oral and cervical directions material defects such as fractures and pores were investigated using OCT. In conclusion, en-face OCT has proven as a valuable non invasive method to investigate fixed partial prostheses before their insertion in the oral cavity.

Ab initio quantum chemical calculations of the interaction between radioactive elements and imidazolium based ionic liquids

NASA Astrophysics Data System (ADS)

Saravanan, A. V. Sai; Abishek, B.; Anantharaj, R.

2018-04-01

The fundamental natures of the molecular level interaction and charge transfer between specific radioactive elements and ionic liquids of 1-butyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide ([BMIM]+[NTf2]-), 1-Butyl-3-methylimidazolium ethylsulfate ([BMIM]+[ES]-) and 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM]+[BF4]-) were investigated utilising HF theory and B3LYP hybrid DFT. The ambiguity in reaction mechanism of the interacting species dictates to employ Effective Core Potential (ECP) basis sets such as UGBS, SDD, and SDDAll to account for the relativistic effects of deep core electrons in the system involving potential, heavy and hazardous radioactive elements present in nuclear waste. The SCF energy convergence of each system validates the characterisation of the molecular orbitals as a linear combination of atomic orbitals utilising fixed MO coefficients and the optimized geometry of each system is visualised based on which Mulliken partial charge analysis is carried out to account for the polarising behaviour of the radioactive element and charge transfer between the IL phase by comparison with the bare IL species.

Polarizable six-point water models from computational and empirical optimization.

PubMed

Tröster, Philipp; Lorenzen, Konstantin; Tavan, Paul

2014-02-13

Tröster et al. (J. Phys. Chem B 2013, 117, 9486-9500) recently suggested a mixed computational and empirical approach to the optimization of polarizable molecular mechanics (PMM) water models. In the empirical part the parameters of Buckingham potentials are optimized by PMM molecular dynamics (MD) simulations. The computational part applies hybrid calculations, which combine the quantum mechanical description of a H2O molecule by density functional theory (DFT) with a PMM model of its liquid phase environment generated by MD. While the static dipole moments and polarizabilities of the PMM water models are fixed at the experimental gas phase values, the DFT/PMM calculations are employed to optimize the remaining electrostatic properties. These properties cover the width of a Gaussian inducible dipole positioned at the oxygen and the locations of massless negative charge points within the molecule (the positive charges are attached to the hydrogens). The authors considered the cases of one and two negative charges rendering the PMM four- and five-point models TL4P and TL5P. Here we extend their approach to three negative charges, thus suggesting the PMM six-point model TL6P. As compared to the predecessors and to other PMM models, which also exhibit partial charges at fixed positions, TL6P turned out to predict all studied properties of liquid water at p0 = 1 bar and T0 = 300 K with a remarkable accuracy. These properties cover, for instance, the diffusion constant, viscosity, isobaric heat capacity, isothermal compressibility, dielectric constant, density, and the isobaric thermal expansion coefficient. This success concurrently provides a microscopic physical explanation of corresponding shortcomings of previous models. It uniquely assigns the failures of previous models to substantial inaccuracies in the description of the higher electrostatic multipole moments of liquid phase water molecules. Resulting favorable properties concerning the transferability to other temperatures and conditions like the melting of ice are also discussed.

The Incidence and Short Term Functional Effect of Partial PCL Release in Fixed and Mobile Bearing PCL Retaining TKA.

PubMed

Schwarzkopf, Ran; Woolwine, Spencer; Josephs, Lee; Scott, Richard D

2015-12-01

Posterior cruciate ligament (PCL) release may be required to balance the flexion gap in PCL retaining TKA. This study examines the incidence and functional consequences of PCL release in both fixed and mobile bearing TKA. A consecutive series of 1388 TKAs with 1014 fixed bearing, and 374 mobile bearing implants were reviewed for prevalence of partial PCL release, restoration of potential flexion and objective knee stability at minimum one-year follow-up. Patients receiving mobile bearing inserts were more likely to need partial PCL release (42% versus 17.5%). The occurrence of partial PCL release did not have a significant impact on knee range of motion and subjective knee stability. The need for a partial PCL release appears to be greater in mobile than in fixed bearing. Knees that required a release in both groups demonstrated no difference in restoration of flexion compared with unreleased knees and no adverse effects on flexion stability. Copyright © 2015 Elsevier Inc. All rights reserved.

Screwless fixed detachable partial overdenture treatment for atrophic partial edentulism of the anterior maxilla.

PubMed

Flanagan, Dennis

2008-01-01

This is a case report of the restoration of a partially edentulous atrophic anterior maxilla and atrophic mandibular posterior ridges. This case report demonstrates one method for successful treatment of partial edentulism at No. 7 to 10, where interlock attachments on natural cuspids and mini dental implants support an acrylic-based screwless fixed detachable partial denture to provide lip support and masticatory function in the anterior maxilla. The presenting qualities of this case were similar to combination syndrome.

[Fixed partial denture on implants. Prosthodontic and biomechanical considerations].

PubMed

del Rio Highsmith, J; Garcia-Lomas, S; Mandinazagoitia, C

1990-01-01

In this issue are analyzed the factors that support the selection of the partial edentulous patients, for the construction of partial fixed prosthesis implantosupported, and the biomechanical considerations that we have to consider in relation to: relation implant-bone, the use of natural teeth, part of the jaw, length of the space, opponent jaw and materials.

Effect of incorporation of nitrogen atoms in Al2O3 gate dielectric of wide-bandgap-semiconductor MOSFET on gate leakage current and negative fixed charge

NASA Astrophysics Data System (ADS)

Kojima, Eiji; Chokawa, Kenta; Shirakawa, Hiroki; Araidai, Masaaki; Hosoi, Takuji; Watanabe, Heiji; Shiraishi, Kenji

2018-06-01

We performed first-principle calculations to investigate the effect of incorporation of N atoms into Al2O3 gate dielectrics. Our calculations show that the defect levels generated by VO in Al2O3 are the origin of the stress-induced gate leakage current and that VOVAl complexes in Al2O3 cause negative fixed charge. We revealed that the incorporation of N atoms into Al2O3 eliminates the VO defect levels, reducing the stress-induced gate leakage current. Moreover, this suppresses the formation of negatively charged VOVAl complexes. Therefore, AlON can reduce both stress-induced gate leakage current and negative fixed charge in wide-bandgap-semiconductor MOSFETs.

Removable partial denture supported by implants with prefabricated telescopic abutments - a case report.

PubMed

Kumar, Lalit; Sehgal, Komal

2014-06-01

Implants have been designed to rehabilitate edentulous patients with fixed prosthesis or implant supported overdentures. Implant-supported single crowns and fixed partial dentures have become successful treatment alternatives to removable and fixed partial dentures. However, it is common to have clinical situations which make it impossible to use conventional as well as implant supported fixed partial dentures. The implant supported removable partial dentures can be a treatment modality that offers the multitude of benefits of implant-based therapy-biologic, biomechanical, social, and psychological to such patients. The aim of this article is to present a case report describing the fabrication and advantages of removable partial denture supported by teeth and implants for a patient with long edentulous span. The patient was satisfied with his dentures in terms of function and aesthetics. Regular follow-up visits over a period of three years revealed that the periodontal condition of remaining natural dentition and peri-implant conditions were stable. There was no evidence of excessive residual ridge resorption or mobility of the teeth, nor were any visible changes in the bone levels of the natural teeth or implants noted on radiographs.

Democratic superstring field theory: gauge fixing

NASA Astrophysics Data System (ADS)

Kroyter, Michael

2011-03-01

We show that a partial gauge fixing of the NS sector of the democratic-picture superstring field theory leads to the non-polynomial theory. Moreover, by partially gauge fixing the Ramond sector we obtain a non-polynomial fully RNS theory at pictures 0 and 1/2 . Within the democratic theory and in the partially gauge fixed theory the equations of motion of both sectors are derived from an action. We also discuss a representation of the non-polynomial theory analogous to a manifestly two-dimensional representation of WZW theory and the action of bosonic pure-gauge solutions. We further demonstrate that one can consistently gauge fix the NS sector of the democratic theory at picture number -1. The resulting theory is new. It is a {mathbb{Z}_2} dual of the modified cubic theory. We construct analytical solutions of this theory and show that they possess the desired properties.

Verification of finite element analysis of fixed partial denture with in vitro electronic strain measurement.

PubMed

Wang, Gaoqi; Zhang, Song; Bian, Cuirong; Kong, Hui

2016-01-01

The purpose of the study was to verify the finite element analysis model of three-unite fixed partial denture with in vitro electronic strain analysis and analyze clinical situation with the verified model. First, strain gauges were attached to the critical areas of a three-unit fixed partial denture. Strain values were measured under 300 N load perpendicular to the occlusal plane. Secondly, a three-dimensional finite element model in accordance with the electronic strain analysis experiment was constructed from the scanning data. And the strain values obtained by finite element analysis and in vitro measurements were compared. Finally, the clinical destruction of the fixed partial denture was evaluated with the verified finite element analysis model. There was a mutual agreement and consistency between the finite element analysis results and experimental data. The finite element analysis revealed that failure will occur in the veneer layer on buccal surface of the connector under occlusal force of 570 N. The results indicate that the electronic strain analysis is an appropriate and cost saving method to verify the finite element model. The veneer layer on buccal surface of the connector is the weakest area in the fixed partial denture. Copyright © 2015 Japan Prosthodontic Society. Published by Elsevier Ltd. All rights reserved.

Removable partial denture on osseointegrated implants and natural teeth.

PubMed

Chang, Li-Ching; Wang, Jen-Chyan; Tasi, Chi-Cheng

2007-01-01

Implants have been designed to provide edentulous patients with fixed prostheses or overdentures. Recently, implant-supported fixed partial prostheses and single crowns have become successful treatment alternatives to removable and fixed partial dentures. However, few researchers have examined "removable partial dentures on implants and natural teeth". In this article, we report two patients fitted with "removable partial dentures on implants and natural teeth". The patients were satisfied with their dentures in terms of function and aesthetics. Regular follow-up visits revealed that the periodontal and peri-implant conditions were stable. There was no evidence of excessive intrusion or mobility of the teeth, nor were any visible changes in the bone levels of the natural teeth or implants noted on radiographs. Since the average duration of observation was about 38 months, further follow-up examinations are necessary to determine whether these dentures remain stable long-term.

The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids

NASA Astrophysics Data System (ADS)

Zolghadr, Amin Reza; Ghatee, Mohammad Hadi; Moosavi, Fatemeh

2016-08-01

Partial atomic charges using various quantum mechanical calculations for [Cnmim]Cl (n = 1, 4) ionic liquids (ILs) are obtained and used for development of molecular dynamics simulation (MD) force fields. The isolated ion pairs are optimized using HF, B3LYP, and MP2 methods for electronic structure with 6-311++G(d,p) basis set. Partial atomic charges are assigned to the atomic center with CHELPG and NBO methods. The effect of these sets of partial charges on the static and dynamic properties of ILs is evaluated by performing a series of MD simulations and comparing the essential thermodynamic properties with the available experimental data and available molecular dynamics simulation results. In contrast to the general trends reported for ionic liquids with BF4, PF6, and iodide anions (in which restrained electrostatic potential (RESP) charges are preferred), partial charges derived by B3LYP-NBO method are relatively good in prediction of the structural, dynamical, and thermodynamic energetic properties of the chloride based ILs.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Enhancement of water permeation across nanochannels by partial charges mimicked from biological channels

NASA Astrophysics Data System (ADS)

Gong, Xiao-Jing; Fang, Hai-Ping

2008-07-01

In biological water channel aquaporins (AQPs), it is believed that the bipolar orientation of the single-file water molecules inside the channel blocks proton permeation but not water transport. In this paper, the water permeation and particularly the water-selective behaviour across a single-walled carbon nanotube (SWNT) with two partial charges adjacent to the wall of the SWNT are studied by molecular dynamics simulations, in which the distance between the two partial charges is varied from 0.14 nm to 0.5 nm and the charges each have a quantity of 0.5 e. The two partial charges are used to mimic the charge distribution of the conserved non-pseudoautosomal (NPA) (asparagine/proline/alanine) regions in AQPs. Compared with across the nanochannel in a system with one +1 e charge, the water permeation across the nanochannel is greatly enhanced in a system with two +0.5 e charges when charges are close to the nanotube, i.e. the two partial charges permit more rapid water diffusion and maintain better bipolar order along the water file when the distance between the two charges and the wall of SWNT is smaller than about 0.05 nm. The bipolar orientation of the single-file water molecules is crucial for the exclusion of proton transfer. These findings may serve as guidelines for the future nanodevices by using charges to transport water and have biological implications because membrane water channels share a similar single-file water chain and positive charged region at centre and provide an insight into why two residues are necessitated in the central region of water channel protein.

33 CFR Appendix B to Part 277 - Hypothetical Example of Cost Apportionment

Code of Federal Regulations, 2013 CFR

2013-07-01

...) $165,489 I b. Fixed charges (owner's share) 284,460 II A fixed charge such as engineering, design and... new bridge is designed for increased loading and width greater than that of the old bridge. Therefore, the estimated annual maintenance cost was based on a hypothetical bridge designed, but not constructed...

33 CFR Appendix B to Part 277 - Hypothetical Example of Cost Apportionment

Code of Federal Regulations, 2014 CFR

2014-07-01

...) $165,489 I b. Fixed charges (owner's share) 284,460 II A fixed charge such as engineering, design and... new bridge is designed for increased loading and width greater than that of the old bridge. Therefore, the estimated annual maintenance cost was based on a hypothetical bridge designed, but not constructed...

33 CFR Appendix B to Part 277 - Hypothetical Example of Cost Apportionment

Code of Federal Regulations, 2010 CFR

2010-07-01

...) $165,489 I b. Fixed charges (owner's share) 284,460 II A fixed charge such as engineering, design and... new bridge is designed for increased loading and width greater than that of the old bridge. Therefore, the estimated annual maintenance cost was based on a hypothetical bridge designed, but not constructed...

33 CFR Appendix B to Part 277 - Hypothetical Example of Cost Apportionment

Code of Federal Regulations, 2011 CFR

2011-07-01

...) $165,489 I b. Fixed charges (owner's share) 284,460 II A fixed charge such as engineering, design and... new bridge is designed for increased loading and width greater than that of the old bridge. Therefore, the estimated annual maintenance cost was based on a hypothetical bridge designed, but not constructed...

33 CFR Appendix B to Part 277 - Hypothetical Example of Cost Apportionment

Code of Federal Regulations, 2012 CFR

2012-07-01

...) $165,489 I b. Fixed charges (owner's share) 284,460 II A fixed charge such as engineering, design and... new bridge is designed for increased loading and width greater than that of the old bridge. Therefore, the estimated annual maintenance cost was based on a hypothetical bridge designed, but not constructed...

Thin silicon layer SOI power device with linearly-distance fixed charge islands

NASA Astrophysics Data System (ADS)

Yuan, Zuo; Haiou, Li; Jianghui, Zhai; Ning, Tang; Shuxiang, Song; Qi, Li

2015-05-01

A new high-voltage LDMOS with linearly-distanced fixed charge islands is proposed (LFI LDMOS). A lot of linearly-distanced fixed charge islands are introduced by implanting the Cs or I ion into the buried oxide layer and dynamic holes are attracted and accumulated, which is crucial to enhance the electric field of the buried oxide and the vertical breakdown voltage. The surface electric field is improved by increasing the distance between two adjacent fixed charge islands from source to drain, which lead to the higher concentration of the drift region and a lower on-resistance. The numerical results indicate that the breakdown voltage of 500 V with Ld = 45 μm is obtained in the proposed device in comparison to 209 V of conventional LDMOS, while maintaining low on-resistance. Project supported by the Guangxi Natural Science Foundation of China (No. 2013GXNSFAA019335), the Guangxi Department of Education Project (No.201202ZD041), the China Postdoctoral Science Foundation Project (Nos. 2012M521127, 2013T60566), and the National Natural Science Foundation of China (Nos. 61361011, 61274077, 61464003).

Conformal Dimensions via Large Charge Expansion

NASA Astrophysics Data System (ADS)

Banerjee, Debasish; Chandrasekharan, Shailesh; Orlando, Domenico

2018-02-01

We construct an efficient Monte Carlo algorithm that overcomes the severe signal-to-noise ratio problems and helps us to accurately compute the conformal dimensions of large-Q fields at the Wilson-Fisher fixed point in the O (2 ) universality class. Using it, we verify a recent proposal that conformal dimensions of strongly coupled conformal field theories with a global U (1 ) charge can be obtained via a series expansion in the inverse charge 1 /Q . We find that the conformal dimensions of the lowest operator with a fixed charge Q are almost entirely determined by the first few terms in the series.

Conformal Dimensions via Large Charge Expansion.

PubMed

Banerjee, Debasish; Chandrasekharan, Shailesh; Orlando, Domenico

2018-02-09

We construct an efficient Monte Carlo algorithm that overcomes the severe signal-to-noise ratio problems and helps us to accurately compute the conformal dimensions of large-Q fields at the Wilson-Fisher fixed point in the O(2) universality class. Using it, we verify a recent proposal that conformal dimensions of strongly coupled conformal field theories with a global U(1) charge can be obtained via a series expansion in the inverse charge 1/Q. We find that the conformal dimensions of the lowest operator with a fixed charge Q are almost entirely determined by the first few terms in the series.

Management of long span partially edentulous maxilla with fixed removable denture prosthesis

PubMed Central

Jeyavalan, Mahilan I.; Narasimman, M.; Venkatakrishnan, C. J.; Philip, Jacob M.

2012-01-01

Restoration of a long span partially edentulous maxilla with tooth supported prosthesis is challenging because of inherent anatomic limitations and unfavourable biomechanics present after the loss of teeth. A tooth supported fixed-removable prosthesis is a treatment option for restoration of such long span partially edentulous maxillary arches. This prosthesis meets the requirements for esthetics, phonetics, comfort, and hygiene, as well as favourable biomechanical stress distribution to the remaining natural tooth abutments. This article presents a procedure for fabrication of a fixed-removable prosthesis that has cement-retained custom cast bar metal substructure and a ball attachment retained removable superstructure prosthesis. PMID:23293488

Management of long span partially edentulous maxilla with fixed removable denture prosthesis.

PubMed

Jeyavalan, Mahilan I; Narasimman, M; Venkatakrishnan, C J; Philip, Jacob M

2012-07-01

Restoration of a long span partially edentulous maxilla with tooth supported prosthesis is challenging because of inherent anatomic limitations and unfavourable biomechanics present after the loss of teeth. A tooth supported fixed-removable prosthesis is a treatment option for restoration of such long span partially edentulous maxillary arches. This prosthesis meets the requirements for esthetics, phonetics, comfort, and hygiene, as well as favourable biomechanical stress distribution to the remaining natural tooth abutments. This article presents a procedure for fabrication of a fixed-removable prosthesis that has cement-retained custom cast bar metal substructure and a ball attachment retained removable superstructure prosthesis.

17 CFR 229.503 - (Item 503) Prospectus summary, risk factors, and ratio of earnings to fixed charges.

Code of Federal Regulations, 2011 CFR

2011-04-01

..., risk factors, and ratio of earnings to fixed charges. 229.503 Section 229.503 Commodity and Securities... Registration Statement and Prospectus Provisions § 229.503 (Item 503) Prospectus summary, risk factors, and... executive offices. (c) Risk factors. Where appropriate, provide under the caption “Risk Factors” a...

17 CFR 229.503 - (Item 503) Prospectus summary, risk factors, and ratio of earnings to fixed charges.

Code of Federal Regulations, 2010 CFR

2010-04-01

..., risk factors, and ratio of earnings to fixed charges. 229.503 Section 229.503 Commodity and Securities... Registration Statement and Prospectus Provisions § 229.503 (Item 503) Prospectus summary, risk factors, and... executive offices. (c) Risk factors. Where appropriate, provide under the caption “Risk Factors” a...

Bistable mixed-valence molecular architectures for bit storage

NASA Astrophysics Data System (ADS)

Guihery, Nathalie; Durand, Gérard; Lepetit, Marie-Bernadette

1994-05-01

The work examines the possible realization of bit storage at the molecular scale using mixed valence compounds i.e. the existence of two stable and degenerate forms associated with the 0 and 1 positions of the bit. The proposed systems are constituted of two donors (D) and acceptor (A), or one donor and two acceptors, juxtaposed in DAD or ADA architectures. Our proposals take advantage of the possibility of donor—acceptor complexes to exhibit either complete or partial charge transfer. The first system we propose has an essentially neutral ground state. However, the potential energy surface (PES) presents two degenerated minima associated with a partial charge transfer between the donor and one of the two acceptor molecules (A δ-D δ+1 A and AD δ+ A δ-). Systems presenting a complete charge transfer give rise to two stable, weakly coupled, and degenerate ionic electronic states, A - A + A and AD + A - for an ADA architecture and D + A -D and DA -D + for a DAD In these cases, the two forms differ by both their intramolecular geometries and the relative positions of their constituents. It seems rather difficult to conceive such bistable molecular systems using closed-shell molecules, while a donor radical and a closed-shell acceptor or an acceptor radical and closed-shell donor can generate very stable ionic states. It is assumed that the relative positions of the donor and acceptor molecules can be fixed using chemical bridges constituted of rigid or flexible ligands. The writing and reading processes are discussed for each system as well as the information stability when a large number of bits are juxtaposed on a surface.

Biomechanical considerations on tooth-implant supported fixed partial dentures

PubMed Central

Calvani, Pasquale; Hirayama, Hiroshi

2012-01-01

This article discusses the connection of teeth to implants, in order to restore partial edentulism. The main problem arising from this connection is tooth intrusion, which can occur in up to 7.3% of the cases. The justification of this complication is being attempted through the perspective of biomechanics of the involved anatomical structures, that is, the periodontal ligament and the bone, as well as that of the teeth- and implant-supported fixed partial dentures. PMID:23255882

Electric potential calculation in molecular simulation of electric double layer capacitors

NASA Astrophysics Data System (ADS)

Wang, Zhenxing; Olmsted, David L.; Asta, Mark; Laird, Brian B.

2016-11-01

For the molecular simulation of electric double layer capacitors (EDLCs), a number of methods have been proposed and implemented to determine the one-dimensional electric potential profile between the two electrodes at a fixed potential difference. In this work, we compare several of these methods for a model LiClO4-acetonitrile/graphite EDLC simulated using both the traditional fixed-charged method (FCM), in which a fixed charge is assigned a priori to the electrode atoms, or the recently developed constant potential method (CPM) (2007 J. Chem. Phys. 126 084704), where the electrode charges are allowed to fluctuate to keep the potential fixed. Based on an analysis of the full three-dimensional electric potential field, we suggest a method for determining the averaged one-dimensional electric potential profile that can be applied to both the FCM and CPM simulations. Compared to traditional methods based on numerically solving the one-dimensional Poisson’s equation, this method yields better accuracy and no supplemental assumptions.

Fixed point theorems for generalized contractions in ordered metric spaces

NASA Astrophysics Data System (ADS)

O'Regan, Donal; Petrusel, Adrian

2008-05-01

The purpose of this paper is to present some fixed point results for self-generalized contractions in ordered metric spaces. Our results generalize and extend some recent results of A.C.M. Ran, M.C. Reurings [A.C.M. Ran, MEC. Reurings, A fixed point theorem in partially ordered sets and some applications to matrix equations, Proc. Amer. Math. Soc. 132 (2004) 1435-1443], J.J. Nieto, R. Rodríguez-López [J.J. Nieto, R. Rodríguez-López, Contractive mapping theorems in partially ordered sets and applications to ordinary differential equations, Order 22 (2005) 223-239; J.J. Nieto, R. Rodríguez-López, Existence and uniqueness of fixed points in partially ordered sets and applications to ordinary differential equations, Acta Math. Sin. (Engl. Ser.) 23 (2007) 2205-2212], J.J. Nieto, R.L. Pouso, R. Rodríguez-López [J.J. Nieto, R.L. Pouso, R. Rodríguez-López, Fixed point theorem theorems in ordered abstract sets, Proc. Amer. Math. Soc. 135 (2007) 2505-2517], A. Petrusel, I.A. Rus [A. Petrusel, I.A. Rus, Fixed point theorems in ordered L-spaces, Proc. Amer. Math. Soc. 134 (2006) 411-418] and R.P. Agarwal, M.A. El-Gebeily, D. O'Regan [R.P. Agarwal, M.A. El-Gebeily, D. O'Regan, Generalized contractions in partially ordered metric spaces, Appl. Anal., in press]. As applications, existence and uniqueness results for Fredholm and Volterra type integral equations are given.

A System Approach to Navy Medical Education and Training. Appendix 44. Competency Curriculum for Dental Assistant.

DTIC Science & Technology

1974-08-31

Prosthodontic Appliances - Partial Dentures .... ....... ....... .... 59 2. Removable Prosthodontic Appliances - Full Dentures ..... ........... . 60 3...PROCEDURES I This unit includes the following Modules: Number Title Page 1 Removable Prosthodontic Appliances - Partial Dentures 59. ......... ...... 2...Removable Prostbodontic Appliances - Full Dentures ..... ...... a .. .. .. . 60 3 Fixed Prosthodontic Appliances - Fixed Bridge. . 61 4 Mouthquard

Dielectric boundary force and its crucial role in gramicidin

NASA Astrophysics Data System (ADS)

Nadler, Boaz; Hollerbach, Uwe; Eisenberg, R. S.

2003-08-01

In an electrostatic problem with nonuniform geometry, a charge Q in one region induces surface charges [called dielectric boundary charges (DBC)] at boundaries between different dielectrics. These induced surface charges, in return, exert a force [called dielectric boundary force (DBF)] on the charge Q that induced them. The DBF is often overlooked. It is not present in standard continuum theories of (point) ions in or near membranes and proteins, such as Gouy-Chapman, Debye-Huckel, Poisson-Boltzmann or Poisson-Nernst- Planck. The DBF is important when a charge Q is near dielectric interfaces, for example, when ions permeate through protein channels embedded in biological membranes. In this paper, we define the DBF and calculate it explicitly for a planar dielectric wall and for a tunnel geometry resembling the ionic channel gramicidin. In general, we formulate the DBF in a form useful for continuum theories, namely, as a solution of a partial differential equation with boundary conditions. The DBF plays a crucial role in the permeation of ions through the gramicidin channel. A positive ion in the channel produces a DBF of opposite sign to that of the fixed charge force (FCF) produced by the permanent charge of the gramicidin polypeptide, and so the net force on the positive ion is reduced. A negative ion creates a DBF of the same sign as the FCF and so the net (repulsive) force on the negative ion is increased. Thus, a positive ion can permeate the channel, while a negative ion is excluded from it. In gramicidin, it is this balance between the FCF and DBF that allows only singly charged positive ions to move into and through the channel. The DBF is not directly responsible, however, for selectivity between the alkali metal ions (e.g., Li+, Na+, K+): we prove that the DBF on a mobile spherical ion is independent of the ion’s radius.

Fixed Point Results of Locally Contractive Mappings in Ordered Quasi-Partial Metric Spaces

PubMed Central

Arshad, Muhammad; Ahmad, Jamshaid

2013-01-01

Fixed point results for a self-map satisfying locally contractive conditions on a closed ball in an ordered 0-complete quasi-partial metric space have been established. Instead of monotone mapping, the notion of dominated mappings is applied. We have used weaker metric, weaker contractive conditions, and weaker restrictions to obtain unique fixed points. An example is given which shows that how this result can be used when the corresponding results cannot. Our results generalize, extend, and improve several well-known conventional results. PMID:24062629

Nanomechanics of layer-by-layer polyelectrolyte complexes: a manifestation of ionic cross-links and fixed charges.

PubMed

Han, Biao; Chery, Daphney R; Yin, Jie; Lu, X Lucas; Lee, Daeyeon; Han, Lin

2016-01-28

This study investigates the roles of two distinct features of ionically cross-linked polyelectrolyte networks - ionic cross-links and fixed charges - in determining their nanomechanical properties. The layer-by-layer assembled poly(allylamine hydrochloride)/poly(acrylic acid) (PAH/PAA) network is used as the model material. The densities of ionic cross-links and fixed charges are modulated through solution pH and ionic strength (IS), and the swelling ratio, elastic and viscoelastic properties are quantified via an array of atomic force microscopy (AFM)-based nanomechanical tools. The roles of ionic cross-links are underscored by the distinctive elastic and viscoelastic nanomechanical characters observed here. First, as ionic cross-links are highly sensitive to solution conditions, the instantaneous modulus, E0, exhibits orders-of-magnitude changes upon pH- and IS-governed swelling, distinctive from the rubber elasticity prediction based on permanent covalent cross-links. Second, ionic cross-links can break and self-re-form, and this mechanism dominates force relaxation of PAH/PAA under a constant indentation depth. In most states, the degree of relaxation is >90%, independent of ionic cross-link density. The importance of fixed charges is highlighted by the unexpectedly more elastic nature of the network despite low ionic cross-link density at pH 2.0, IS 0.01 M. Here, the complex is a net charged, loosely cross-linked, where the degree of relaxation is attenuated to ≈50% due to increased elastic contribution arising from fixed charge-induced Donnan osmotic pressure. In addition, this study develops a new method for quantifying the thickness of highly swollen polymer hydrogel films. It also underscores important technical considerations when performing nanomechanical tests on highly rate-dependent polymer hydrogel networks. These results provide new insights into the nanomechanical characters of ionic polyelectrolyte complexes, and lay the ground for further investigation of their unique time-dependent properties.

Pulse shape discrimination based on fast signals from silicon photomultipliers

NASA Astrophysics Data System (ADS)

Yu, Junhao; Wei, Zhiyong; Fang, Meihua; Zhang, Zixia; Cheng, Can; Wang, Yi; Su, Huiwen; Ran, Youquan; Zhu, Qingwei; Zhang, He; Duan, Kai; Chen, Ming; Liu, Meng

2018-06-01

Recent developments in organic plastic scintillators capable of pulse shape discrimination (PSD) enable a breakthrough in discrimination between neutrons and gammas. Plastic scintillator detectors coupled with silicon photomultipliers (SiPMs) offer many advantages, such as lower power consumption, smaller volume, and especially insensitivity to magnetic fields, compared with conventional photomultiplier tubes (PMTs). A SensL SiPM has two outputs: a standard output and a fast output. It is known that the charge injected into the fast output electrode is typically approximately 2% of the total charge generated during the avalanche, whereas the charge injected into the standard output electrode is nearly 98% of the total. Fast signals from SiPMs exhibit better performance in terms of timing and time-correlated measurements compared with standard signals. The pulse duration of a standard signal is on the order of hundreds of nanoseconds, whereas the pulse duration of the main monopole waveform of a fast signal is a few tens of nanoseconds. Fast signals are traditionally thought to be suitable for photon counting at very high speeds but unsuitable for PSD due to the partial charge collection. Meanwhile, the standard outputs of SiPMs coupled with discriminating scintillators have yielded nice PSD performances, but there have been no reports on PSD using fast signals. Our analysis shows that fast signals can also provide discrimination if the rate of charge injection into the fast output electrode is fixed for each event, even though only a portion of the charge is collected. In this work, we achieved successful PSD using fast signals; meanwhile, using a coincidence timing window of less 3 nanoseconds between the readouts from both ends of the detector reduced the influence of the high SiPM dark current. We experimentally achieved good timing performance and PSD capability simultaneously.

Dental Laboratory Career Ladder (AFSC 4Y1X1)

DTIC Science & Technology

1994-08-01

analysis identified one job cluster and seven jobs: Base Dental Lab cluster, Orthodontic Appliance Fabricator job, Fixed Restoration Fabricator job, Crown...reline and repair, removable partial denture construction, crown and fixed partial denture construction, fabrication of orthodontic appliances, and...specialized prostheses. Preventive maintenance and safety precautions for dental laboratory equipment are also stressed . Entry into the career ladder

Maxwell's conjecture on three point charges with equal magnitudes

NASA Astrophysics Data System (ADS)

Tsai, Ya-Lun

2015-08-01

Maxwell's conjecture on three point charges states that the number of non-degenerate equilibrium points of the electrostatic field generated by them in R3 is at most four. We prove the conjecture in the cases when three point charges have equal magnitudes and show the number of isolated equilibrium points can only be zero, two, three, or four. Specifically, fixing positions of two positive charges in R3, we know exactly where to place the third positive charge to have two, three, or four equilibrium points. All equilibrium points are isolated and there are no other possibilities for the number of isolated equilibrium points. On the other hand, if both two of the fixed charges have negative charge values, there are always two equilibrium points except when the third positive charge lies in the line segment connecting the two negative charges. The exception cases are when the field contains only a curve of equilibrium points. In this paper, computations assisted by computer involve symbolic and exact integer computations. Therefore, all the results are proved rigorously.

Frequency-Dependent Capacitance of Hydrophobic Membranes Containing Fixed Negative Charges

PubMed Central

Ilani, Asher

1968-01-01

Filters containing fixed negative charges were saturated with hydrophobic solvent and interposed between aqueous solutions. The capacitance of such membranes was measured in the frequency range of 0.05-30 kc. The capacitance increased with decrease in frequency. The frequency dependence of the capacitance was sensitive to nature of the cation present and to salt concentration in the aqueous solution. It is suggested that variation of membrane resistivity in the space charge region of the membrane is responsible for this phenomenon. Possible effects of the potential and counterion concentration profiles at the membrane-water interface are discussed. PMID:5699796

Using CAD/CAM technology to create a 10-unit zirconia fixed partial denture--a UTHSCSA dental school case report.

PubMed

Zimmermann, Richard; Seitz, Stefanie; Magness, Brent; Wieck, Blaine

2013-10-01

From diagnosis and treatment planning to the materials being used, technology is changing dentistry. New materials are providing dentists greater options for treatment, while technology is streamlining the workflow in the office and dental laboratory. Traditionally the creation of a long-span fixed partial denture was a labor intense project--from waxing up the prosthesis--to stacking of the porecelain. For larger frameworks, it was recommended for the dentist to bring in the patient in for a framework try-in. However, advances in both CAD/CAM technology and dental materials are revolutionizing the way dentistry is being done. The following describes the fabrication of a 10-unit full contour zirconia fixed partial denture completed in the pre-doctorate program at UTHSCSA Dental School.

Consideration of Cost of Care in Pediatric Emergency Transfer-An Opportunity for Improvement.

PubMed

Gattu, Rajender K; De Fee, Ann-Sophie; Lichenstein, Richard; Teshome, Getachew

2017-05-01

Pediatric interhospital transfers are an economic burden to the health care, especially when deemed unnecessary. Physicians may be unaware of the cost implications of pediatric emergency transfers. A cost analysis may be relevant to reduce cost. To characterize children transferred from outlying emergency departments (EDs) to pediatric ED (PED) with a specific focus on transfers who were discharged home in 12 hours or less after transfer without intervention in PED and analyze charges associated with them. Charts of 352 patients (age, 0-18 years) transferred from 31 outlying EDs to PED during July 2009 to June 2010 were reviewed. Data were collected on the range, unit charge and volume of services provided in PED, length of stay, and final disposition. The average charge per patient transfer is calculated based on unit charge times total service units per 1000 patients per year and divided by 1000. Hospital charges were divided into fixed and variable. Of 352 patients transferred, 108 (30.7%) were admitted to pediatric inpatient service, 42 (11.9%) to intensive care; 36 (10.2%) went to the operating room, and 166 (47.2%) were discharged home. The average hospital charge per transfer was US $4843. Most (89%) of the charges were fixed, and 11% were variable. One hundred one (28.7%) patients were discharged home from PED in 12 hours or less without intervention. The hospital charges for these transfers were US $489,143. Significant number of transfers was discharged 12 hours or less without any additional intervention in PED. Fixed charges contribute to majority of total charges. Cost saving can be achieved by preventing unnecessary transfer.

Thermal stability of atomic layer deposition Al2O3 film on HgCdTe

NASA Astrophysics Data System (ADS)

Zhang, P.; Sun, C. H.; Zhang, Y.; Chen, X.; He, K.; Chen, Y. Y.; Ye, Z. H.

2015-06-01

Thermal stability of Atomic Layer Deposition Al2O3 film on HgCdTe was investigated by Al2O3 film post-deposition annealing treatment and Metal-Insulator-Semiconductor device low-temperature baking treatment. The effectiveness of Al2O3 film was evaluated by measuring the minority carrier lifetime and capacitance versus voltage characteristics. After annealing treatment, the minority carrier lifetime of the HgCdTe sample presented a slight decrease. Furthermore, the fixed charge density and the slow charge density decreased significantly in the annealed MIS device. After baking treatment, the fixed charge density and the slow charge density of the unannealed and annealed MIS devices decreased and increased, respectively.

Democratic Superstring Field Theory and Its Gauge Fixing

NASA Astrophysics Data System (ADS)

Kroyter, M.

This work is my contribution to the proceedings of the conference``SFT2010 -- the third international conference on string field theory and related topics'' and it reflects my talk there, which described the democratic string field theory and its gauge fixing. The democratic string field theory is the only fully RNS string field theory to date. It lives in the large Hilbert space and includes all picture numbers. Picture changing amounts in this formalism to a gauge transformation. We describe the theory and its properties and show that when partially gauge fixed it can be reduced to the modified theory and to the non-polynomial theory. In the latter case we can even include the Ramond sector in the picture-fixed action. We also show that another partial gauge-fixing leads to a new consistent string field theory at picture number -1.

MODELING PARTICULATE CHARGING IN ESPS

EPA Science Inventory

In electrostatic precipitators there is a strong interaction between the particulate space charge and the operating voltage and current of an electrical section. Calculating either the space charge or the operating point when the other is fixed is not difficult, but calculating b...

Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes

DOE PAGES

Wang, Bo; Li, Shaohong L.; Truhlar, Donald G.

2014-10-30

Partial atomic charges are widely used for the description of charge distributions of molecules and solids. These charges are useful to indicate the extent of charge transfer and charge flow during chemical reactions in batteries, fuel cells, and catalysts and to characterize charge distributions in capacitors, liquid-phase electrolytes, and solids and at electrochemical interfaces. However, partial atomic charges given by various charge models differ significantly, especially for systems containing metal atoms. In the present study, we have compared various charge models on both molecular systems and extended systems, including Hirshfeld, CM5, MK, ChElPG, Mulliken, MBS, NPA, DDEC, LoProp, and Badermore » charges. Their merits and drawbacks are compared. The CM5 charge model is found to perform well on the molecular systems, with a mean unsigned percentage deviation of only 9% for the dipole moments. We therefore formulated it for extended systems and applied it to study charge flow during the delithiation process in lithium-containing oxides used as cathodes. Our calculations show that the charges given by the CM5 charge model are reasonable and that during the delithiation process, the charge flow can occur not only on the transition metal but also on the anions. The oxygen atoms can lose a significant density of electrons, especially for deeply delithiated materials. We also discuss other methods in current use to analyze the charge transfer and charge flow in batteries, in particular the use of formal charge, spin density, and orbital occupancy. Here, we conclude that CM5 charges provide useful information in describing charge distributions in various materials and are very promising for the study of charge transfer and charge flows in both molecules and solids.« less

Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes.

PubMed

Wang, Bo; Li, Shaohong L; Truhlar, Donald G

2014-12-09

Partial atomic charges are widely used for the description of charge distributions of molecules and solids. These charges are useful to indicate the extent of charge transfer and charge flow during chemical reactions in batteries, fuel cells, and catalysts and to characterize charge distributions in capacitors, liquid-phase electrolytes, and solids and at electrochemical interfaces. However, partial atomic charges given by various charge models differ significantly, especially for systems containing metal atoms. In the present study, we have compared various charge models on both molecular systems and extended systems, including Hirshfeld, CM5, MK, ChElPG, Mulliken, MBS, NPA, DDEC, LoProp, and Bader charges. Their merits and drawbacks are compared. The CM5 charge model is found to perform well on the molecular systems, with a mean unsigned percentage deviation of only 9% for the dipole moments. We therefore formulated it for extended systems and applied it to study charge flow during the delithiation process in lithium-containing oxides used as cathodes. Our calculations show that the charges given by the CM5 charge model are reasonable and that during the delithiation process, the charge flow can occur not only on the transition metal but also on the anions. The oxygen atoms can lose a significant density of electrons, especially for deeply delithiated materials. We also discuss other methods in current use to analyze the charge transfer and charge flow in batteries, in particular the use of formal charge, spin density, and orbital occupancy. We conclude that CM5 charges provide useful information in describing charge distributions in various materials and are very promising for the study of charge transfer and charge flows in both molecules and solids.

Impact of Alternative Rate Structures on Distributed Solar Customer Electricity Bills

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

McLaren, Joyce A

Electric utilities are increasingly proposing changes to residential rate structures, in order to address concerns about their inability to recover fixed system costs from customers with grid connected distributed generation. The most common proposals have been to increase fixed charges, set minimum bills or instigate residential demand charges. This presentation provides results of an analysis to explore how these rate design alternatives impact electricity bills for PV and non-PV customers.

Prediction of octanol-water partition coefficients of organic compounds by multiple linear regression, partial least squares, and artificial neural network.

PubMed

Golmohammadi, Hassan

2009-11-30

A quantitative structure-property relationship (QSPR) study was performed to develop models those relate the structure of 141 organic compounds to their octanol-water partition coefficients (log P(o/w)). A genetic algorithm was applied as a variable selection tool. Modeling of log P(o/w) of these compounds as a function of theoretically derived descriptors was established by multiple linear regression (MLR), partial least squares (PLS), and artificial neural network (ANN). The best selected descriptors that appear in the models are: atomic charge weighted partial positively charged surface area (PPSA-3), fractional atomic charge weighted partial positive surface area (FPSA-3), minimum atomic partial charge (Qmin), molecular volume (MV), total dipole moment of molecule (mu), maximum antibonding contribution of a molecule orbital in the molecule (MAC), and maximum free valency of a C atom in the molecule (MFV). The result obtained showed the ability of developed artificial neural network to prediction of partition coefficients of organic compounds. Also, the results revealed the superiority of ANN over the MLR and PLS models. Copyright 2009 Wiley Periodicals, Inc.

Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

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

Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.

Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conicalmore » intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D{sub 6h} Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D{sub 2} eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D{sub 1}, D{sub 2} (N{sup +}-Phenyl, N-Phenyl{sup +}). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled nuclear motion, one observes an oscillation of the spin density – charge migration – between the N atom and the phenyl ring with a period of 4 fs. When the nuclear motion becomes coupled, this oscillation persists in a damped form, followed by an effective charge transfer after 30 fs.« less

Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

NASA Astrophysics Data System (ADS)

Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.

2013-07-01

Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conical intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D6h Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D2 eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D1, D2 (N+-Phenyl, N-Phenyl+). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled nuclear motion, one observes an oscillation of the spin density - charge migration - between the N atom and the phenyl ring with a period of 4 fs. When the nuclear motion becomes coupled, this oscillation persists in a damped form, followed by an effective charge transfer after 30 fs.

Simulation of electric double-layer capacitors: evaluation of constant potential method

NASA Astrophysics Data System (ADS)

Wang, Zhenxing; Laird, Brian; Yang, Yang; Olmsted, David; Asta, Mark

2014-03-01

Atomistic simulations can play an important role in understanding electric double-layer capacitors (EDLCs) at a molecular level. In such simulations, typically the electrode surface is modeled using fixed surface charges, which ignores the charge fluctuation induced by local fluctuations in the electrolyte solution. In this work we evaluate an explicit treatment of charges, namely constant potential method (CPM)[1], in which the electrode charges are dynamically updated to maintain constant electrode potential. We employ a model system with a graphite electrode and a LiClO4/acetonitrile electrolyte, examined as a function of electrode potential differences. Using various molecular and macroscopic properties as metrics, we compare CPM simulations on this system to results using fixed surface charges. Specifically, results for predicted capacity, electric potential gradient and solvent density profile are identical between the two methods; However, ion density profiles and solvation structure yield significantly different results.

Determination of detonation parameters for liquid High Explosives

NASA Astrophysics Data System (ADS)

Mochalova, Valentina; Utkin, Alexander

2011-06-01

The experimental investigation of detonation parameters and reaction zone structure in liquid HE (bis-(2-fluoro-2,2-dinitroethyl)formal (FEFO), tetranitromethane (TNM), nitromethane (NM)) was conducted. Detonation front in TNM and NM was stable while the instability of detonation in FEFO was observed. Von Neumann spike was recorded for these HE and its parameters were determined. The different methods for C-J point determination were used for each HE. For FEFO reaction time τ was found from experiments with different charge diameters (τ is approximately equal to 300 ns); for TNM - at fixed diameter and different lengths of charges (τ ~ 200 ns); for NM - at fixed diameter and length of charges, but detonation initiation was carried out by different explosive charges (τ ~ 50 ns). It was found that in TNM the detonation velocity depends on charge diameter. Maximum value of reaction rate in investigated liquid HE was observed after shock jump and induction time was not recorded.

Determination of detonation parameters for liquid high explosives

NASA Astrophysics Data System (ADS)

Mochalova, Valentina; Utkin, Alexander

2012-03-01

The experimental investigation of detonation parameters and reaction zone structure in liquid HE (bis-(2-fluoro-2,2-dinitroethyl)formal (FEFO), tetranitromethane (TNM), nitromethane (NM)) was conducted by means of laser interferometer VISAR. Detonation front in TNM and NM was stable while the instability of detonation in FEFO was observed. The parameters of Von Neumann spike were determined for these HE. The different methods for C-J point determination were used for each HE. For FEFO reaction time t was found from experiments with different charge diameters (τ is approximately equal to 300 ns); for TNM - at fixed diameter and different lengths of charges (τ ≈ 200 ns); for NM - at fixed diameter and length of charges, but detonation initiation was carried out by different explosive charges (τ ≈ 50 ns). It was found that in TNM the detonation velocity depends on charge diameter. Maximum value of reaction rate in investigated liquid HE was observed after shock jump.

Resilient Attachments as an Alternative to Conventional Cast Clasp Removable Partial Denture: 3-Year Follow-up.

PubMed

Schuh, Cristian; Adiel Skupien, Jovito; Mesko, Mauro Elias; Valentini, Fernanda; Pereira-Cenci, Tatiana; Boscato, Noéli

2014-12-01

The present clinical report describes the prosthodontic management for a patient with uncontrolled bleeding and diabetes mellitus treated with a maxillary complete denture and a mandibular partial fixed dental prosthesis designed to interface with a removable cast framework partial denture retained by 2 ERA attachments. This approach was undertaken to improve both retention and stability of the distal extension Kennedy Class I removable partial denture. The rehabilitation provided better anterior esthetics than if treated with a conventional clasp retained removable partial denture, by employing a simple, practical design and offering a significant biomechanical advantages, restoring both oral health and function. Thus, this treatment modality, involving an ERA system and transfixation in fixed crowns, is an effective treatment and can be indicated as a clinical alternative for edentulous and partially edentulous patients with systemic disorders or for patients in economic situations that might preclude implant-based rehabilitation.

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

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

Sundararaman, Ravishankar; Goddard, III, William A.; Arias, Tomas A.

First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solvemore » the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Lastly, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.« less

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry.

PubMed

Sundararaman, Ravishankar; Goddard, William A; Arias, Tomas A

2017-03-21

First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Finally, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

DOE PAGES

Sundararaman, Ravishankar; Goddard, III, William A.; Arias, Tomas A.

2017-03-16

First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solvemore » the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Lastly, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.« less

A provisional fixed partial denture that simulates gingival tissue at the pontic-site defect.

PubMed

Haj-Ali, Reem; Walker, Mary P

2002-03-01

A technique is presented for the fabrication of an esthetic, provisional fixed partial denture that compensates for a pontic-site ridge defect. This provisional restoration enables both the dentist and the patient to evaluate whether this prosthetic approach will adequately camouflage the pontic-site defect or whether surgical correction of the pontic site should also be considered. Copyright 2002 by The American College of Prosthodontists.

Applying electric field to charged and polar particles between metallic plates: extension of the Ewald method.

PubMed

Takae, Kyohei; Onuki, Akira

2013-09-28

We develop an efficient Ewald method of molecular dynamics simulation for calculating the electrostatic interactions among charged and polar particles between parallel metallic plates, where we may apply an electric field with an arbitrary size. We use the fact that the potential from the surface charges is equivalent to the sum of those from image charges and dipoles located outside the cell. We present simulation results on boundary effects of charged and polar fluids, formation of ionic crystals, and formation of dipole chains, where the applied field and the image interaction are crucial. For polar fluids, we find a large deviation of the classical Lorentz-field relation between the local field and the applied field due to pair correlations along the applied field. As general aspects, we clarify the difference between the potential-fixed and the charge-fixed boundary conditions and examine the relationship between the discrete particle description and the continuum electrostatics.

Payload charging events in the mesosphere and their impact on Langmuir type electric probes

NASA Astrophysics Data System (ADS)

Bekkeng, T. A.; Barjatya, A.; Hoppe, U.-P.; Pedersen, A.; Moen, J. I.; Friedrich, M.; Rapp, M.

2013-02-01

Three sounding rockets were launched from Andøya Rocket Range in the ECOMA campaign in December 2010. The aim was to study the evolution of meteoric smoke particles during a major meteor shower. Of the various instruments onboard the rocket payload, this paper presents the data from a multi-Needle Langmuir Probe (m-NLP) and a charged dust detector. The payload floating potential, as observed using the m-NLP instrument, shows charging events on two of the three flights. These charging events cannot be explained using a simple charging model, and have implications towards the use of fixed bias Langmuir probes on sounding rockets investigating mesospheric altitudes. We show that for a reliable use of a single fixed bias Langmuir probe as a high spatial resolution relative density measurement, each payload should also carry an additional instrument to measure payload floating potential, and an instrument that is immune to spacecraft charging and measures absolute plasma density.

Comparison of RESP and IPolQ-Mod Partial Charges for Solvation Free Energy Calculations of Various Solute/Solvent Pairs.

PubMed

Mecklenfeld, Andreas; Raabe, Gabriele

2017-12-12

The calculation of solvation free energies ΔG solv by molecular simulations is of great interest as they are linked to other physical properties such as relative solubility, partition coefficient, and activity coefficient. However, shortcomings in molecular models can lead to ΔG solv deviations from experimental data. Various studies have demonstrated the impact of partial charges on free energy results. Consequently, calculation methods for partial charges aimed at more accurate ΔG solv predictions are the subject of various studies in the literature. Here we compare two methods to derive partial charges for the general AMBER force field (GAFF), i.e. the default RESP as well as the physically motivated IPolQ-Mod method that implicitly accounts for polarization costs. We study 29 solutes which include characteristic functional groups of drug-like molecules, and 12 diverse solvents were examined. In total, we consider 107 solute/solvent pairs including two water models TIP3P and TIP4P/2005. Comparison with experimental results yields better agreement for TIP3P, regardless of the partial charge scheme. The overall performance of GAFF/RESP and GAFF/IPolQ-Mod is similar, though specific shortcomings in the description of ΔG solv for both RESP and IPolQ-Mod can be identified. However, the high correlation between free energies obtained with GAFF/RESP and GAFF/IPolQ-Mod demonstrates the compatibility between the modified charges and remaining GAFF parameters.

New scheme for color confinement and violation of the non-Abelian Bianchi identities

NASA Astrophysics Data System (ADS)

Suzuki, Tsuneo; Ishiguro, Katsuya; Bornyakov, Vitaly

2018-02-01

A new scheme for color confinement in QCD due to violation of the non-Abelian Bianchi identities is proposed. The violation of the non-Abelian Bianchi identities (VNABI) Jμ is equal to Abelian-like monopole currents kμ defined by the violation of the Abelian-like Bianchi identities. Although VNABI is an adjoint operator satisfying the covariant conservation law DμJμ=0 , it satisfies, at the same time, the Abelian-like conservation law ∂μJμ=0 . The Abelian-like conservation law ∂μJμ=0 is also gauge-covariant. There are N2-1 conserved magnetic charges in the case of color S U (N ). The charge of each component of VNABI is quantized à la Dirac. The color-invariant eigenvalues λμ of VNABI also satisfy the Abelian conservation law ∂μλμ=0 and the magnetic charges of the eigenvalues are also quantized à la Dirac. If the color invariant eigenvalues condense in the QCD vacuum, each color component of the non-Abelian electric field Ea is squeezed by the corresponding color component of the solenoidal current Jμa. Then only the color singlets alone can survive as a physical state and non-Abelian color confinement is realized. This confinement picture is completely new in comparison with the previously studied monopole confinement scenario based on an Abelian projection after some partial gauge-fixing, where Abelian neutral states can survive as physical. To check if the scenario is realized in nature, numerical studies are done in the framework of lattice field theory by adopting pure S U (2 ) gauge theory for simplicity. Considering Jμ(x )=kμ(x ) in the continuum formulation, we adopt an Abelian-like definition of a monopole following DeGrand-Toussaint as a lattice version of VNABI, since the Dirac quantization condition of the magnetic charge is satisfied on lattice partially. To reduce severe lattice artifacts, we introduce various techniques of smoothing the thermalized vacuum. Smooth gauge fixings such as the maximal center gauge (MCG), block-spin transformations of Abelian-like monopoles and extraction of physically important infrared long monopole loops are adopted. We also employ the tree-level tadpole improved gauge action of S U (2 ) gluodynamics. With these various improvements, we measure the density of lattice VNABI: ρ (a (β ),n )=∑ μ ,sn √{∑ a (kμa(sn))2 }/(4 √{3 }Vnb3) , where kμa(sn) is an n blocked monopole in the color direction a , n is the number of blocking steps, Vn=V /n4 (b =n a (β )) is the lattice volume (spacing) of the blocked lattice. Beautiful and convincing scaling behaviors are seen when we plot the density ρ (a (β ),n ) versus b =n a (β ). A single universal curve ρ (b ) is found from n =1 to n =12 , which suggests that ρ (a (β ),n ) is a function of b =n a (β ) alone. The universal curve seems independent of a gauge fixing procedure used to smooth the lattice vacuum since the scaling is obtained in all gauges adopted. The scaling, if it exists also for n →∞ , shows that the lattice definition of VNABI has the continuum limit and the new confinement scenario is realized.

Quantum Chemical Topology: Knowledgeable atoms in peptides

NASA Astrophysics Data System (ADS)

Popelier, Paul L. A.

2012-06-01

The need to improve atomistic biomolecular force fields remains acute. Fortunately, the abundance of contemporary computing power enables an overhaul of the architecture of current force fields, which typically base their electrostatics on fixed atomic partial charges. We discuss the principles behind the electrostatics of a more realistic force field under construction, called QCTFF. At the heart of QCTFF lies the so-called topological atom, which is a malleable box, whose shape and electrostatics changes in response to a changing environment. This response is captured by a machine learning method called Kriging. Kriging directly predicts each multipole moment of a given atom (i.e. the output) from the coordinates of the nuclei surrounding this atom (i.e. the input). This procedure yields accurate interatomic electrostatic energies, which form the basis for future-proof progress in force field design.

Electronic structure and partial charge distribution of doxorubicin under different molecular environments

NASA Astrophysics Data System (ADS)

Poudel, Lokendra

Doxorubicin (trade name Adriamycin, abbreviated DOX) is a well-known an- thracyclic chemotherapeutic used in treating a variety of cancers including acute leukemia, lymphoma, multiple myeloma, and a range of stomach, lung, bladder, bone, breast, and ovarian cancers. The purpose of the present work is to study electronic structure, partial charge distribution and interaction energy of DOX under different environments. It provides a framework for better understanding of bioactivity of DOX with DNA. While in this work, we focus on DOX -- DNA interactions; the obtained knowledge could be translated to other drug -- target interactions or biomolecular interactions. The electronic structure and partial charge distribution of DOX in three dierent molecular environments: isolated, solvated, and intercalated into a DNA complex,were studied by rst principles density functional methods. It is shown that the addition of solvating water molecules to DOX and the proximity and interaction with DNA has a signicant impact on the electronic structure as well as the partial charge distribution. The calculated total partial charges for DOX in the three models are 0.0, +0.123 and -0.06 electrons for the isolated, solvated, and intercalated state, respectively. Furthermore, by using the more accurate ab initio partial charge values on every atom in the models, signicant improvement in estimating the DOX-DNA interaction energy is obtained in conjunction with the NAnoscale Molecular Dynamics (NAMD) code. The electronic structure of the DOX-DNA is further elucidated by resolving the total density of states (TDOS) into dierent functional groups of DOX, DNA, water, co-crystallized Spermine molecule, and Na ions. The surface partial charge distribution in the DOX-DNA is calculated and displayed graphically. We conclude that the presence of the solvent as well as the details of the interaction geometry matter greatly in the determination of the stability of the DOX complexion. Ab initio calculations on realistic models are an important step towards a more accurate description of biomolecular interaction and in the eventual understanding of long-range interactions in biomolecular systems.

An optical coherence tomography investigation of materials defects in ceramic fixed partial dental prostheses

NASA Astrophysics Data System (ADS)

Sinescu, Cosmin; Negrutiu, Meda; Hughes, Michael; Bradu, Adrian; Todea, Carmen; Rominu, Mihai; Laissue, Philippe L.; Podoleanu, Adrian Gh.

2008-04-01

Metal ceramic and integral ceramic fixed partial prostheses are mainly used in the frontal part of the dental arch because for esthetics reasons. The masticatory stress may induce fractures of the bridges. There are several factors that are associated with the stress state created in ceramic restorations, including: thickness of ceramic layers, mechanical properties of the materials, elastic modulus of the supporting substrate material, direction, magnitude and frequency of applied load, size and location of occlusal contact areas, residual stresses induced by processing or pores, restoration-cement interfacial defects and environmental defects. The fractures of these bridges lead to functional, esthetic and phonetic disturbances which finally render the prosthetic treatment inefficient. The purpose of this study is to evaluate the capability of optical coherence tomography (OCT) in detection and analysis of possible material defects in metal-ceramic and integral ceramic fixed partial dentures.

42 CFR 489.32 - Allowable charges: Noncovered and partially covered services.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 42 Public Health 5 2011-10-01 2011-10-01 false Allowable charges: Noncovered and partially covered services. 489.32 Section 489.32 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) STANDARDS AND CERTIFICATION PROVIDER AGREEMENTS AND SUPPLIER...

42 CFR 489.32 - Allowable charges: Noncovered and partially covered services.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Allowable charges: Noncovered and partially covered services. 489.32 Section 489.32 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) STANDARDS AND CERTIFICATION PROVIDER AGREEMENTS AND SUPPLIER...

Fixed interface charges between AlGaN barrier and gate stack composed of in situ grown SiN and Al{sub 2}O{sub 3} in AlGaN/GaN high electron mobility transistors with normally off capability

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

Capriotti, M., E-mail: mattia.capriotti@tuwien.ac.at; Alexewicz, A.; Fleury, C.

2014-03-17

Using a generalized extraction method, the fixed charge density N{sub int} at the interface between in situ deposited SiN and 5 nm thick AlGaN barrier is evaluated by measurements of threshold voltage V{sub th} of an AlGaN/GaN metal insulator semiconductor high electron mobility transistor as a function of SiN thickness. The thickness of the originally deposited 50 nm thick SiN layer is reduced by dry etching. The extracted N{sub int} is in the order of the AlGaN polarization charge density. The total removal of the in situ SiN cap leads to a complete depletion of the channel region resulting in V{sub th} = +1 V.more » Fabrication of a gate stack with Al{sub 2}O{sub 3} as a second cap layer, deposited on top of the in situ SiN, is not introducing additional fixed charges at the SiN/Al{sub 2}O{sub 3} interface.« less

Effect of low thermal budget annealing on surface passivation of silicon by ALD based aluminum oxide films.

PubMed

Vandana; Batra, Neha; Gope, Jhuma; Singh, Rajbir; Panigrahi, Jagannath; Tyagi, Sanjay; Pathi, P; Srivastava, S K; Rauthan, C M S; Singh, P K

2014-10-21

Thermal ALD deposited Al2O3 films on silicon show a marked difference in surface passivation quality as a function of annealing time (using a rapid thermal process). An effective and quality passivation is realized in short anneal duration (∼100 s) in nitrogen ambient which is reflected in the low surface recombination velocity (SRV <10 cm s(-1)). The deduced values are close to the best reported SRV obtained by the high thermal budget process (with annealing time between 10-30 min), conventionally used for improved surface passivation. Both as-deposited and low thermal budget annealed films show the presence of positive fixed charges and this is never been reported in the literature before. The role of field and chemical passivation is investigated in terms of fixed charge and interface defect densities. Further, the importance of the annealing step sequence in the MIS structure fabrication protocol is also investigated from the view point of its effect on the nature of fixed charges.

Phase-field modeling of chemical control of polarization stability and switching dynamics in ferroelectric thin films

DOE PAGES

Cao, Ye; Kalinin, Sergei V.

2016-12-15

Phase-field simulation (PFS) has revolutionized the understanding of domain structure and switching behavior in ferroelectric thin films and ceramics. Generally, PFS is based on the solution of (a set of) Landau-Ginzburg-Devonshire equations for a defined order parameter field(s) under physical boundary conditions (BCs) of fixed potential or charge. While well matched to the interfaces in bulk materials and devices, these BCs are generally not applicable to free ferroelectric surfaces. Here, we developed a self-consistent phase-field model with BCs based on electrochemical equilibria. We chose Pb(Zr 0.2Ti 0.8)O 3 ultrathin film consisting of (001) oriented single tetragonal domain ( Pz) asmore » a model system and systematically studied the effects of oxygen partial pressure, temperature, and surface ions on the ferroelectric state and compared it with the case of complete screening. We have further explored the polarization switching induced by the oxygen partial pressure and observed pronounced size effect induced by chemical screening. Finally, our paper thus helps to understand the emergent phenomena in ferroelectric thin films brought about by the electrochemical ionic surface compensations.« less

Phase-field modeling of chemical control of polarization stability and switching dynamics in ferroelectric thin films

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

Cao, Ye; Kalinin, Sergei V.

Phase-field simulation (PFS) has revolutionized the understanding of domain structure and switching behavior in ferroelectric thin films and ceramics. Generally, PFS is based on the solution of (a set of) Landau-Ginzburg-Devonshire equations for a defined order parameter field(s) under physical boundary conditions (BCs) of fixed potential or charge. While well matched to the interfaces in bulk materials and devices, these BCs are generally not applicable to free ferroelectric surfaces. Here, we developed a self-consistent phase-field model with BCs based on electrochemical equilibria. We chose Pb(Zr 0.2Ti 0.8)O 3 ultrathin film consisting of (001) oriented single tetragonal domain ( Pz) asmore » a model system and systematically studied the effects of oxygen partial pressure, temperature, and surface ions on the ferroelectric state and compared it with the case of complete screening. We have further explored the polarization switching induced by the oxygen partial pressure and observed pronounced size effect induced by chemical screening. Finally, our paper thus helps to understand the emergent phenomena in ferroelectric thin films brought about by the electrochemical ionic surface compensations.« less

Light coupling into the Whispering Gallery Modes of a fiber array thin film solar cell for fixed partial Sun tracking

PubMed Central

Mariano, Marina; Rodríguez, Francisco J.; Romero-Gomez, Pablo; Kozyreff, Gregory; Martorell, Jordi

2014-01-01

We propose the use of whispering gallery mode coupling in a novel configuration based on implementing a thin film cell on the backside of an array of parallel fibers. We performed numerical calculations using the parameters of a thin film organic cell which demonstrate that light coupling becomes more effective as the angle for the incident light relative to the fiber array normal increases up to an optimal angle close to 55 deg. At this angle the power conversion efficiency of the fiber array solar cell we propose becomes 30% times larger than the one from an equivalent planar cell configuration. We demonstrate that the micro fiber array solar cell we propose may perform an effective partial tracking of the sun movement for over 100 degrees without any mechanical help. In addition, in the event that such fiber array cell would be installed with the adequate orientation on a vertical façade, an optimal photon-to-charge conversion would be reached for sunlight incident at 55 deg with respect to the horizon line, very close to the yearly average position for the sun at Latitude of 40 deg.

Is scale-invariance in gauge-Yukawa systems compatible with the graviton?

NASA Astrophysics Data System (ADS)

Christiansen, Nicolai; Eichhorn, Astrid; Held, Aaron

2017-10-01

We explore whether perturbative interacting fixed points in matter systems can persist under the impact of quantum gravity. We first focus on semisimple gauge theories and show that the leading order gravity contribution evaluated within the functional Renormalization Group framework preserves the perturbative fixed-point structure in these models discovered in [J. K. Esbensen, T. A. Ryttov, and F. Sannino, Phys. Rev. D 93, 045009 (2016)., 10.1103/PhysRevD.93.045009]. We highlight that the quantum-gravity contribution alters the scaling dimension of the gauge coupling, such that the system exhibits an effective dimensional reduction. We secondly explore the effect of metric fluctuations on asymptotically safe gauge-Yukawa systems which feature an asymptotically safe fixed point [D. F. Litim and F. Sannino, J. High Energy Phys. 12 (2014) 178., 10.1007/JHEP12(2014)178]. The same effective dimensional reduction that takes effect in pure gauge theories also impacts gauge-Yukawa systems. There, it appears to lead to a split of the degenerate free fixed point into an interacting infrared attractive fixed point and a partially ultraviolet attractive free fixed point. The quantum-gravity induced infrared fixed point moves towards the asymptotically safe fixed point of the matter system, and annihilates it at a critical value of the gravity coupling. Even after that fixed-point annihilation, graviton effects leave behind new partially interacting fixed points for the matter sector.

Influence of humic acid concentration on nTiO2 attachment to quartz sand and Fe-coated quartz sand

NASA Astrophysics Data System (ADS)

Cheng, T.; Wu, Y.

2016-12-01

The transport of nano-scale or micro-scale titanium dioxide particles (nTiO2) in subsurface environments are strongly influenced by nTiO2 attachment to sediment grains. The objective of this study is to investigate the role of humic acid (HA) in the attachment of nTiO2 to sand at low HA concentrations that are relevant to typical groundwater conditions, so that mechanisms that control nTiO2 immobilization and transport in groundwater can be elucidated. nTiO2 may carry either positive or negative charges in natural water, therefore, environmental factors such as pH, humic substances, and Fe oxyhydroxide coatings on sediment grains, which are known to control the transport of negatively-charged colloids, may influence nTiO2 in different manners. Attachment of nTiO2 to quartz sand and Fe oxyhydroxide coated quartz sand are experimentally measured under a range of HA concentrations at fixed pH. Experimental results show that at pH 5, negatively-charged HA strongly adsorbs to positively-charged nTiO2 and Fe oxyhydroxide, which, at low HA concentrations, partially neutralizes the positive charges on nTiO2 and Fe oxyhydroxide, and therefore decreases the repulsive electrostatic forces between the surfaces, resulting in relatively high nTiO2 attachment. At high HA concentrations, adsorbed HA reverses the surface charges of nTiO2 and Fe oxyhydroxide, and makes nTiO2 and Fe oxyhydroxide strongly negatively charged, resulting in low nTiO2 attachment. At pH 9, HA, nTiO2, and Fe oxyhydroxide are all negatively charged, and HA adsorption is low and does not have a strong impact on the attachment of nTiO2. This study demonstrates that the changes in surface charges of nTiO2 and Fe oxyhydroxide coating caused by HA adsorption could be a key factor that controls the attachment of nTiO2 to sediment grains.

Novel determinants of the neuronal Cl− concentration

PubMed Central

Delpire, Eric; Staley, Kevin J

2014-01-01

It is now a well-accepted view that cation-driven Cl− transporters in neurons are involved in determining the intracellular Cl− concentration. In the present review, we propose that additional factors, which are often overlooked, contribute substantially to the Cl− gradient across neuronal membranes. After briefly discussing the data supporting and opposing the role of cation–chloride cotransporters in regulating Cl−, we examine the participation of the following factors in the formation of the transmembrane Cl− gradient: (i) fixed ‘Donnan’ charges inside and outside the cell; (ii) the properties of water (free vs. bound); and (iii) water transport through the cotransporters. We demonstrate a steep relationship between intracellular Cl− and the concentration of fixed negative charges on macromolecules. We show that in the absence of water transport through the K+–Cl− cotransporter, a large osmotic gradient builds at concentrations below or above a set value of ‘Donnan’ charges, and show that at any value of these fixed charges, the reversal potential for Cl− equates that of K+. When the movement of water across the membrane is a source of free energy, it is sufficient to modify the movement of Cl− through the cotransporter. In this scenario, the reversal potential for Cl− does not closely follow that of K+. Furthermore, our simulations demonstrate that small differences in the availability of freely diffusible water between inside and outside the cell greatly affect the Cl− reversal potential, particularly when osmolar transmembrane gradients are minimized, for example by idiogenic osmoles. We also establish that the presence of extracellular charges has little effect on the chloride reversal potential, but greatly affects the effective inhibitory conductance for Cl−. In conclusion, our theoretical analysis of the presence of fixed anionic charges and water bound on macromolecules inside and outside the cell greatly impacts both Cl− gradient and Cl− conductance across neuronal membranes. PMID:25107928

Design of a fast computer-based partial discharge diagnostic system

NASA Technical Reports Server (NTRS)

Oliva, Jose R.; Karady, G. G.; Domitz, Stan

1991-01-01

Partial discharges cause progressive deterioration of insulating materials working in high voltage conditions and may lead ultimately to insulator failure. Experimental findings indicate that deterioration increases with the number of discharges and is consequently proportional to the magnitude and frequency of the applied voltage. In order to obtain a better understanding of the mechanisms of deterioration produced by partial discharges, instrumentation capable of individual pulse resolution is required. A new computer-based partial discharge detection system was designed and constructed to conduct long duration tests on sample capacitors. This system is capable of recording large number of pulses without dead time and producing valuable information related to amplitude, polarity, and charge content of the discharges. The operation of the system is automatic and no human supervision is required during the testing stage. Ceramic capacitors were tested at high voltage in long duration tests. The obtained results indicated that the charge content of partial discharges shift towards high levels of charge as the level of deterioration in the capacitor increases.

Visual Enhancement of Laparoscopic Partial Nephrectomy With 3-Charge Coupled Device Camera: Assessing Intraoperative Tissue Perfusion and Vascular Anatomy by Visible Hemoglobin Spectral Response

DTIC Science & Technology

2010-10-01

open nephron spanng surgery a single institution expenence. J Ural 2005; 174: 855 21 Bhayan• SB, Aha KH Pmto PA et al Laparoscopic partial...noninvasively assess laparoscopic intraoperative changes in renal tissue perfusion during and after warm ischemia. Materials and Methods: We analyzed select...TITLE AND SUBTITLE Visual Enhancement of Laparoscopic Partial Nephrectomy With 3-Charge Coupled Device Camera: Assessing Intraoperative Tissue

Precise Point Positioning with Partial Ambiguity Fixing.

PubMed

Li, Pan; Zhang, Xiaohong

2015-06-10

Reliable and rapid ambiguity resolution (AR) is the key to fast precise point positioning (PPP). We propose a modified partial ambiguity resolution (PAR) method, in which an elevation and standard deviation criterion are first used to remove the low-precision ambiguity estimates for AR. Subsequently the success rate and ratio-test are simultaneously used in an iterative process to increase the possibility of finding a subset of decorrelated ambiguities which can be fixed with high confidence. One can apply the proposed PAR method to try to achieve an ambiguity-fixed solution when full ambiguity resolution (FAR) fails. We validate this method using data from 450 stations during DOY 021 to 027, 2012. Results demonstrate the proposed PAR method can significantly shorten the time to first fix (TTFF) and increase the fixing rate. Compared with FAR, the average TTFF for PAR is reduced by 14.9% for static PPP and 15.1% for kinematic PPP. Besides, using the PAR method, the average fixing rate can be increased from 83.5% to 98.2% for static PPP, from 80.1% to 95.2% for kinematic PPP respectively. Kinematic PPP accuracy with PAR can also be significantly improved, compared to that with FAR, due to a higher fixing rate.

Precise Point Positioning with Partial Ambiguity Fixing

PubMed Central

Li, Pan; Zhang, Xiaohong

2015-01-01

Reliable and rapid ambiguity resolution (AR) is the key to fast precise point positioning (PPP). We propose a modified partial ambiguity resolution (PAR) method, in which an elevation and standard deviation criterion are first used to remove the low-precision ambiguity estimates for AR. Subsequently the success rate and ratio-test are simultaneously used in an iterative process to increase the possibility of finding a subset of decorrelated ambiguities which can be fixed with high confidence. One can apply the proposed PAR method to try to achieve an ambiguity-fixed solution when full ambiguity resolution (FAR) fails. We validate this method using data from 450 stations during DOY 021 to 027, 2012. Results demonstrate the proposed PAR method can significantly shorten the time to first fix (TTFF) and increase the fixing rate. Compared with FAR, the average TTFF for PAR is reduced by 14.9% for static PPP and 15.1% for kinematic PPP. Besides, using the PAR method, the average fixing rate can be increased from 83.5% to 98.2% for static PPP, from 80.1% to 95.2% for kinematic PPP respectively. Kinematic PPP accuracy with PAR can also be significantly improved, compared to that with FAR, due to a higher fixing rate. PMID:26067196

Investigation of the W and Q 2 dependence of charged pion distributions in μ p scattering

NASA Astrophysics Data System (ADS)

Arneodo, M.; Arvidson, A.; Aubert, J. J.; Badelek, B.; Beaufays, J.; Bee, C. P.; Benchouk, C.; Berghoff, G.; Bird, I.; Blum, D.; Böhm, E.; de Bouard, X.; Brasse, F. W.; Braun, H.; Broll, C.; Brown, S.; Brück, H.; Calen, H.; Chima, J. S.; Ciborowski, J.; Clifft, R.; Coignet, G.; Combley, F.; Coughlan, J.; D'Agostini, G.; Dahlgren, S.; Dengler, F.; Derado, I.; Dreyer, T.; Drees, J.; Düren, M.; Eckardt, V.; Edwards, A.; Ernst, T.; Eszes, G.; Favier, J.; Ferrero, M. I.; Figiel, J.; Flauger, W.; Foster, J.; Gabathuler, E.; Gajewski, J.; Gamet, R.; Gayler, J.; Geddes, N.; Giubellino, P.; Grafström, P.; Grard, F.; Haas, J.; Hagberg, E.; Hasert, F. J.; Hayman, P.; Heusse, P.; Hoppe, C.; Jaffré, M.; Jacholkowska, A.; Janata, F.; Jancso, G.; Johnson, A. S.; Kabuss, E. M.; Kellner, G.; Korbel, V.; Krüger, J.; Kullander, S.; Landgraf, U.; Lanske, D.; Loken, J.; Long, K.; Maire, M.; Malecki, P.; Manz, A.; Maselli, S.; Mohr, W.; Montanet, F.; Montgomery, H. E.; Nagy, E.; Nassalski, J.; Norton, P. R.; Oakham, F. G.; Osborne, A. M.; Pascaud, C.; Pawlik, B.; Payre, P.; Peroni, C.; Pessard, H.; Pettingale, J.; Pietrzyk, B.; Pönsgen, B.; Pötsch, M.; Renton, P.; Ribarics, P.; Rith, K.; Rondio, E.; Scheer, M.; Schlagböhmer, A.; Schiemann, H.; Schmitz, N.; Schneegans, M.; Scholz, M.; Schröder, T.; Schouten, M.; Schultze, K.; Sloan, T.; Stier, H. E.; Studt, M.; Taylor, G. N.; Thénard, J. M.; Thompson, J. C.; de La Torre, A.; Toth, J.; Urban, L.; Wallucks, W.; Whalley, M.; Wheeler, S.; Williams, W. S. C.; Wimpenny, S. J.; Windmolders, R.; Wolf, G.

1986-03-01

The W and Q 2 dependence of the fragmentation functions and of the average multiplicity of charged pions is investigated, using data from the NA9 experiment at the CERN SPS on muon-proton scattering at 280 GeV. A significant increase of pion production with increasing W is observed at fixed Q 2, leading to a rise of the average charged pion multiplicity, linear in ln W 2, and of the pion fragmentation function in the central region, i.e. at small | x F |. This increase can be understood from the kinematic widening of the cms rapidity range proportional to ln W 2 and the observed W independent height of the rapidity distribution. At fixed W, a rise of the average charged pion multiplicity with Q 2 is observed. This rise appears to be weaker than that observed for all charged hadrons implying a stronger rise with Q 2 for kaons and protons.

78 FR 25115 - Self-Regulatory Organizations; Fixed Income Clearing Corporation; Notice of Filing of Proposed...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-29

... Amending the Mortgage-Backed Securities Division Fails Charge Rule To Reflect Recommendation of the... change is to amend the existing fails charge rule in FICC's Mortgage-Backed Securities Division (``MBSD... (``TMPG'') relating to the removal of the resolution period for fails charges.\\3\\ \\3\\ The text of the...

Analytical pricing of geometric Asian power options on an underlying driven by a mixed fractional Brownian motion

NASA Astrophysics Data System (ADS)

Zhang, Wei-Guo; Li, Zhe; Liu, Yong-Jun

2018-01-01

In this paper, we study the pricing problem of the continuously monitored fixed and floating strike geometric Asian power options in a mixed fractional Brownian motion environment. First, we derive both closed-form solutions and mixed fractional partial differential equations for fixed and floating strike geometric Asian power options based on delta-hedging strategy and partial differential equation method. Second, we present the lower and upper bounds of the prices of fixed and floating strike geometric Asian power options under the assumption that both risk-free interest rate and volatility are interval numbers. Finally, numerical studies are performed to illustrate the performance of our proposed pricing model.

First-principles study of atomic and electronic structures of 60° perfect and 30°/90° partial glide dislocations in CdTe

DOE PAGES

Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

2016-05-16

The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

Trapped charge densities in Al{sub 2}O{sub 3}-based silicon surface passivation layers

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

Jordan, Paul M., E-mail: Paul.Jordan@namlab.com; Simon, Daniel K.; Dirnstorfer, Ingo

2016-06-07

In Al{sub 2}O{sub 3}-based passivation layers, the formation of fixed charges and trap sites can be strongly influenced by small modifications in the stack layout. Fixed and trapped charge densities are characterized with capacitance voltage profiling and trap spectroscopy by charge injection and sensing, respectively. Al{sub 2}O{sub 3} layers are grown by atomic layer deposition with very thin (∼1 nm) SiO{sub 2} or HfO{sub 2} interlayers or interface layers. In SiO{sub 2}/Al{sub 2}O{sub 3} and HfO{sub 2}/Al{sub 2}O{sub 3} stacks, both fixed charges and trap sites are reduced by at least a factor of 5 compared with the value measured inmore » pure Al{sub 2}O{sub 3}. In Al{sub 2}O{sub 3}/SiO{sub 2}/Al{sub 2}O{sub 3} or Al{sub 2}O{sub 3}/HfO{sub 2}/Al{sub 2}O{sub 3} stacks, very high total charge densities of up to 9 × 10{sup 12} cm{sup −2} are achieved. These charge densities are described as functions of electrical stress voltage, time, and the Al{sub 2}O{sub 3} layer thickness between silicon and the HfO{sub 2} or the SiO{sub 2} interlayer. Despite the strong variation of trap sites, all stacks reach very good effective carrier lifetimes of up to 8 and 20 ms on p- and n-type silicon substrates, respectively. Controlling the trap sites in Al{sub 2}O{sub 3} layers opens the possibility to engineer the field-effect passivation in the solar cells.« less

Renormalization shielding effect on the Wannier-ridge mode for double-electron continua in partially ionized dense hydrogen plasmas

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

Lee, Myoung-Jae; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr; Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 8th Street, Troy, New York 12180-3590

2016-01-15

The influence of renormalization shielding on the Wannier threshold law for the double-electron escapes by the electron-impact ionization is investigated in partially ionized dense plasmas. The renormalized electron charge and Wannier exponent are obtained by considering the equation of motion in the Wannier-ridge including the renormalization shielding effect. It is found that the renormalization shielding effect reduces the magnitude of effective electron charge, especially, within the Bohr radius in partially ionized dense plasmas. The maximum position of the renormalized electron charge approaches to the center of the target atom with an increase of the renormalization parameter. In addition, the Wanniermore » exponent increases with an increase of the renormalization parameter. The variations of the renormalized electron charge and Wannier exponent due to the renormalization shielding effect are also discussed.« less

Generalized contractive mappings and weakly α-admissible pairs in G-metric spaces.

PubMed

Hussain, N; Parvaneh, V; Hoseini Ghoncheh, S J

2014-01-01

The aim of this paper is to present some coincidence and common fixed point results for generalized (ψ, φ)-contractive mappings using partially weakly G-α-admissibility in the setup of G-metric space. As an application of our results, periodic points of weakly contractive mappings are obtained. We also derive certain new coincidence point and common fixed point theorems in partially ordered G-metric spaces. Moreover, some examples are provided here to illustrate the usability of the obtained results.

Generalized Contractive Mappings and Weakly α-Admissible Pairs in G-Metric Spaces

PubMed Central

Hussain, N.; Parvaneh, V.; Hoseini Ghoncheh, S. J.

2014-01-01

The aim of this paper is to present some coincidence and common fixed point results for generalized (ψ, φ)-contractive mappings using partially weakly G-α-admissibility in the setup of G-metric space. As an application of our results, periodic points of weakly contractive mappings are obtained. We also derive certain new coincidence point and common fixed point theorems in partially ordered G-metric spaces. Moreover, some examples are provided here to illustrate the usability of the obtained results. PMID:25202742

Physicochemical Properties of Cartilage in the Light of Ion Exchange Theory

PubMed Central

Maroudas, Alice

1968-01-01

Ion exchange theory has been applied to articular cartilage. Relationships were derived between permeability, diffusivity, electrical conductivity, and streaming potential. Systematic measurements were undertaken on these properties. Experimental techniques are described and data tabulated. Theoretical correlations were found to hold within the experimental error. The concentration of fixed negatively-charged groups in cartilage was shown to be the most important parameter. Fixed charge density was found to increase with distance from the articular surface and this variation was reflected in the other properties. PMID:5699797

One-Dimensional Spacecraft Formation Flight Testbed for Terrestrial Charged Relative Motion Experiments

NASA Astrophysics Data System (ADS)

Seubert, Carl R.

Spacecraft operating in a desired formation offers an abundance of attractive mission capabilities. One proposed method of controlling a close formation of spacecraft is with Coulomb (electrostatic) forces. The Coulomb formation flight idea utilizes charge emission to drive the spacecraft to kilovolt-level potentials and generate adjustable, micronewton- to millinewton-level Coulomb forces for relative position control. In order to advance the prospects of the Coulomb formation flight concept, this dissertation presents the design and implementation of a unique one-dimensional testbed. The disturbances of the testbed are identified and reduced below 1 mN. This noise level offers a near-frictionless platform that is used to perform relative motion actuation with electrostatics in a terrestrial atmospheric environment. Potentials up to 30 kV are used to actuate a cart over a translational range of motion of 40 cm. A challenge to both theoretical and hardware implemented electrostatic actuation developments is correctly modeling the forces between finite charged bodies, outside a vacuum. To remedy this, studies of Earth orbit plasmas and Coulomb force theory is used to derive and propose a model of the Coulomb force between finite spheres in close proximity, in a plasma. This plasma force model is then used as a basis for a candidate terrestrial force model. The plasma-like parameters of this terrestrial model are estimated using charged motion data from fixed-potential, single-direction experiments on the testbed. The testbed is advanced to the level of autonomous feedback position control using solely Coulomb force actuation. This allows relative motion repositioning on a flat and level track as well as an inclined track that mimics the dynamics of two charged spacecraft that are aligned with the principal orbit axis. This controlled motion is accurately predicted with simulations using the terrestrial force model. This demonstrates similarities between the partial charge shielding of space-based plasmas to the electrostatic screening in the laboratory atmosphere.

Maxillary rehabilitation using fixed and removable partial dentures with attachments: a clinical report.

PubMed

dos Santos Nunes Reis, José Maurício; da Cruz Perez, Luciano Elias; Alfenas, Bruna Fernandes Moreira; de Oliveira Abi-Rached, Filipe; Filho, João Neudenir Arioli

2014-01-01

Despite requiring dental crown preparation and possible root canal treatment, besides the difficulty of clinical and laboratory repairs, and financial burden, the association between fixed (FPD) and removable partial dentures (RPD) by means of attachments is an important alternative for oral rehabilitation, particularly when the use of dental implants and FPDs is limited or not indicated. Among the advantages of attachment-retained RPDs are the improvements in esthetics and biomechanics, as well as correction of the buccal arrangement of anterior teeth in Kennedy Class III partially edentulous arches. This article describes the treatment sequence and technique for the use of attachments in therapy combining FPD/RPD. © 2013 by the American College of Prosthodontists.

Charged particle detectors with active detector surface for partial energy deposition of the charged particles and related methods

DOEpatents

Gerts, David W; Bean, Robert S; Metcalf, Richard R

2013-02-19

A radiation detector is disclosed. The radiation detector comprises an active detector surface configured to generate charge carriers in response to charged particles associated with incident radiation. The active detector surface is further configured with a sufficient thickness for a partial energy deposition of the charged particles to occur and permit the charged particles to pass through the active detector surface. The radiation detector further comprises a plurality of voltage leads coupled to the active detector surface. The plurality of voltage leads is configured to couple to a voltage source to generate a voltage drop across the active detector surface and to separate the charge carriers into a plurality of electrons and holes for detection. The active detector surface may comprise one or more graphene layers. Timing data between active detector surfaces may be used to determine energy of the incident radiation. Other apparatuses and methods are disclosed herein.

Over-injection and self-oscillations in an electron vacuum diode

NASA Astrophysics Data System (ADS)

Leopold, J. G.; Siman-Tov, M.; Goldman, A.; Krasik, Ya. E.

2017-07-01

We demonstrate a practical means by which one can inject more than the space-charge limiting current into a vacuum diode. This over-injection causes self-oscillations of the space-charge resulting in an electron beam current modulation at a fixed frequency, a reaction of the system to the Coulomb repulsive forces due to charge accumulation.

18 CFR 11.14 - Procedures for establishing charges without an energy gains investigation.

Code of Federal Regulations, 2010 CFR

2010-04-01

... hydrology or project development, that affect headwater benefits. (2) Any procedures that apply to § 11.17(b)(5) of this subpart will apply to any prospectively fixed charges that are continued under this...

18 CFR 11.14 - Procedures for establishing charges without an energy gains investigation.

Code of Federal Regulations, 2011 CFR

2011-04-01

... hydrology or project development, that affect headwater benefits. (2) Any procedures that apply to § 11.17(b)(5) of this subpart will apply to any prospectively fixed charges that are continued under this...

Validation of the "Quality of Life related to function, aesthetics, socialization, and thoughts about health-behavioural habits (QoLFAST-10)" scale for wearers of implant-supported fixed partial dentures.

PubMed

Castillo-Oyagüe, Raquel; Perea, Carmen; Suárez-García, María-Jesús; Río, Jaime Del; Lynch, Christopher D; Preciado, Arelis

2016-12-01

To validate the 'Quality of Life related to function, aesthetics, socialization, and thoughts about health-behavioural habits (QoLFAST-10)' questionnaire for assessing the whole concept of oral health-related quality of life (OHRQoL) of implant-supported fixed partial denture (FPD) wearers. 107 patients were assigned to: Group 1 (HP; n=37): fixed-detachable hybrid prostheses (control); Group 2 (C-PD, n=35): cemented partial dentures; and Group 3 (S-PD, n=35): screwed partial dentures. Patients answered the QoLFAST-10 and the Oral Health Impact Profile (OHIP-14sp) scales. Information on global oral satisfaction, socio-demographic, prosthetic, and clinical data was gathered. The psychometric capacity of the QoLFAST-10 was investigated. The correlations between both indices were explored by the Spearman's rank test. The effect of the study variables on the OHRQoL was evaluated by descriptive and non-parametric probes (α=0.05). The QoLFAST-10 was reliable and valid for implant-supported FPD wearers, who attained comparable results regardless of the connection system being cement or screws. Both fixed partial groups demonstrated significantly better social, functional, and total satisfaction than did HP wearers with this index. All groups revealed similar aesthetic-related well-being and consciousness about the importance of health-behavioural habits. Several study variables modulated the QoLFAST-10 scores. Hybrid prostheses represent the least predictable treatment option, while cemented and screwed FPDs supplied equal OHRQoL as estimated by the QoLFAST-10 scale. The selection of cemented or screwed FPDs should mainly rely on clinical factors, since no differences in patient satisfaction may be expected between both types of implant rehabilitations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Electrokinetics of diffuse soft interfaces. 1. Limit of low Donnan potentials.

PubMed

Duval, Jérôme F L; van Leeuwen, Herman P

2004-11-09

The current theoretical approaches to electrokinetics of gels or polyelectrolyte layers are based on the assumption that the position of the very interface between the aqueous medium and the gel phase is well defined. Within this assumption, spatial profiles for the volume fraction of polymer segments (phi), the density of fixed charges in the porous layer (rho fix), and the coefficient modeling the friction to hydrodynamic flow (k) follow a step-function. In reality, the "fuzzy" nature of the charged soft layer is intrinsically incompatible with the concept of a sharp interface and therefore necessarily calls for more detailed spatial representations for phi, rho fix, and k. In this paper, the notion of diffuse interface is introduced. For the sake of illustration, linear spatial distributions for phi and rho fix are considered in the interfacial zone between the bulk of the porous charged layer and the bulk electrolyte solution. The corresponding distribution for k is inferred from the Brinkman equation, which for low phi reduces to Stokes' equation. Linear electrostatics, hydrodynamics, and electroosmosis issues are analytically solved within the context of streaming current and streaming potential of charged surface layers in a thin-layer cell. The hydrodynamic analysis clearly demonstrates the physical incorrectness of the concept of a discrete slip plane for diffuse interfaces. For moderate to low electrolyte concentrations and nanoscale spatial transition of phi from zero (bulk electrolyte) to phi o (bulk gel), the electrokinetic properties of the soft layer as predicted by the theory considerably deviate from those calculated on the basis of the discontinuous approximation by Ohshima.

Treatment planning: implant-supported partial overdentures.

PubMed

Chee, Winston W L

2005-04-01

When multiple anterior teeth are missing, many options of replacement are available. Traditionally, the choice was between a fixed or removable prostheses. Today, with the predictability of dental implants, the options of tooth replacement range from removable partial dentures to implant-supported fixed prostheses. The choice of which restoration that will best provide occlusion and esthetics depends on multiple factors including the number and location of missing teeth, the residual ridge form in relation to the replacement teeth, the relationship of the maxillary and mandibular anterior teeth, the condition of teeth adjacent to the edentulous span, the amount of bone available for implant placement, the patients "smile line" and display of teeth, lip support, and financial constraints. When there is minimal loss of the ridge contour, restorations that emerge from the ridge are the most functional and esthetic restorations, adhesive-type fixed partial dentures, conventional fixed partial dentures, and implant-supported restorations can be indicated with the choice of restoration dependent on a risk benefit and cost benefit analysis. When there is a loss of ridge contour due to residual ridge resorption or trauma, the decision becomes more complex as not only does the tooth structure need to be replaced, the ridge form also has to be replaced. (Figures 1 and 2). This can be assessed clinically as illustrated by Figures 1 and 2 where a dis crepancy in arch form and ridge form in relation to the adjacent teeth and/or opposing arch can be observed. Other considerations are lip support and display of the teeth when smiling. This article presents a case and rationale for implant-supported par tial overdentures. Many authors have written on the merits of com plete overdentures. The complete overdenture has proven to be an improvement over conventional complete prostheses with respect to chewing efficiency, patient comfort and satisfaction. In partial edentulism, the implant-supported overdenture has several advantages, some in common with a removable partial denture.

Precision attachments for the partially dentate mouth

PubMed Central

Preiskel, H W

1974-01-01

Some uses of precision attachments in restoring the partially dentate mouth are considered. These devices are indicated where neither the clasp-retained denture nor the fixed bridge is entirely suitable. ImagesFig. 2 PMID:4614689

Frequency of partial edentulism and awareness to restore the same: a cross sectional study in the age group of 18-25 years among kerala student population.

PubMed

Abdurahiman, V T; Abdul Khader, M; Sanju John Jolly

2013-12-01

Treating partial edentulousness forms a major share of prosthodontic clinical practice. The purpose of this study was to find out the frequency of partial edentulism, its arch distribution status, awareness to restore, and the ratio of removable to fixed prosthesis among a student sample aged 18-25 years. The methodology selected was a questionnaire survey followed by clinical examination of the student community from Tirur taluk, Malappuram district, Kerala. The results showed that the frequency of partial edentulism among the surveyed group was significant with predominance in maxillary posterior edentulousness in men and mandibular posterior edentulousness in women. Though there was not any significant gender difference in the partial edentulism, women were more aware than men to restore it. All restored cases were with fixed bridges and no anterior edentulousness was found. The study also revealed a lack of awareness and need to educate the population.

Scaling of Device Variability and Subthreshold Swing in Ballistic Carbon Nanotube Transistors

NASA Astrophysics Data System (ADS)

Cao, Qing; Tersoff, Jerry; Han, Shu-Jen; Penumatcha, Ashish V.

2015-08-01

In field-effect transistors, the inherent randomness of dopants and other charges is a major cause of device-to-device variability. For a quasi-one-dimensional device such as carbon nanotube transistors, even a single charge can drastically change the performance, making this a critical issue for their adoption as a practical technology. Here we calculate the effect of the random charges at the gate-oxide surface in ballistic carbon nanotube transistors, finding good agreement with the variability statistics in recent experiments. A combination of experimental and simulation results further reveals that these random charges are also a major factor limiting the subthreshold swing for nanotube transistors fabricated on thin gate dielectrics. We then establish that the scaling of the nanotube device uniformity with the gate dielectric, fixed-charge density, and device dimension is qualitatively different from conventional silicon transistors, reflecting the very different device physics of a ballistic transistor with a quasi-one-dimensional channel. The combination of gate-oxide scaling and improved control of fixed-charge density should provide the uniformity needed for large-scale integration of such novel one-dimensional transistors even at extremely scaled device dimensions.

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

Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

Feasibility study on partial insulation winding technique for the development of self-protective MgB2 magnet

NASA Astrophysics Data System (ADS)

Kim, Y. G.; Kim, J. C.; Kim, J. M.; Yoo, B. H.; Hwang, D. Y.; Lee, H. G.

2018-06-01

This study investigates the feasibility of using the partial insulation winding technique for the development of a self-protective MgB2 MRI magnet with a fast charge-discharge rate. Charge-discharge and quench tests for a prototype PI MgB2 magnet confirmed that the magnet was successfully operated at full-field performance and exhibited self-protecting behavior in the event of a quench. Nonetheless, the required time to charge the 0.5-T/300-mm PI MgB2 magnet was almost five days, implying that the charge-discharge delay of the PI MgB2 magnet still needs to be ameliorated further to develop a real-scale MgB2 MRI magnet with a fast charge-discharge rate.

Electrokinetic motion of a rectangular nanoparticle in a nanochannel

NASA Astrophysics Data System (ADS)

Movahed, Saeid; Li, Dongqing

2012-08-01

This article presents a theoretical study of electrokinetic motion of a negatively charged cubic nanoparticle in a three-dimensional nanochannel with a circular cross-section. Effects of the electrophoretic and the hydrodynamic forces on the nanoparticle motion are examined. Because of the large applied electric field over the nanochannel, the impact of the Brownian force is negligible in comparison with the electrophoretic and the hydrodynamic forces. The conventional theories of electrokinetics such as the Poisson-Boltzmann equation and the Helmholtz-Smoluchowski slip velocity approach are no longer applicable in the small nanochannels. In this study, and at each time step, first, a set of highly coupled partial differential equations including the Poisson-Nernst-Plank equation, the Navier-Stokes equations, and the continuity equation was solved to find the electric potential, ionic concentration field, and the flow field around the nanoparticle. Then, the electrophoretic and hydrodynamic forces acting on the negatively charged nanoparticle were determined. Following that, the Newton second law was utilized to find the velocity of the nanoparticle. Using this model, effects of surface electric charge of the nanochannel, bulk ionic concentration, the size of the nanoparticle, and the radius of the nanochannel on the nanoparticle motion were investigated. Increasing the bulk ionic concentration or the surface charge of the nanochannel will increase the electroosmotic flow, and hence affect the particle's motion. It was also shown that, unlike microchannels with thin EDL, the change in nanochannel size will change the EDL field and the ionic concentration field in the nanochannel, affecting the particle's motion. If the nanochannel size is fixed, a larger particle will move faster than a smaller particle under the same conditions.

Bounding the Resource Availability of Partially Ordered Events with Constant Resource Impact

NASA Technical Reports Server (NTRS)

Frank, Jeremy

2004-01-01

We compare existing techniques to bound the resource availability of partially ordered events. We first show that, contrary to intuition, two existing techniques, one due to Laborie and one due to Muscettola, are not strictly comparable in terms of the size of the search trees generated under chronological search with a fixed heuristic. We describe a generalization of these techniques called the Flow Balance Constraint to tightly bound the amount of available resource for a set of partially ordered events with piecewise constant resource impact We prove that the new technique generates smaller proof trees under chronological search with a fixed heuristic, at little increase in computational expense. We then show how to construct tighter resource bounds but at increased computational cost.

Electronic structure and partial charge distribution of Doxorubicin in different molecular environments.

PubMed

Poudel, Lokendra; Wen, Amy M; French, Roger H; Parsegian, V Adrian; Podgornik, Rudolf; Steinmetz, Nicole F; Ching, Wai-Yim

2015-05-18

The electronic structure and partial charge of doxorubicin (DOX) in three different molecular environments-isolated, solvated, and intercalated in a DNA complex-are studied by first-principles density functional methods. It is shown that the addition of solvating water molecules to DOX, together with the proximity to and interaction with DNA, has a significant impact on the electronic structure as well as on the partial charge distribution. Significant improvement in estimating the DOX-DNA interaction energy is achieved. The results are further elucidated by resolving the total density of states and surface charge density into different functional groups. It is concluded that the presence of the solvent and the details of the interaction geometry matter greatly in determining the stability of DOX complexation. Ab initio calculations on realistic models are an important step toward a more accurate description of the long-range interactions in biomolecular systems. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Non-Linearity in Wide Dynamic Range CMOS Image Sensors Utilizing a Partial Charge Transfer Technique.

PubMed

Shafie, Suhaidi; Kawahito, Shoji; Halin, Izhal Abdul; Hasan, Wan Zuha Wan

2009-01-01

The partial charge transfer technique can expand the dynamic range of a CMOS image sensor by synthesizing two types of signal, namely the long and short accumulation time signals. However the short accumulation time signal obtained from partial transfer operation suffers of non-linearity with respect to the incident light. In this paper, an analysis of the non-linearity in partial charge transfer technique has been carried, and the relationship between dynamic range and the non-linearity is studied. The results show that the non-linearity is caused by two factors, namely the current diffusion, which has an exponential relation with the potential barrier, and the initial condition of photodiodes in which it shows that the error in the high illumination region increases as the ratio of the long to the short accumulation time raises. Moreover, the increment of the saturation level of photodiodes also increases the error in the high illumination region.

Probing the effect of charge transfer enhancement in off resonance mode SERS via conjugation of the probe dye between silver nanoparticles and metal substrates.

PubMed

Selvakannan, Pr; Ramanathan, Rajesh; Plowman, Blake J; Sabri, Ylias M; Daima, Hemant K; O'Mullane, Anthony P; Bansal, Vipul; Bhargava, Suresh K

2013-08-21

The charge transfer-mediated surface enhanced Raman scattering (SERS) of crystal violet (CV) molecules that were chemically conjugated between partially polarized silver nanoparticles and optically smooth gold and silver substrates has been studied under off-resonant conditions. Tyrosine molecules were used as a reducing agent to convert silver ions into silver nanoparticles where oxidised tyrosine caps the silver nanoparticle surface with its semiquinone group. This binding through the quinone group facilitates charge transfer and results in partially oxidised silver. This establishes a chemical link between the silver nanoparticles and the CV molecules, where the positively charged central carbon of CV molecules can bind to the terminal carboxylate anion of the oxidised tyrosine molecules. After drop casting Ag nanoparticles bound with CV molecules it was found that the free terminal amine groups tend to bind with the underlying substrates. Significantly, only those CV molecules that were chemically conjugated between the partially polarised silver nanoparticles and the underlying gold or silver substrates were found to show SERS under off-resonant conditions. The importance of partial charge transfer at the nanoparticle/capping agent interface and the resultant conjugation of CV molecules to off resonant SERS effects was confirmed by using gold nanoparticles prepared in a similar manner. In this case the capping agent binds to the nanoparticle through the amine group which does not facilitate charge transfer from the gold nanoparticle and under these conditions SERS enhancement in the sandwich configuration was not observed.

Figure and caption for LDRD annual report

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

Suratwala, T.

2017-10-16

Material removal rate of various optical material workpieces polished using various colloidal slurries as a function of partial charge difference. Partial charge difference is a parameter calculated from a new chemical model proposed to link the condensation reaction rate with polishing material removal rate. This chemical model can serve as a global platform to predict & design polishing processes for a wide variety of workpiece materials and slurry compositions.

Injectable hydrogels with high fixed charge density and swelling pressure for nucleus pulposus repair: biomimetic glycosaminoglycan analogues.

PubMed

Sivan, S S; Roberts, S; Urban, J P G; Menage, J; Bramhill, J; Campbell, D; Franklin, V J; Lydon, F; Merkher, Y; Maroudas, A; Tighe, B J

2014-03-01

The load-bearing biomechanical role of the intervertebral disc is governed by the composition and organization of its major macromolecular components, collagen and aggrecan. The major function of aggrecan is to maintain tissue hydration, and hence disc height, under the high loads imposed by muscle activity and body weight. Key to this role is the high negative fixed charge of its glycosaminoglycan side chains, which impart a high osmotic pressure to the tissue, thus regulating and maintaining tissue hydration and hence disc height under load. In degenerate discs, aggrecan degrades and is lost from the disc, particularly centrally from the nucleus pulposus. This loss of fixed charge results in reduced hydration and loss of disc height; such changes are closely associated with low back pain. The present authors developed biomimetic glycosaminoglycan analogues based on sulphonate-containing polymers. These biomimetics are deliverable via injection into the disc where they polymerize in situ, forming a non-degradable, nuclear "implant" aimed at restoring disc height to degenerate discs, thereby relieving back pain. In vitro, these glycosaminoglycan analogues possess appropriate fixed charge density, hydration and osmotic responsiveness, thereby displaying the capacity to restore disc height and function. Preliminary biomechanical tests using a degenerate explant model showed that the implant adapts to the space into which it is injected and restores stiffness. These hydrogels mimic the role taken by glycosaminoglycans in vivo and, unlike other hydrogels, provide an intrinsic swelling pressure, which can maintain disc hydration and height under the high and variable compressive loads encountered in vivo. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Comparative Evaluation of Marginal Accuracy of a Cast Fixed Partial Denture Compared to Soldered Fixed Partial Denture Made of Two Different Base Metal Alloys and Casting Techniques: An In vitro Study.

PubMed

Jei, J Brintha; Mohan, Jayashree

2014-03-01

The periodontal health of abutment teeth and the durability of fixed partial denture depends on the marginal adaptation of the prosthesis. Any discrepancy in the marginal area leads to dissolution of luting agent and plaque accumulation. This study was done with the aim of evaluating the accuracy of marginal fit of four unit crown and bridge made up of Ni-Cr and Cr-Co alloys under induction and centrifugal casting. They were compared to cast fixed partial denture (FPD) and soldered FPD. For the purpose of this study a metal model was fabricated. A total of 40 samples (4-unit crown and bridge) were prepared in which 20 Cr-Co samples and 20 Ni-Cr samples were fabricated. Within these 20 samples of each group 10 samples were prepared by induction casting technique and other 10 samples with centrifugal casting technique. The cast FPD samples obtained were seated on the model and the samples were then measured with travelling microscope having precision of 0.001 cm. Sectioning of samples was done between the two pontics and measurements were made, then the soldering was made with torch soldering unit. The marginal discrepancy of soldered samples was measured and all findings were statistically analysed. The results revealed minimal marginal discrepancy with Cr-Co samples when compared to Ni-Cr samples done under induction casting technique. When compared to cast FPD samples, the soldered group showed reduced marginal discrepancy.

77 FR 1101 - Self-Regulatory Organizations; C2 Options Exchange, Incorporated; Notice of Filing and Immediate...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-01-09

... Login ID and FIX Login ID to $500 per month for regular access and $1000 per month for Sponsored User... a FIX fee of $1200 for a minimum of two monthly login IDs (so, $600 for one), or a fee of $2,400 for... to increase the fees charged for a CMI Login ID and FIX Login ID to $500 per month for regular access...

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

Johnstone, Peter; Jacobson, Arne; Mills, Evan

Creation of light for work, socializing, and general illumination is a fundamental application of technology around the world. For those who lack access to electricity, an emerging and diverse range of LED based lighting products hold promise for replacing and/or augmenting their current fuel-based lighting sources that are costly and dirty. Along with analysis of environmental factors, economic models for total cost-ofownership of LED lighting products are an important tool for studying the impacts of these products as they emerge in markets of developing countries. One important metric in those models is the minimum illuminance demanded by end-users for amore » given task before recharging the lamp or replacing batteries. It impacts the lighting service cost per unit time if charging is done with purchased electricity, batteries, or charging services. The concept is illustrated in figure 1: LED lighting products are generally brightest immediately after the battery is charged or replaced and the illuminance degrades as the battery is discharged. When a minimum threshold level of illuminance is reached, the operational time for the battery charge cycle is over. The cost to recharge depends on the method utilized; these include charging at a shop at a fixed price per charge, charging on personal grid connections, using solar chargers, and purchasing dry cell batteries. This Research Note reports on the observed"charge-triggering" illuminance level threshold for night market vendors who use LED lighting products to provide general and task oriented illumination. All the study participants charged with AC power, either at a fixed-price charge shop or with electricity at their home.« less

[Case of occlusal reconstruction for severe attrition].

PubMed

Ueda, Takayuki

2006-01-01

A 57-year-old female complained of aesthetic disturbance, dysmasesis and phonation disorder by attrition. She had severe attrition of almost teeth. To avoid metal color exposure and attrition of opposing teeth, hybrid ceramics were used for veneered crowns and fixed partial denture. Since the prosthetic treatment, the patient wears a night guard to prevent attrition of her teeth and prosthesis. There has been no specific trouble during the 4-year follow-up. It is considered that using hybrid ceramics for veneering crowns and fixed partial denture and night guard help to prevent the attrition of opposing teeth and abrasion of prosthesis.

Impact of Rate Design Alternatives on Residential Solar Customer Bills. Increased Fixed Charges, Minimum Bills and Demand-based Rates

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

Bird, Lori; Davidson, Carolyn; McLaren, Joyce

With rapid growth in energy efficiency and distributed generation, electric utilities are anticipating stagnant or decreasing electricity sales, particularly in the residential sector. Utilities are increasingly considering alternative rates structures that are designed to recover fixed costs from residential solar photovoltaic (PV) customers with low net electricity consumption. Proposed structures have included fixed charge increases, minimum bills, and increasingly, demand rates - for net metered customers and all customers. This study examines the electricity bill implications of various residential rate alternatives for multiple locations within the United States. For the locations analyzed, the results suggest that residential PV customers offset,more » on average, between 60% and 99% of their annual load. However, roughly 65% of a typical customer's electricity demand is non-coincidental with PV generation, so the typical PV customer is generally highly reliant on the grid for pooling services.« less

76 FR 67519 - Self-Regulatory Organizations; Fixed Income Clearing Corporation; Notice of Filing of Proposed...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-01

... Expand the Applicability of the Fails Charge to Agency Debt Securities Transactions October 26, 2011... the fails charge to Agency debt securities transactions. II. Self-Regulatory Organization's Statement... Federal Reserve Bank of New York (the ``FRBNY''), has been addressing the persistent settlement fails in...

18 CFR 11.8 - Adjustment of annual charges.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 18 Conservation of Power and Water Resources 1 2011-04-01 2011-04-01 false Adjustment of annual charges. 11.8 Section 11.8 Conservation of Power and Water Resources FEDERAL ENERGY REGULATORY COMMISSION... in effect as fixed unless changed as authorized by law. [51 FR 24318, July 3, 1986] ...

18 CFR 11.8 - Adjustment of annual charges.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 18 Conservation of Power and Water Resources 1 2010-04-01 2010-04-01 false Adjustment of annual charges. 11.8 Section 11.8 Conservation of Power and Water Resources FEDERAL ENERGY REGULATORY COMMISSION... in effect as fixed unless changed as authorized by law. [51 FR 24318, July 3, 1986] ...

18 CFR 11.8 - Adjustment of annual charges.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 18 Conservation of Power and Water Resources 1 2014-04-01 2014-04-01 false Adjustment of annual charges. 11.8 Section 11.8 Conservation of Power and Water Resources FEDERAL ENERGY REGULATORY COMMISSION... in effect as fixed unless changed as authorized by law. [51 FR 24318, July 3, 1986] ...

18 CFR 11.8 - Adjustment of annual charges.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 18 Conservation of Power and Water Resources 1 2013-04-01 2013-04-01 false Adjustment of annual charges. 11.8 Section 11.8 Conservation of Power and Water Resources FEDERAL ENERGY REGULATORY COMMISSION... in effect as fixed unless changed as authorized by law. [51 FR 24318, July 3, 1986] ...

18 CFR 11.8 - Adjustment of annual charges.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 18 Conservation of Power and Water Resources 1 2012-04-01 2012-04-01 false Adjustment of annual charges. 11.8 Section 11.8 Conservation of Power and Water Resources FEDERAL ENERGY REGULATORY COMMISSION... in effect as fixed unless changed as authorized by law. [51 FR 24318, July 3, 1986] ...

7 CFR 1810.1 - Information concerning interest rates, amortization, guarantee fee, annual charge, and fixed period.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 12 2010-01-01 2010-01-01 false Information concerning interest rates, amortization... UTILITIES SERVICE, AND FARM SERVICE AGENCY, DEPARTMENT OF AGRICULTURE GENERAL REGULATIONS INTEREST RATES, TERMS, CONDITIONS, AND APPROVAL AUTHORITY Interest Rates, Amortization, Guarantee Fee, Annual Charge...

48 CFR 49.208 - Equitable adjustment after partial termination.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Equitable adjustment after partial termination. 49.208 Section 49.208 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION CONTRACT MANAGEMENT TERMINATION OF CONTRACTS Additional Principles for Fixed-Price Contracts...

Correlation between octanol/water and liposome/water distribution coefficients and drug absorption of a set of pharmacologically active compounds.

PubMed

Esteves, Freddy; Moutinho, Carla; Matos, Carla

2013-06-01

Absorption and consequent therapeutic action are key issues in the development of new drugs by the pharmaceutical industry. In this sense, different models can be used to simulate biological membranes to predict the absorption of a drug. This work compared the octanol/water and the liposome/water models. The parameters used to relate the two models were the distribution coefficients between liposomes and water and octanol and water and the fraction of drug orally absorbed. For this study, 66 drugs were collected from literature sources and divided into four groups according to charge and ionization degree: neutral; positively charged; negatively charged; and partially ionized/zwitterionic. The results show a satisfactory linear correlation between the octanol and liposome systems for the neutral (R²= 0.9324) and partially ionized compounds (R²= 0.9367), contrary to the positive (R²= 0.4684) and negatively charged compounds (R²= 0.1487). In the case of neutral drugs, results were similar in both models because of the high fraction orally absorbed. However, for the charged drugs (positively, negatively, and partially ionized/zwitterionic), the liposomal model has a more-appropriate correlation with absorption than the octanol model. These results show that the neutral compounds only interact with membranes through hydrophobic bonds, whereas charged drugs favor electrostatic interactions established with the liposomes. With this work, we concluded that liposomes may be a more-appropriate biomembrane model than octanol for charged compounds.

EAO consensus conference: economic evaluation of implant-supported prostheses.

PubMed

Beikler, Thomas; Flemmig, Thomas F

2015-09-01

There are various alternatives for the management of oral conditions that may lead to or already have lead to partial or full edentulism. Economic evaluations measure the efficiency of alternative healthcare interventions and provide useful information for decision-making and the allocation of scarce resources. The current English literature dealing with "cost-effectiveness" of dental implant therapy versus different alternative treatment modalities, that is, complete and fixed partial dentures, root canal, and periodontal treatment, has been included in this narrative review. Due to the high heterogeneity within the literature, a meta-analysis could not be conducted. The available evidence from economic evaluations indicated that for the treatment of central incisors with irreversible pulpitis and coronal lesions, root canal treatments were most cost-effective initial treatment options. When initial root canal treatments failed, orthograde retreatments were most cost-effective. When root canal retreatments failed, extractions and replacement with single implant-supported crowns were more cost-effective compared to fixed or removable partial dentures. In the treatment of periodontitis in molars with Class I furcation invasion, non-surgical periodontal therapy was more effective and costed less than implant-supported single crowns. For the replacement of single missing teeth, two evaluations indicated that implant-supported single crowns provided better outcomes in terms of greater quality-adjusted tooth years or survival rates at lower costs compared to fixed partial prostheses. Another economic evaluation found that implant-supported crowns costed more, but provided greater survival rates compared to fixed partial dentures. For the restoration of edentulous mandibles, two evaluations indicated that overdentures retained by two or four implants improved oral health-related quality of life outcomes, but costed more than complete dentures. To better assess the efficiency of implant-supported prostheses in various clinical conditions, more economic evaluations are needed that follow well-established methodologies in health economics. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Charge-regularized swelling kinetics of polyelectrolyte gels: Elasticity and diffusion

NASA Astrophysics Data System (ADS)

Sen, Swati; Kundagrami, Arindam

2017-11-01

We apply a recently developed method [S. Sen and A. Kundagrami, J. Chem. Phys. 143, 224904 (2015)], using a phenomenological expression of osmotic stress, as a function of polymer and charge densities, hydrophobicity, and network elasticity for the swelling of spherical polyelectrolyte (PE) gels with fixed and variable charges in a salt-free solvent. This expression of stress is used in the equation of motion of swelling kinetics of spherical PE gels to numerically calculate the spatial profiles for the polymer and free ion densities at different time steps and the time evolution of the size of the gel. We compare the profiles of the same variables obtained from the classical linear theory of elasticity and quantitatively estimate the bulk modulus of the PE gel. Further, we obtain an analytical expression of the elastic modulus from the linearized expression of stress (in the small deformation limit). We find that the estimated bulk modulus of the PE gel decreases with the increase of its effective charge for a fixed degree of deformation during swelling. Finally, we match the gel-front locations with the experimental data, taken from the measurements of charged reversible addition-fragmentation chain transfer gels to show an increase in gel-size with charge and also match the same for PNIPAM (uncharged) and imidazolium-based (charged) minigels, which specifically confirms the decrease of the gel modulus value with the increase of the charge. The agreement between experimental and theoretical results confirms general diffusive behaviour for swelling of PE gels with a decreasing bulk modulus with increasing degree of ionization (charge). The new formalism captures large deformations as well with a significant variation of charge content of the gel. It is found that PE gels with large deformation but same initial size swell faster with a higher charge.

Electrophoresis of a charged soft particle in a charged cavity with arbitrary double-layer thickness.

PubMed

Chen, Wei J; Keh, Huan J

2013-08-22

An analysis for the quasi-steady electrophoretic motion of a soft particle composed of a charged spherical rigid core and an adsorbed porous layer positioned at the center of a charged spherical cavity filled with an arbitrary electrolyte solution is presented. Within the porous layer, frictional segments with fixed charges are assumed to distribute uniformly. Through the use of the linearized Poisson-Boltzmann equation and the Laplace equation, the equilibrium double-layer potential distribution and its perturbation caused by the applied electric field are separately determined. The modified Stokes and Brinkman equations governing the fluid flow fields outside and inside the porous layer, respectively, are solved subsequently. An explicit formula for the electrokinetic migration velocity of the soft particle in terms of the fixed charge densities on the rigid core surface, in the porous layer, and on the cavity wall is obtained from a balance between its electrostatic and hydrodynamic forces. This formula is valid for arbitrary values of κa, λa, r0/a, and a/b, where κ is the Debye screening parameter, λ is the reciprocal of the length characterizing the extent of flow penetration inside the porous layer, a is the radius of the soft particle, r0 is the radius of the rigid core of the particle, and b is the radius of the cavity. In the limiting cases of r0 = a and r0 = 0, the migration velocity for the charged soft sphere reduces to that for a charged impermeable sphere and that for a charged porous sphere, respectively, in the charged cavity. The effect of the surface charge at the cavity wall on the particle migration can be significant, and the particle may reverse the direction of its migration.

How to Estimate Demand Charge Savings from PV on Commercial Buildings

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

Gagnon, Pieter J; Bird, Lori A

Rooftop photovoltaic (PV) systems are compensated through retail electricity tariffs - and for commercial and industrial customers, these are typically comprised of three components: a fixed monthly charge, energy charges, and demand charges. Of these, PV's ability to reduce demand charges has traditionally been the most difficult to estimate. In this fact sheet we explain the basics of demand charges, and provide a new method that a potential customer or PV developer can use to estimate a range of potential demand charge savings for a proposed PV system. These savings can then be added to other project cash flows, inmore » assessing the project's financial performance.« less

Comparison of using different bridge prosthetic designs for partial defect restoration through mathematical modeling.

PubMed

Styranivska, Oksana; Kliuchkovska, Nataliia; Mykyyevych, Nataliya

2017-01-01

To analyze the stress-strain states of bone and abutment teeth during the use of different prosthetic designs of fixed partial dentures with the use of relevant mathematical modeling principles. The use of Comsol Multiphysics 3.5 (Comsol AB, Sweden) software during the mathematical modeling of stress-strain states provided numerical data for analytical interpretation in three different clinical scenarios with fixed dentures and different abutment teeth and demountable prosthetic denture with the saddle-shaped intermediate part. Microsoft Excel Software (Microsoft Office 2017) helped to evaluate absolute mistakes of stress and strain parameters of each abutment tooth during three modeled scenarios and normal condition and to summarize data into the forms of tables. In comparison with the fixed prosthetic denture supported by the canine, first premolar, and third molar, stresses at the same abutment teeth with the use of demountable denture with the saddle-shaped intermediate part decreased: at the mesial abutment tooth by 2.8 times, at distal crown by 6.1 times, and at the intermediate part by 11.1 times, respectively, the deformation level decreased by 3.1, 1.9, and 1.4 times at each area. The methods of mathematical modeling proved that complications during the use of fixed partial dentures based on the overload effect of the abutment teeth and caused by the deformation process inside the intermediate section of prosthetic construction.

Primary energy reconstruction from the charged particle densities recorded at 500 m distance from shower core with the KASCADE-Grande detector

NASA Astrophysics Data System (ADS)

Toma, G.; Apel, W. D.; Arteaga, J. C.; Bekk, K.; Bertaina, M.; Blümer, J.; Bozdog, H.; Brâncuş, I. M.; Buchholz, P.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; di Pierro, F.; Doll, P.; Engel, R.; Engler, J.; Finger, M.; Fuhrmann, D.; Ghia, P. L.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huege, T.; Isar, P. G.; Kampert, K.-H.; Kang, D.; Kickelbick, D.; Klages, H. O.; Link, K.; Łuczak, P.; Ludwig, M.; Mathes, H. J.; Mayer, H. J.; Melissas, M.; Milke, J.; Mitrică, B.; Morello, C.; Navarra, G.; Nehls, S.; Oehlschläger, J.; Ostapchenko, S.; Over, S.; Palmieri, N.; Petcu, M.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schröder, F. G.; Sima, O.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Wommer, M.; Zabierowski, J.

2011-05-01

Previous EAS investigations have shown that for a fixed primary energy the charged particle density becomes independent of the primary mass at certain (fixed) distances from the shower axis. This feature can be used as an estimator for the primary energy. We present results on the reconstruction of the primary energy spectrum of cosmic rays from the experimentally recorded S(500) observable (the density of charged particles at a distance of 500 m to the shower core as measured in a plane normal to the shower axis) using the KASCADE-Grande detector array. The KASCADE-Grande experiment is hosted by the Karlsruhe Institute for Technology - Campus North, Karlsruhe, Germany, 110 m a.s.l. and operated by an international collaboration. The obtained primary energy spectrum is presented along with the result of another reconstruction technique presently employed at KASCADE-Grande.

Electron teleportation and statistical transmutation in multiterminal Majorana islands

NASA Astrophysics Data System (ADS)

Michaeli, Karen; Landau, L. Aviad; Sela, Eran; Fu, Liang

2017-11-01

We study a topological superconductor island with spatially separated Majorana modes coupled to multiple normal-metal leads by single-electron tunneling in the Coulomb blockade regime. We show that low-temperature transport in such a Majorana island is carried by an emergent charge-e boson composed of a Majorana mode and an electronic excitation in leads. This transmutation from Fermi to Bose statistics has remarkable consequences. For noninteracting leads, the system flows to a non-Fermi-liquid fixed point, which is stable against tunnel couplings anisotropy or detuning away from the charge-degeneracy point. As a result, the system exhibits a universal conductance at zero temperature, which is a fraction of the conductance quantum, and low-temperature corrections with a universal power-law exponent. In addition, we consider Majorana islands connected to interacting one-dimensional leads, and find different stable fixed points near and far from the charge-degeneracy point.

Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension.

PubMed

Armstrong, M Stuart; Finn, Paul W; Morris, Garrett M; Richards, W Graham

2011-08-01

In a previous paper, we presented the ElectroShape method, which we used to achieve successful ligand-based virtual screening. It extended classical shape-based methods by applying them to the four-dimensional shape of the molecule where partial charge was used as the fourth dimension to capture electrostatic information. This paper extends the approach by using atomic lipophilicity (alogP) as an additional molecular property and validates it using the improved release 2 of the Directory of Useful Decoys (DUD). When alogP replaced partial charge, the enrichment results were slightly below those of ElectroShape, though still far better than purely shape-based methods. However, when alogP was added as a complement to partial charge, the resulting five-dimensional enrichments shows a clear improvement in performance. This demonstrates the utility of extending the ElectroShape virtual screening method by adding other atom-based descriptors.

Retrospective analysis of porcelain failures of metal ceramic crowns and fixed partial dentures supported by 729 implants in 152 patients: patient-specific and implant-specific predictors of ceramic failure.

PubMed

Kinsel, Richard P; Lin, Dongming

2009-06-01

Porcelain fracture associated with an implant-supported, metal ceramic crown or fixed partial denture occurs at a higher rate than in tooth-supported restorations, according to the literature. Implant-specific and patient-specific causes of ceramic failure have not been fully evaluated. The purpose of this retrospective study was to evaluate the potential statistical predictors for porcelain fracture of implant-supported, metal ceramic restorations. Over a 6-month period, a consecutive series of patients having previously received implant-supported, metal ceramic fixed restorations were examined during periodic recall appointments. The number of supporting implants, number of dental units, type of restoration, date of prosthesis insertion, location in the dental arch, opposing dentition, type of occlusion, presence of parafunctional habits, use of an occlusal protective device, presence or absence of ceramic fractures, gender, and age were recorded for each patient. The generalized estimating equation (GEE) approach was used for the intrasubject correlated measurements analysis of categorical outcomes (presence or absence of ceramic fractures) to determine which patient- and implant-specific factors would predict porcelain fracture (alpha=.05). Data were collected from 152 patients representing 998 dental units (390 single crowns and 94 fixed partial dentures) supported by 729 implants. Porcelain fractures of 94 dental units occurred in 35 patients. The fractures were significantly (P<.05) associated with opposing implant-supported metal ceramic restorations, bruxism, and not wearing a protective occlusal device. Metal ceramic prostheses (single crown or fixed partial dentures) had approximately 7 times higher odds of porcelain fracture (odds ratio (OR)=7.06; 95% confidence interval (CI): 2.57 to 19.37) and 13 times greater odds of a fracture requiring either repair or replacement (OR=13.95; 95% CI: 2.25 to 86.41) when in occlusion with another implant-supported restoration, as compared to opposing a natural tooth. In addition, patients exhibiting bruxism or not wearing an occlusal device had approximately 7 times higher odds (OR=7.23; 95% CI: 3.86 to 13.54), and 2 times higher odds (OR=1.92; 95% CI: 1.01 to 3.67) of porcelain fracture when compared to patients without bruxism and patients not wearing an occlusal device. Implant-supported metal ceramic single crowns and fixed partial dentures were found to have a significantly higher risk of porcelain fracture in patients with bruxism habits, when a protective occlusal device was not used, and when the restoration opposed another implant-supported metal ceramic restoration.

Safety hazards associated with the charging of lithium/sulfur dioxide cells

NASA Technical Reports Server (NTRS)

Frank, H.; Halpert, G.; Lawson, D. D.; Barnes, J. A.; Bis, R. F.

1986-01-01

A continuing research program to assess the responses of spirally wound, lithium/sulfur dioxide cells to charging as functions of charging current, temperature, and cell condition prior to charging is described. Partially discharged cells that are charged at currents greater than one ampere explode with the time to explosion inversely proportional to the charging current. Cells charged at currents of less than one ampere may fail in one of several modes. The data allows an empirical prediction of when certain cells will fail given a constant charging current.

MC3, Version 1

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

Cawkwell, Marc Jon

2016-09-09

The MC3 code is used to perform Monte Carlo simulations in the isothermal-isobaric ensemble (constant number of particles, temperature, and pressure) on molecular crystals. The molecules within the periodic simulation cell are treated as rigid bodies, alleviating the requirement for a complex interatomic potential. Intermolecular interactions are described using generic, atom-centered pair potentials whose parameterization is taken from the literature [D. E. Williams, J. Comput. Chem., 22, 1154 (2001)] and electrostatic interactions arising from atom-centered, fixed, point partial charges. The primary uses of the MC3 code are the computation of i) the temperature and pressure dependence of lattice parameters andmore » thermal expansion coefficients, ii) tensors of elastic constants and compliances via the Parrinello and Rahman’s fluctuation formula [M. Parrinello and A. Rahman, J. Chem. Phys., 76, 2662 (1982)], and iii) the investigation of polymorphic phase transformations. The MC3 code is written in Fortran90 and requires LAPACK and BLAS linear algebra libraries to be linked during compilation. Computationally expensive loops are accelerated using OpenMP.« less

47 CFR 1.1107 - Schedule of charges for applications and other filings for the international services.

Code of Federal Regulations, 2010 CFR

2010-10-01

.... Assignments or transfers (all services) Corres & 159 1,015.00 CUT 3. Fixed Satellite Transmit/Receive Earth... 175.00 CGX 4. Fixed Satellite transmit/receive Earth Stations (2 meters or less operating in the 4/6... Only Earth Stations: a. Initial Applications for Registration or License (per station) 312 Main...

33 CFR 67.40-20 - Charges invoiced to owner.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 33 Navigation and Navigable Waters 1 2011-07-01 2011-07-01 false Charges invoiced to owner. 67.40-20 Section 67.40-20 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY AIDS TO NAVIGATION AIDS TO NAVIGATION ON ARTIFICIAL ISLANDS AND FIXED STRUCTURES Notification § 67.40-20...

33 CFR 67.40-20 - Charges invoiced to owner.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Charges invoiced to owner. 67.40-20 Section 67.40-20 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY AIDS TO NAVIGATION AIDS TO NAVIGATION ON ARTIFICIAL ISLANDS AND FIXED STRUCTURES Notification § 67.40-20...

Kinetics of electrically and chemically induced swelling in polyelectrolyte gels

NASA Astrophysics Data System (ADS)

Grimshaw, P. E.; Nussbaum, J. H.; Grodzinsky, A. J.; Yarmush, M. L.

1990-09-01

Controlled swelling and shrinking of polyelectrolyte gels is useful for regulating the transport of solutes into, out of, and through these materials. A macroscopic continuum model is presented to predict the kinetics of swelling in polyelectrolyte gel membranes induced by augmentation of electrostatic swelling forces arising from membrane fixed charge groups. The model accounts for ionic transport within the membrane, electrodiffusion phenomena, dissociation of membrane charge groups, intramembrane fluid flow, and mechanical deformation of the membrane matrix. Model predictions are compared with measurements of chemically and electrically induced swelling and shrinking in crosslinked polymethacrylic acid (PMAA) membranes. Large, reversible changes in PMAA membrane hydration were observed after changing the bath pH or by applying an electric field to modify the intramembrane ionic environment and fixed charge density. A relatively slow swelling process and more rapid shrinking for both chemical and electrical modulation of the intramembrane pH are observed. The model indicates that retardation of membrane swelling is dominated by diffusion-limited reaction of H+ ions with membrane charge groups, and that the more rapid shrinking is limited primarily by mechanical processes.

Self-Consistent Determination of Atomic Charges of Ionic Liquid through a Combination of Molecular Dynamics Simulation and Density Functional Theory.

PubMed

Ishizuka, Ryosuke; Matubayasi, Nobuyuki

2016-02-09

A self-consistent scheme is developed to determine the atomic partial charges of ionic liquid. Molecular dynamics (MD) simulation was conducted to sample a set of ion configurations, and these configurations were subject to density functional theory (DFT) calculations to determine the partial charges. The charges were then averaged and used as inputs for the subsequent MD simulation, and MD and DFT calculations were repeated until the MD results are not altered any more. We applied this scheme to 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ([C1mim][NTf2]) and investigated its structure and dynamics as a function of temperature. At convergence, the average ionic charges were ±0.84 e at 350 K due to charge transfer among ions, where e is the elementary charge, while the reduced ionic charges do not affect strongly the density of [C1mim][NTf2] and radial distribution function. Instead, major effects are found on the energetics and dynamics, with improvements of the overestimated heat of vaporization and the too slow motions of ions observed in MD simulations using commonly used force fields.

The dynamics of energy and charge transfer in low and hyperthermal energy ion-solid interactions

NASA Astrophysics Data System (ADS)

Ray, Matthew Preston

The energy and charge transfer dynamics for low and hyperthermal energy (10 eV to 2 keV) alkali and noble gas ions impacting noble metals as a function of incident energy, species and scattering geometry has been studied. The experiments were performed in an ultra-high vacuum scattering chamber attached to a low and hyperthermal energy beamline. The energy transfer was measured for K+ scattered from a Ag(001) surface along the [110] crystalline direction at a fixed laboratory angle of 90°. It was found that as the incident energy is reduced from 100 to 10 eV, the normalized scattered energy increased. Previous measurements have shown a decrease in the normalized energy as the incident ion energy is reduced due to an attractive image force. Trajectory analysis of the data using a classical scattering simulation revealed that instead of undergoing sequential binary collisions as in previous studies, the ion scatters from two surface atoms simultaneously leading to an increased normalized energy. Additionally, charge transfer measurements have been performed for Na + scattering from Ag(001) along the [110] crystalline direction at a fixed laboratory angle of 70°. It was found that over the range of energies used (10 eV to 2 keV), the neutralization probability of the scattered ions varied from ˜30% to ˜70% depending on the incident velocity, consistent with resonant charge transfer. A fully quantum mechanical model that treats electrons independently accurately reproduces the observed data. Measurements of electron-hole pair excitations were used to explore the pathways which a solid uses to dissipate the energy imparted by the incident ion beam. Ultrathin film (10 nm) metal-oxide-semiconductor (Au/SiO2/n-Si) devices were used to detect the electron-hole pairs for cases when the ion deposited all of its translational energy into the solid. The incident ions were incident at an angle normal to the surface of the device to maximize energy deposition and consequently electron-hole pair production. The rectifying metal-oxide-semiconductor device separates the electrons from the holes, allowing a current associated with electron-hole pair production to be measured. In these experiments a number of ion species (He+, Li+ , Ar+, K+) were made incident on multiple devices and the incident energy ranged from 100 eV to 2 keV. It was found that electron-hole pair production increased with incident ion velocity consistent with a kinetic electron excitation model where the electrons in the metal are partially confined to the surface.

19 CFR 351.510 - Indirect taxes and import charges (other than export programs).

Code of Federal Regulations, 2010 CFR

2010-04-01

... OF COMMERCE ANTIDUMPING AND COUNTERVAILING DUTIES Identification and Measurement of Countervailable Subsidies § 351.510 Indirect taxes and import charges (other than export programs). (a) Benefit—(1... the full or partial exemption or remission of an indirect tax or an import charge, a benefit exists to...

A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening

PubMed Central

2014-01-01

Background Measures of similarity for chemical molecules have been developed since the dawn of chemoinformatics. Molecular similarity has been measured by a variety of methods including molecular descriptor based similarity, common molecular fragments, graph matching and 3D methods such as shape matching. Similarity measures are widespread in practice and have proven to be useful in drug discovery. Because of our interest in electrostatics and high throughput ligand-based virtual screening, we sought to exploit the information contained in atomic coordinates and partial charges of a molecule. Results A new molecular descriptor based on partial charges is proposed. It uses the autocorrelation function and linear binning to encode all atoms of a molecule into two rotation-translation invariant vectors. Combined with a scoring function, the descriptor allows to rank-order a database of compounds versus a query molecule. The proposed implementation is called ACPC (AutoCorrelation of Partial Charges) and released in open source. Extensive retrospective ligand-based virtual screening experiments were performed and other methods were compared with in order to validate the method and associated protocol. Conclusions While it is a simple method, it performed remarkably well in experiments. At an average speed of 1649 molecules per second, it reached an average median area under the curve of 0.81 on 40 different targets; hence validating the proposed protocol and implementation. PMID:24887178

Two-unit cantilevered resin-bonded fixed partial denture as a substitute for a prosthodontic-orthodontic treatment plan: a 5-year case report.

PubMed

Emami, Elham; St-Georges, Annie; de Grandmont, Pierre

2012-01-01

In this case report, we describe the successful long-term treatment of a patient with dental agenesis. The initial treatment plan included an orthodontic phase to provide adequate space for replacing missing lateral incisors with implants. However, because of some complications encountered after 2 years of orthodontic treatment, a revised treatment plan was considered to achieve functional and esthetic goals. The patient was completely satisfied 5 years after being treated with two 2-unit cantilevered resin-bonded fixed partial dentures supported by the cuspids. This conservative treatment plan was cost-effective without having any significant biological cost.

2016 International Conference on Charged Lepton Flavor Violation

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

Dukes, Edmond Craig

Partial support for participation for students and postdocs who wished to attend to give poster presentations at the 2016 International Conference on Charged Lepton Flavor Violation (CLFV 2016) in Charlottesville, VA.

Cost accounting in a surgical unit in a teaching hospital--a pilot study.

PubMed

Malalasekera, A P; Ariyaratne, M H; Fernando, R; Perera, D; Deen, K I

2003-09-01

Economic constraints remain one of the major limitations on the quality of health care even in industrialised countries. Improvement of quality will require optimising facilities within available resources. Our objective was to determine costs of surgery and to identify areas where cost reduction is possible. 80 patients undergoing routine major and intermediate surgery during a period of 6 months were selected at random. All consumables used and procedures carried out were documented. A unit cost was assigned to each of these. Costing was based on 3 main categories: preoperative (investigations, blood product related costs), operative (anaesthetic charges, consumables and theatre charges) and post-operative (investigations, consumables, hospital stay). Theatre charges included two components: fixed (consumables) and variable (dependent on time per operation). The indirect costs (e.g. administration costs, 'hotel' costs), accounted for 30%, of the total and were lower than similar costs in industrialised nations. The largest contributory factors (median, range) towards total cost were, basic hospital charges (30%; 15 to 63%); theatre charges fixed (23%; 6 to 35%) and variable (14%; 8 to 27%); and anaesthetic charges (15%; 1 to 36%). Cost reduction in patients undergoing surgery should focus on decreasing hospital stay, operating theatre time and anaesthetic expenditure. Although definite measures can be suggested from the study, further studies on these variables are necessary to optimise cost effectiveness of surgical units.

PHEPS: web-based pH-dependent Protein Electrostatics Server

PubMed Central

Kantardjiev, Alexander A.; Atanasov, Boris P.

2006-01-01

PHEPS (pH-dependent Protein Electrostatics Server) is a web service for fast prediction and experiment planning support, as well as for correlation and analysis of experimentally obtained results, reflecting charge-dependent phenomena in globular proteins. Its implementation is based on long-term experience (PHEI package) and the need to explain measured physicochemical characteristics at the level of protein atomic structure. The approach is semi-empirical and based on a mean field scheme for description and evaluation of global and local pH-dependent electrostatic properties: protein proton binding; ionic sites proton population; free energy electrostatic term; ionic groups proton affinities (pKa,i) and their Coulomb interaction with whole charge multipole; electrostatic potential of whole molecule at fixed pH and pH-dependent local electrostatic potentials at user-defined set of points. The speed of calculation is based on fast determination of distance-dependent pair charge-charge interactions as empirical three exponential function that covers charge–charge, charge–dipole and dipole–dipole contributions. After atomic coordinates input, all standard parameters are used as defaults to facilitate non-experienced users. Special attention was given to interactive addition of non-polypeptide charges, extra ionizable groups with intrinsic pKas or fixed ions. The output information is given as plain-text, readable by ‘RasMol’, ‘Origin’ and the like. The PHEPS server is accessible at . PMID:16845042

Beam efflux measurements

NASA Technical Reports Server (NTRS)

Komatsu, G. K.; Stellen, J. M., Jr.

1976-01-01

Measurements have been made of the high energy thrust ions, (Group I), high angle/high energy ions (Group II), and high angle/low energy ions (Group IV) of a mercury electron bombardment thruster in the angular divergence range from 0 deg to greater than 90 deg. The measurements have been made as a function of thrust ion current, propellant utilization efficiency, bombardment discharge voltage, screen and accelerator grid potential (accel-decel ratio) and neutralizer keeper potential. The shape of the Group IV (charge exchange) ion plume has remained essentially fixed within the range of variation of the engine operation parameters. The magnitude of the charge exchange ion flux scales with thrust ion current, for good propellant utilization conditions. For fixed thrust ion current, charge exchange ion flux increases for diminishing propellant utilization efficiency. Facility effects influence experimental accuracies within the range of propellant utilization efficiency used in the experiments. The flux of high angle/high energy Group II ions is significantly diminished by the use of minimum decel voltages on the accelerator grid. A computer model of charge exchange ion production and motion has been developed. The program allows computation of charge exchange ion volume production rate, total production rate, and charge exchange ion trajectories for "genuine" and "facilities effects" particles. In the computed flux deposition patterns, the Group I and Group IV ion plumes exhibit a counter motion.

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations [Direct Simulation of Capacitive Charging of Graphene and Implications for Supercapacitor Design

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

Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen

Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic “quantum capacitance” of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulatingmore » charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Lastly, our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.« less

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations [Direct Simulation of Capacitive Charging of Graphene and Implications for Supercapacitor Design

DOE PAGES

Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen; ...

2015-03-11

Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic “quantum capacitance” of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulatingmore » charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Lastly, our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.« less

Explicit continuous charge-based compact model for long channel heavily doped surrounding-gate MOSFETs incorporating interface traps and quantum effects

NASA Astrophysics Data System (ADS)

Hamzah, Afiq; Hamid, Fatimah A.; Ismail, Razali

2016-12-01

An explicit solution for long-channel surrounding-gate (SRG) MOSFETs is presented from intrinsic to heavily doped body including the effects of interface traps and fixed oxide charges. The solution is based on the core SRGMOSFETs model of the Unified Charge Control Model (UCCM) for heavily doped conditions. The UCCM model of highly doped SRGMOSFETs is derived to obtain the exact equivalent expression as in the undoped case. Taking advantage of the undoped explicit charge-based expression, the asymptotic limits for below threshold and above threshold have been redefined to include the effect of trap states for heavily doped cases. After solving the asymptotic limits, an explicit mobile charge expression is obtained which includes the trap state effects. The explicit mobile charge model shows very good agreement with respect to numerical simulation over practical terminal voltages, doping concentration, geometry effects, and trap state effects due to the fixed oxide charges and interface traps. Then, the drain current is obtained using the Pao-Sah's dual integral, which is expressed as a function of inversion charge densities at the source/drain ends. The drain current agreed well with the implicit solution and numerical simulation for all regions of operation without employing any empirical parameters. A comparison with previous explicit models has been conducted to verify the competency of the proposed model with the doping concentration of 1× {10}19 {{cm}}-3, as the proposed model has better advantages in terms of its simplicity and accuracy at a higher doping concentration.

Superficial Collagen Fibril Modulus and Pericellular Fixed Charge Density Modulate Chondrocyte Volumetric Behaviour in Early Osteoarthritis

PubMed Central

Turunen, Siru M.; Han, Sang Kuy; Herzog, Walter; Korhonen, Rami K.

2013-01-01

The aim of this study was to investigate if the experimentally detected altered chondrocyte volumetric behavior in early osteoarthritis can be explained by changes in the extracellular and pericellular matrix properties of cartilage. Based on our own experimental tests and the literature, the structural and mechanical parameters for normal and osteoarthritic cartilage were implemented into a multiscale fibril-reinforced poroelastic swelling model. Model simulations were compared with experimentally observed cell volume changes in mechanically loaded cartilage, obtained from anterior cruciate ligament transected rabbit knees. We found that the cell volume increased by 7% in the osteoarthritic cartilage model following mechanical loading of the tissue. In contrast, the cell volume decreased by 4% in normal cartilage model. These findings were consistent with the experimental results. Increased local transversal tissue strain due to the reduced collagen fibril stiffness accompanied with the reduced fixed charge density of the pericellular matrix could increase the cell volume up to 12%. These findings suggest that the increase in the cell volume in mechanically loaded osteoarthritic cartilage is primarily explained by the reduction in the pericellular fixed charge density, while the superficial collagen fibril stiffness is suggested to contribute secondarily to the cell volume behavior. PMID:23634175

Retrospective evaluation of complete-arch fixed partial dentures connecting teeth and implant abutments in patients with normal and reduced periodontal support.

PubMed

Cordaro, Luca; Ercoli, Carlo; Rossini, Carlo; Torsello, Ferruccio; Feng, Changyong

2005-10-01

The clinical outcome of complete-arch fixed prostheses supported by implants and natural tooth abutments in patients with normal or reduced periodontal support has been reported by few studies, with controversial results. The purpose of this study was to report on the implant success rate, prosthetic complications, and the occurrence of tooth intrusion, when complete-arch fixed prostheses, supported by a combination of implants and teeth, were fabricated for patients with normal and reduced periodontal support. Nineteen patients with residual teeth that served as abutments were consecutively treated with combined tooth- and implant-supported complete-arch fixed prostheses and were retrospectively evaluated after a period varying from 24 to 94 months. Nine patients showed reduced periodontal support as a result of periodontal disease and treatment (RPS group), and 10 patients had normal periodontal support of the abutment teeth (more than 2/3 of periodontal support [NPS group]). Ninety implants and 72 tooth abutments were used to support 19 fixed partial dentures. Screw- and cement-retained metal-ceramic and metal-resin prostheses were fabricated with rigid and nonrigid connectors. Implant survival and success rates, occurrence of caries and tooth intrusion, and prosthetic complications were recorded. The number of teeth, implants, prosthetic units, fixed partial dentures, and nonrigid connectors were compared with a t test to assess differences between the 2 groups, while data for the occurrence of intrusions and prosthetic complications were compared with the Fisher exact test (alpha=.05). One of the 90 implants was lost (99% survival rate) over 24 to 94 months, while 3 implants showed more than 2 mm of crestal bone loss (96% success rate) over the same period. No caries were detected, but 5.6% (4/72) of the abutment teeth exhibited intrusion. Intrusion of abutment teeth was noted in 3 patients who had normal periodontal support (13% of teeth in NPS group) of the abutment teeth and was associated with nonrigid connectors. No intrusion of teeth was noted in the patients exhibiting reduced periodontal support regardless of the type of connector or when a rigid connector was used for either group. The number of intruded teeth was significantly greater in patients with intact periodontal support (P=.03). Complete-arch fixed prosthesis supported by implant and tooth abutments may be associated with intrusion of teeth with intact periodontal support when nonrigid connectors are used to join the implant- and tooth-supported sections of the prostheses. However, fixed partial dentures supported by implants and teeth with reduced periodontal support were not associated with tooth intrusion, regardless of the type of connectors used.

Experimental Investigation of Piston Heat Transfer in a Light Duty Engine Under Conventional Diesel, Homogeneous Charge Compression Ignition, and Reactivity Controlled Compression Ignition Combustion Regimes

DTIC Science & Technology

2014-01-15

in a Light Duty Engine Under Conventional Diesel, Homogeneous Charge Compression Ignition , and Reactivity Controlled Compression Ignition ...Conventional Diesel (CDC), Homogeneous Charge Compression Ignition (HCCI), and Reactivity Controlled Compression Ignition (RCCI) combustion...LTC) regimes, including reactivity controlled compression ignition (RCCI), partially premixed combustion (PPC), and homogenous charge compression

Conduction Properties of KcsA Measured Using Brownian Dynamics with Flexible Carbonyl Groups in the Selectivity Filter

PubMed Central

Chung, Shin-Ho; Corry, Ben

2007-01-01

In the narrow segment of an ion conducting pathway, it is likely that a permeating ion influences the positions of the nearby atoms that carry partial or full electronic charges. Here we introduce a method of incorporating the motion of charged atoms lining the pore into Brownian dynamics simulations of ion conduction. The movements of the carbonyl groups in the selectivity filter of the KcsA channel are calculated explicitly, allowing their bond lengths, bond angles, and dihedral angels to change in response to the forces acting upon them. By systematically changing the coefficients of bond stretching and of angle bending, the carbon and oxygen atoms can be made to fluctuate from their fixed positions by varying mean distances. We show that incorporating carbonyl motion in this way does not alter the mechanism of ion conduction and only has a small influence on the computed current. The slope conductance of the channel increases by ∼25% when the root mean-square fluctuations of the carbonyl groups are increased from 0.01 to 0.61 Å. The energy profiles and the number of resident ions in the channel remain unchanged. The method we utilized here can be extended to allow the movement of glutamate or aspartate side chains lining the selectivity filters of other ionic channels. PMID:17434934

Charge Density Waves and the Hidden Nesting of Purple Bronze KMo6O17

NASA Astrophysics Data System (ADS)

Su, Lei; Pereira, Vitor

The layered purple bronze KMo6O17, with its robust triple CDW phase up to high temperatures, became the emblematic example of the ''hidden nesting'' concept. Recent experiments suggest that, on the surface layers, its CDW phase can be stabilized at much higher temperatures, and with a tenfold increase in the electronic gap in comparison with the bulk. Despite such interesting fermiology and properties, the K and Na purple bronzes remain largely unexplored systems, most particularly so at the theoretical level. We introduce the first multi-orbital effective tight-binding model to describe the effect of electron-electron interactions in this system. Upon fixing all the effective hopping parameters in the normal state against an ab-initio band structure, and with only the overall scale of the interactions as sole adjustable parameter, we find that a self-consistent Hartree-Fock solution reproduces extremely well the experimental behavior of the charge density wave (CDW) order parameter in the full range 0 < T < Tc , as well as the precise reciprocal space locations of the partial gap opening and Fermi arc development. The interaction strengths extracted from fitting to the experimental CDW gap are consistent with those derived from an independent Stoner-type analysis This work was supported by the Singapore National Research Foundation under Grant NRF-CRP6-2010-05.

Conduction properties of KcsA measured using brownian dynamics with flexible carbonyl groups in the selectivity filter.

PubMed

Chung, Shin-Ho; Corry, Ben

2007-07-01

In the narrow segment of an ion conducting pathway, it is likely that a permeating ion influences the positions of the nearby atoms that carry partial or full electronic charges. Here we introduce a method of incorporating the motion of charged atoms lining the pore into Brownian dynamics simulations of ion conduction. The movements of the carbonyl groups in the selectivity filter of the KcsA channel are calculated explicitly, allowing their bond lengths, bond angles, and dihedral angels to change in response to the forces acting upon them. By systematically changing the coefficients of bond stretching and of angle bending, the carbon and oxygen atoms can be made to fluctuate from their fixed positions by varying mean distances. We show that incorporating carbonyl motion in this way does not alter the mechanism of ion conduction and only has a small influence on the computed current. The slope conductance of the channel increases by approximately 25% when the root mean-square fluctuations of the carbonyl groups are increased from 0.01 to 0.61 A. The energy profiles and the number of resident ions in the channel remain unchanged. The method we utilized here can be extended to allow the movement of glutamate or aspartate side chains lining the selectivity filters of other ionic channels.

Optimization of intermolecular potential parameters for the CO2/H2O mixture.

PubMed

Orozco, Gustavo A; Economou, Ioannis G; Panagiotopoulos, Athanassios Z

2014-10-02

Monte Carlo simulations in the Gibbs ensemble were used to obtain optimized intermolecular potential parameters to describe the phase behavior of the mixture CO2/H2O, over a range of temperatures and pressures relevant for carbon capture and sequestration processes. Commonly used fixed-point-charge force fields that include Lennard-Jones 12-6 (LJ) or exponential-6 (Exp-6) terms were used to describe CO2 and H2O intermolecular interactions. For force fields based on the LJ functional form, changes of the unlike interactions produced higher variations in the H2O-rich phase than in the CO2-rich phase. A major finding of the present study is that for these potentials, no combination of unlike interaction parameters is able to adequately represent properties of both phases. Changes to the partial charges of H2O were found to produce significant variations in both phases and are able to fit experimental data in both phases, at the cost of inaccuracies for the pure H2O properties. By contrast, for the Exp-6 case, optimization of a single parameter, the oxygen-oxygen unlike-pair interaction, was found sufficient to give accurate predictions of the solubilities in both phases while preserving accuracy in the pure component properties. These models are thus recommended for future molecular simulation studies of CO2/H2O mixtures.

77 FR 40398 - Self-Regulatory Organizations; Fixed Income Clearing Corporation; Order Approving Proposed Rule...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-09

... prices of financial products that have maturity dates in the future as part of the volatility model in... Volatility Model in Its Clearing Fund Formula July 2, 2012. I. Introduction On May 15, 2012, the Fixed Income... simulation model currently used to calculate the VaR Charge in GSD's Clearing Fund formula is driven by...

75 FR 48734 - Self-Regulatory Organizations; EDGX Exchange, Inc.; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-11

...) ISE FIX Session Fees The Exchange proposes to charge for legacy ISE \\4\\ Financial Information Exchange...-79). \\5\\ As stated in SR-ISE-2007-79, the ISE used the Financial Information Exchange (FIX) protocol... will provide Members a $0.0031 rebate per share for liquidity added on EDGX if the Member on a daily...

48 CFR 52.247-37 - F.o.b. Vessel, Port of Shipment.

Code of Federal Regulations, 2011 CFR

2011-10-01

... conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment on board the ocean vessel in good order and condition on the date or within the period fixed; and (ii) Pay and bear all charges incurred in placing the shipment...

48 CFR 47.303-9 - F.o.b. vessel, port of shipment.

Code of Federal Regulations, 2012 CFR

2012-10-01

... conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment on board the ocean vessel in good order and condition on the date or within the period fixed; and (ii) Pay and bear all charges incurred in placing the shipment...

48 CFR 47.303-9 - F.o.b. vessel, port of shipment.

Code of Federal Regulations, 2014 CFR

2014-10-01

... conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment on board the ocean vessel in good order and condition on the date or within the period fixed; and (ii) Pay and bear all charges incurred in placing the shipment...

48 CFR 52.247-37 - F.o.b. Vessel, Port of Shipment.

Code of Federal Regulations, 2013 CFR

2013-10-01

... conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment on board the ocean vessel in good order and condition on the date or within the period fixed; and (ii) Pay and bear all charges incurred in placing the shipment...

48 CFR 52.247-37 - F.o.b. Vessel, Port of Shipment.

Code of Federal Regulations, 2012 CFR

2012-10-01

... conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment on board the ocean vessel in good order and condition on the date or within the period fixed; and (ii) Pay and bear all charges incurred in placing the shipment...

48 CFR 47.303-9 - F.o.b. vessel, port of shipment.

Code of Federal Regulations, 2013 CFR

2013-10-01

... conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment on board the ocean vessel in good order and condition on the date or within the period fixed; and (ii) Pay and bear all charges incurred in placing the shipment...

48 CFR 47.303-9 - F.o.b. vessel, port of shipment.

Code of Federal Regulations, 2011 CFR

2011-10-01

... conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment on board the ocean vessel in good order and condition on the date or within the period fixed; and (ii) Pay and bear all charges incurred in placing the shipment...

48 CFR 52.247-37 - F.o.b. Vessel, Port of Shipment.

Code of Federal Regulations, 2014 CFR

2014-10-01

... conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment on board the ocean vessel in good order and condition on the date or within the period fixed; and (ii) Pay and bear all charges incurred in placing the shipment...

Experimental study on heat transfer enhancement of laminar ferrofluid flow in horizontal tube partially filled porous media under fixed parallel magnet bars

NASA Astrophysics Data System (ADS)

Sheikhnejad, Yahya; Hosseini, Reza; Saffar Avval, Majid

2017-02-01

In this study, steady state laminar ferroconvection through circular horizontal tube partially filled with porous media under constant heat flux is experimentally investigated. Transverse magnetic fields were applied on ferrofluid flow by two fixed parallel magnet bar positioned on a certain distance from beginning of the test section. The results show promising notable enhancement in heat transfer as a consequence of partially filled porous media and magnetic field, up to 2.2 and 1.4 fold enhancement were observed in heat transfer coefficient respectively. It was found that presence of both porous media and magnetic field simultaneously can highly improve heat transfer up to 2.4 fold. Porous media of course plays a major role in this configuration. Virtually, application of Magnetic field and porous media also insert higher pressure loss along the pipe which again porous media contribution is higher that magnetic field.

Evaluation of the constant potential method in simulating electric double-layer capacitors

NASA Astrophysics Data System (ADS)

Wang, Zhenxing; Yang, Yang; Olmsted, David L.; Asta, Mark; Laird, Brian B.

2014-11-01

A major challenge in the molecular simulation of electric double layer capacitors (EDLCs) is the choice of an appropriate model for the electrode. Typically, in such simulations the electrode surface is modeled using a uniform fixed charge on each of the electrode atoms, which ignores the electrode response to local charge fluctuations in the electrolyte solution. In this work, we evaluate and compare this Fixed Charge Method (FCM) with the more realistic Constant Potential Method (CPM), [S. K. Reed et al., J. Chem. Phys. 126, 084704 (2007)], in which the electrode charges fluctuate in order to maintain constant electric potential in each electrode. For this comparison, we utilize a simplified LiClO4-acetonitrile/graphite EDLC. At low potential difference (ΔΨ ⩽ 2 V), the two methods yield essentially identical results for ion and solvent density profiles; however, significant differences appear at higher ΔΨ. At ΔΨ ⩾ 4 V, the CPM ion density profiles show significant enhancement (over FCM) of "inner-sphere adsorbed" Li+ ions very close to the electrode surface. The ability of the CPM electrode to respond to local charge fluctuations in the electrolyte is seen to significantly lower the energy (and barrier) for the approach of Li+ ions to the electrode surface.

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations

NASA Astrophysics Data System (ADS)

Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen; Otani, Minoru; Wood, Brandon C.

2015-03-01

Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic "quantum capacitance" of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulating charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.

Mouse hepatitis virus immunofluorescence in formalin- or Bouin's-fixed tissues using trypsin digestion.

PubMed

Brownstein, D G; Barthold, S W

1982-02-01

Mouse hepatitis viral antigens were demonstrated by immunofluorescence in formalin- and Bouin's-fixed tissues processed routinely for histopathology followed by partial digestion with trypsin. Staining was superior in tissues fixed in formalin and was not diminished in tissue sections from paraffin blocks stored at room temperature as long as 2 years. The relative ease of this procedure and the commercial availability of reagents makes this a useful technique for the definitive diagnosis of mouse hepatitis virus infection.

Avoiding revenue loss due to 'lesser of' contract clauses.

PubMed

Stodolak, Frederick; Gutierrez, Henry

2014-08-01

Finance managers seeking to avoid lost revenue attributable to lesser-of-charge-or-fixed-fee (lesser-of) clauses in their contracts should: Identify payer contracts that contain lesser-of clauses. Prepare lesser-of lost-revenue reports for non-bundled and bundled rates. For claims with covered charges below the bundled rate, identify service codes associated with the greatest proportion of total gross revenue and determine new, higher charge levels for those codes. Establish an approach for setting charges for non-bundled fee schedules to address lost-revenue-related issues. Incorporate changes into overall strategic or hospital zero-based pricing modeling and parameters.

Gauge fixing and BFV quantization

NASA Astrophysics Data System (ADS)

Rogers, Alice

2000-01-01

Non-singularity conditions are established for the Batalin-Fradkin-Vilkovisky (BFV) gauge-fixing fermion which are sufficient for it to lead to the correct path integral for a theory with constraints canonically quantized in the BFV approach. The conditions ensure that the anticommutator of this fermion with the BRST charge regularizes the path integral by regularizing the trace over non-physical states in each ghost sector. The results are applied to the quantization of a system which has a Gribov problem, using a non-standard form of the gauge-fixing fermion.

Holographic Van der Waals phase transition of the higher-dimensional electrically charged hairy black hole

NASA Astrophysics Data System (ADS)

Li, Hui-Ling; Feng, Zhong-Wen; Zu, Xiao-Tao

2018-01-01

With motivation by holography, employing black hole entropy, two-point connection function and entanglement entropy, we show that, for the higher-dimensional Anti-de Sitter charged hairy black hole in the fixed charged ensemble, a Van der Waals-like phase transition can be observed. Furthermore, based on the Maxwell equal-area construction, we check numerically the equal-area law for a first order phase transition in order to further characterize the Van der Waals-like phase transition.

Removable partial overdentures with natural root structure and osseointegrated fixtures.

PubMed

Jackson, T R

1990-10-01

The development and refinement of osseointegration have had primary impetus in treatment of the totally edentulous patient. The same principles, however, may be applied to the partially edentulous patient. Osseointegrated fixtures used in conjunction with mechanical or magnetic attachments may be used to construct partial or full overdentures. This allows treatment with removable prosthodontics in many cases in which it is not practical to achieve anchorage for a fixed prosthesis.

Nitrogen-doped partially reduced graphene oxide rewritable nonvolatile memory.

PubMed

Seo, Sohyeon; Yoon, Yeoheung; Lee, Junghyun; Park, Younghun; Lee, Hyoyoung

2013-04-23

As memory materials, two-dimensional (2D) carbon materials such as graphene oxide (GO)-based materials have attracted attention due to a variety of advantageous attributes, including their solution-processability and their potential for highly scalable device fabrication for transistor-based memory and cross-bar memory arrays. In spite of this, the use of GO-based materials has been limited, primarily due to uncontrollable oxygen functional groups. To induce the stable memory effect by ionic charges of a negatively charged carboxylic acid group of partially reduced graphene oxide (PrGO), a positively charged pyridinium N that served as a counterion to the negatively charged carboxylic acid was carefully introduced on the PrGO framework. Partially reduced N-doped graphene oxide (PrGODMF) in dimethylformamide (DMF) behaved as a semiconducting nonvolatile memory material. Its optical energy band gap was 1.7-2.1 eV and contained a sp2 C═C framework with 45-50% oxygen-functionalized carbon density and 3% doped nitrogen atoms. In particular, rewritable nonvolatile memory characteristics were dependent on the proportion of pyridinum N, and as the proportion of pyridinium N atom decreased, the PrGODMF film lost memory behavior. Polarization of charged PrGODMF containing pyridinium N and carboxylic acid under an electric field produced N-doped PrGODMF memory effects that followed voltage-driven rewrite-read-erase-read processes.

Inductive electronegativity scale. Iterative calculation of inductive partial charges.

PubMed

Cherkasov, Artem

2003-01-01

A number of novel QSAR descriptors have been introduced on the basis of the previously elaborated models for steric and inductive effects. The developed "inductive" parameters include absolute and effective electronegativity, atomic partial charges, and local and global chemical hardness and softness. Being based on traditional inductive and steric substituent constants these 3D descriptors provide a valuable insight into intramolecular steric and electronic interactions and can find broad application in structure-activity studies. Possible interpretation of physical meaning of the inductive descriptors has been suggested by considering a neutral molecule as an electrical capacitor formed by charged atomic spheres. This approximation relates inductive chemical softness and hardness of bound atom(s) with the total area of the facings of electrical capacitor formed by the atom(s) and the rest of the molecule. The derived full electronegativity equalization scheme allows iterative calculation of inductive partial charges on the basis of atomic electronegativities, covalent radii, and intramolecular distances. A range of inductive descriptors has been computed for a variety of organic compounds. The calculated inductive charges in the studied molecules have been validated by experimental C-1s Electron Core Binding Energies and molecular dipole moments. Several semiempirical chemical rules, such as equalized electronegativity's arithmetic mean, principle of maximum hardness, and principle of hardness borrowing could be explicitly illustrated in the framework of the developed approach.

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

PubMed

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

2016-03-14

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

Application of hyperspherical harmonics expansion method to the low-lying bound S-states of exotic two-muon three-body systems

NASA Astrophysics Data System (ADS)

Khan, Md. Abdul

2014-09-01

In this paper, energies of the low-lying bound S-states (L = 0) of exotic three-body systems, consisting a nuclear core of charge +Ze (Z being atomic number of the core) and two negatively charged valence muons, have been calculated by hyperspherical harmonics expansion method (HHEM). The three-body Schrödinger equation is solved assuming purely Coulomb interaction among the binary pairs of the three-body systems XZ+μ-μ- for Z = 1 to 54. Convergence pattern of the energies have been checked with respect to the increasing number of partial waves Λmax. For available computer facilities, calculations are feasible up to Λmax = 28 partial waves, however, calculation for still higher partial waves have been achieved through an appropriate extrapolation scheme. The dependence of bound state energies has been checked against increasing nuclear charge Z and finally, the calculated energies have been compared with the ones of the literature.

A FLEXIBLE APPROACH FOR EVALUATING FIXED RATIO MIXTURES OF FULL AND PARTIAL AGONISTS FOR MIXTURES OF MANY CHEMICALS.

EPA Science Inventory

Detecting interaction in chemical mixtures can be complicated by differences in the shapes of the dose-response curves of the individual components (e.g. mixtures of full and partial agonists with differing response maxima). We present an analysis scheme where flexible single che...

Prosthetic Rehabilitation After Fibular Free Flap Surgery of Mandibular Defects in a Patient With Oral Squamous Cell Carcinoma.

PubMed

Yoon, Hyung-In

2016-10-01

This report is to present the treatment procedure and clinical considerations of prosthodontic management of a patient who had undergone a partial mandibulectomy and fibular free flap surgery. A 59-year-old man with a squamous cell carcinoma received a partial mandibular resection. Microsurgical reconstruction with a fibular free flap surgery and implant-supported zirconia-fixed prosthesis produced by computer-aided manufacturing led to successful results for the oral rehabilitation of mandibular defects. The implant-supported zirconia-fixed prosthesis can be recommended for use in patients with mandibulectomy and fibular free flaps. Close cooperation between the surgeon and the prosthodontist is mandatory for the satisfaction of the patient.

Scaling Atomic Partial Charges of Carbonate Solvents for Lithium Ion Solvation and Diffusion

DOE PAGES

Chaudhari, Mangesh I.; Nair, Jijeesh R.; Pratt, Lawrence R.; ...

2016-10-21

Lithium-ion solvation and diffusion properties in ethylene carbonate (EC) and propylene carbonate (PC) were studied by molecular simulation, experiments, and electronic structure calculations. Studies carried out in water provide a reference for interpretation. Classical molecular dynamics simulation results are compared to ab initio molecular dynamics to assess nonpolarizable force field parameters for solvation structure of the carbonate solvents. Quasi-chemical theory (QCT) was adapted to take advantage of fourfold occupancy of the near-neighbor solvation structure observed in simulations and used to calculate solvation free energies. The computed free energy for transfer of Li + to PC from water, based on electronicmore » structure calculations with cluster-QCT, agrees with the experimental value. The simulation-based direct-QCT results with scaled partial charges agree with the electronic structure-based QCT values. The computed Li +/PF 6 - transference numbers of 0.35/0.65 (EC) and 0.31/0.69 (PC) agree well with NMR experimental values of 0.31/0.69 (EC) and 0.34/0.66 (PC) and similar values obtained here with impedance spectroscopy. These combined results demonstrate that solvent partial charges can be scaled in systems dominated by strong electrostatic interactions to achieve trends in ion solvation and transport properties that are comparable to ab initio and experimental results. Thus, the results support the use of scaled partial charges in simple, nonpolarizable force fields in future studies of these electrolyte solutions.« less

Electronegativity Equalization and Partial Charge

ERIC Educational Resources Information Center

Sanderson, R. T.

1974-01-01

This article elaborates the relationship between covalent radius, homonuclear bond energy, and electronegativity, and sets the background for bond energy calculation by discussing the nature of heteronuclear covalent bonding on the basis of electronegativity equalization and particle charge. (DT)

Photoinduced ultrafast charge-order melting: Charge-order inversion and nonthermal effects

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

van Veenendaal, Michel

2016-09-01

The effect of photoexcitation is studied for a system with checkerboard charge order induced by displacements of ligands around a metal site. The motion of the ligands is treated classically and the electronic charges are simplified to two-level molecular bond charges. The calculations are done for a checkerboard charge-ordered system with about 100 000 ligand oscillators coupled to a fixed-temperature bath. The initial photoexcitation is followed by a rapid decrease in the charge-order parameter within 50–100 femtoseconds while leaving the correlation length almost unchanged. Depending on the fluence, a complete melting of the charge order occurs in less than amore » picosecond. While for low fluences, the system returns to its original state, for full melting, it recovers to its broken-symmetry state leading to an inversion of the charge order. For small long-range interactions, recovery can be slow due to domain formation.« less

Photoinduced ultrafast charge-order melting: Charge-order inversion and nonthermal effects

DOE PAGES

van Veenendaal, Michel

2016-09-01

The effect of photoexcitation is studied for a system with checkerboard charge order induced by displacements of ligands around a metal site. The motion of the ligands is treated classically and the electronic charges are simplified to two-level molecular bond charges. The calculations are done for a checkerboard charge-ordered system with about 100 000 ligand oscillators coupled to a fixed-temperature bath. The initial photoexcitation is followed by a rapid decrease in the charge-order parameter within 50–100 femtoseconds while leaving the correlation length almost unchanged. Depending on the fluence, a complete melting of the charge order occurs in less than amore » picosecond. While for low fluences, the system returns to its original state, for full melting, it recovers to its broken-symmetry state leading to an inversion of the charge order. Finally, for small long-range interactions, recovery can be slow due to domain formation.« less

A Power-Efficient Wireless Capacitor Charging System Through an Inductive Link

PubMed Central

Lee, Hyung-Min; Ghovanloo, Maysam

2014-01-01

A power-efficient wireless capacitor charging system for inductively powered applications has been presented. A bank of capacitors can be directly charged from an ac source by generating a current through a series charge injection capacitor and a capacitor charger circuit. The fixed charging current reduces energy loss in switches, while maximizing the charging efficiency. An adaptive capacitor tuner compensates for the resonant capacitance variations during charging to keep the amplitude of the ac input voltage at its peak. We have fabricated the capacitor charging system prototype in a 0.35-μm 4-metal 2-poly standard CMOS process in 2.1 mm2 of chip area. It can charge four pairs of capacitors sequentially. While receiving 2.7-V peak ac input through a 2-MHz inductive link, the capacitor charging system can charge each pair of 1 μF capacitors up to ±2 V in 420 μs, achieving a high measured charging efficiency of 82%. PMID:24678284

A Power-Efficient Wireless Capacitor Charging System Through an Inductive Link.

PubMed

Lee, Hyung-Min; Ghovanloo, Maysam

2013-10-01

A power-efficient wireless capacitor charging system for inductively powered applications has been presented. A bank of capacitors can be directly charged from an ac source by generating a current through a series charge injection capacitor and a capacitor charger circuit. The fixed charging current reduces energy loss in switches, while maximizing the charging efficiency. An adaptive capacitor tuner compensates for the resonant capacitance variations during charging to keep the amplitude of the ac input voltage at its peak. We have fabricated the capacitor charging system prototype in a 0.35- μ m 4-metal 2-poly standard CMOS process in 2.1 mm 2 of chip area. It can charge four pairs of capacitors sequentially. While receiving 2.7-V peak ac input through a 2-MHz inductive link, the capacitor charging system can charge each pair of 1 μ F capacitors up to ±2 V in 420 μ s, achieving a high measured charging efficiency of 82%.

Functions Character

NASA Astrophysics Data System (ADS)

Dugave, Maxime; Göhmann, Frank; Kozlowski, Karol Kajetan

2014-04-01

We establish several properties of the solutions to the linear integral equations describing the infinite volume properties of the XXZ spin-1/2 chain in the disordered regime. In particular, we obtain lower and upper bounds for the dressed energy, dressed charge and density of Bethe roots. Furthermore, we establish that given a fixed external magnetic field (or a fixed magnetization) there exists a unique value of the boundary of the Fermi zone.

On Born's Conjecture about Optimal Distribution of Charges for an Infinite Ionic Crystal

NASA Astrophysics Data System (ADS)

Bétermin, Laurent; Knüpfer, Hans

2018-04-01

We study the problem for the optimal charge distribution on the sites of a fixed Bravais lattice. In particular, we prove Born's conjecture about the optimality of the rock salt alternate distribution of charges on a cubic lattice (and more generally on a d-dimensional orthorhombic lattice). Furthermore, we study this problem on the two-dimensional triangular lattice and we prove the optimality of a two-component honeycomb distribution of charges. The results hold for a class of completely monotone interaction potentials which includes Coulomb-type interactions for d≥3 . In a more general setting, we derive a connection between the optimal charge problem and a minimization problem for the translated lattice theta function.

Nonparametric estimation and testing of fixed effects panel data models

PubMed Central

Henderson, Daniel J.; Carroll, Raymond J.; Li, Qi

2009-01-01

In this paper we consider the problem of estimating nonparametric panel data models with fixed effects. We introduce an iterative nonparametric kernel estimator. We also extend the estimation method to the case of a semiparametric partially linear fixed effects model. To determine whether a parametric, semiparametric or nonparametric model is appropriate, we propose test statistics to test between the three alternatives in practice. We further propose a test statistic for testing the null hypothesis of random effects against fixed effects in a nonparametric panel data regression model. Simulations are used to examine the finite sample performance of the proposed estimators and the test statistics. PMID:19444335

Targeted traction of impacted teeth with C-tube miniplates.

PubMed

Chung, Kyu-Rhim; Kim, Yong; Ahn, Hyo-Won; Lee, Dongjoo; Yang, Dong-Min; Kim, Seong-Hun; Nelson, Gerald

2014-09-01

Orthodontic traction of impacted teeth has typically been performed using full fixed appliance as anchorage against the traction force. This conventional approach can be difficult to apply in the mixed dentition if the partial fixed appliance offers an insufficient anchor unit. In addition, full fixed appliance can induce unwanted movement of adjacent teeth. This clinical report presents 3 cases where impacted teeth were recovered in the mixed or transitional dentition with skeletal anchorage on the opposite arch without full fixed appliance. Instead, intermaxillary traction was used to bring the impacted teeth into position. With this approach, side effects on teeth and periodontal tissues adjacent to the impaction were minimized.

Fragmentation cross sections of O-16 between 0.9 and 200 GeV/nucleon

NASA Technical Reports Server (NTRS)

Hirzebruch, S. E.; Heinrich, W.; Tolstov, K. D.; Kovalenko, A. D.; Benton, E. V.

1995-01-01

Inclusive cross sections for high energy interactions at 0.9, 2.3, 3.6, and 13.5 GeV/nucleon of O-16 with C, CR-39 (C12H18O7), CH2, Al, Cu, Ag, and Pb targets were measured. The total charge-changing cross sections and partial charge-changing cross sections for the production of fragments with charge Z = 6 and Z = 7 are compared to previous experiments at 60 and 200 GeV/nucleon. The contributions of Coulomb dissociation to the total cross sections are calculated. Using factorization rules the partial electromagnetic cross sections are separated from the nuclear components. Energy dependence of both components are investigated and discussed.

Immediate estimation of correlation energy for molecular systems from the partial charges on atoms in the molecule

NASA Astrophysics Data System (ADS)

Kristyán, Sándor

1997-11-01

In the author's previous work (Chem. Phys. Lett. 247 (1995) 101 and Chem. Phys. Lett. 256 (1996) 229) a simple quasi-linear relationship was introduced between the number of electrons, N, participating in any molecular system and the correlation energy: -0.035 ( N - 1) > Ecorr[hartree] > - 0.045( N -1). This relationship was developed to estimate more accurately correlation energy immediately in ab initio calculations by using the partial charges of atoms in the molecule, easily obtained after Hartree-Fock self-consistent field (HF-SCF) calculations. The method is compared to the well-known B3LYP, MP2, CCSD and G2M methods. Correlation energy estimations for negatively (-1) charged atomic ions are also reported.

Identification of dynamic load for prosthetic structures.

PubMed

Zhang, Dequan; Han, Xu; Zhang, Zhongpu; Liu, Jie; Jiang, Chao; Yoda, Nobuhiro; Meng, Xianghua; Li, Qing

2017-12-01

Dynamic load exists in numerous biomechanical systems, and its identification signifies a critical issue for characterizing dynamic behaviors and studying biomechanical consequence of the systems. This study aims to identify dynamic load in the dental prosthetic structures, namely, 3-unit implant-supported fixed partial denture (I-FPD) and teeth-supported fixed partial denture. The 3-dimensional finite element models were constructed through specific patient's computerized tomography images. A forward algorithm and regularization technique were developed for identifying dynamic load. To verify the effectiveness of the identification method proposed, the I-FPD and teeth-supported fixed partial denture structures were investigated to determine the dynamic loads. For validating the results of inverse identification, an experimental force-measuring system was developed by using a 3-dimensional piezoelectric transducer to measure the dynamic load in the I-FPD structure in vivo. The computationally identified loads were presented with different noise levels to determine their influence on the identification accuracy. The errors between the measured load and identified counterpart were calculated for evaluating the practical applicability of the proposed procedure in biomechanical engineering. This study is expected to serve as a demonstrative role in identifying dynamic loading in biomedical systems, where a direct in vivo measurement may be rather demanding in some areas of interest clinically. Copyright © 2017 John Wiley & Sons, Ltd.

Three-Year Outcome of Fixed Partial Rehabilitations Supported by Implants Inserted with Flap or Flapless Surgical Techniques.

PubMed

Maló, Paulo; de Araújo Nobre, Miguel; Lopes, Armando

2016-07-01

The aim of this prospective clinical study was to evaluate the 3-year outcome of fixed partial prostheses supported by implants with immediate provisionalization without occlusal contacts inserted in predominantly soft bone with flap and flapless protocols. Forty-one patients partially rehabilitated with 72 NobelSpeedy implants (51 maxillary; 21 mandibular) were consecutively included and treated with a flapless surgical protocol (n = 20 patients; 32 implants) and flapped surgical protocol (n = 21 patients; 40 implants). Primary outcome measure was implant survival; secondary outcome measures were marginal bone resorption (comparing the bone levels at 1 and 3 years with baseline) and the incidence of biological, mechanical, and esthetic complications. Survival was computed through life tables; descriptive statistics were applied to the remaining variables of interest. Eight patients with eight implants dropped out of the study. One implant failed in one patient (flapless group) giving an overall cumulative survival rate (CSR) of 98.6%. No failures were noted with the flapped protocol (CSR 100%), while for the implants placed with the flapless surgical technique, a 96.9% CSR was registered. The overall average marginal bone resorption at 3 years was 1.37 mm (SD = 0.94 mm), with 1.14 mm (SD = 0.49 mm) and 1.60 mm (SD = 1.22 mm) for the flap and flapless groups, respectively. Mechanical complications occurred in nine patients (n = 5 patients in the flapless group; n = 4 patients in the flap group). Implant infection was registered in three implants and three patients (flapless group), who exhibited inadequate oral hygiene levels. Partial edentulism rehabilitation through immediate provisionalization fixed prosthesis supported by dental implants inserted through flap or flapless surgical techniques in areas of predominantly soft bone was viable at 3 years of follow-up. The limitations and risks of the "free-hand" method in flapless surgery should be considered when planning implant-supported fixed prosthetic reconstructions. © 2015 by the American College of Prosthodontists.

The financial impact of robotic technology for partial and radical nephrectomy.

PubMed

Kates, Max; Ball, Mark W; Patel, Hiten D; Gorin, Michael A; Pierorazio, Phillip M; Allaf, Mohamad E

2015-03-01

We sought to evaluate the financial impact of robotic technology for partial nephrectomy (PN) and radical nephrectomy (RN) in the state of Maryland. The Maryland Health Services Cost Review Commission (HSCRC) documents all acute care hospital charges data. This database was queried for patients who underwent laparoscopic or robot-assisted RN and PN from 2008 to 2012. Total hospital charge, subcharge, and length of stay (LOS) were analyzed separately for RN and PN. Overall, 2834 patients were identified. Of those, 282 were laparoscopic PN (LPN), 1078 robot-assisted PN (RPN), 1098 laparoscopic RN (LRN), and 376 robot-assisted RN (RRN). For PN, the total hospital charge was $19,062 for LPN and $18,255 for RPN (P=0.138), with a charge savings of $807 per case in favor of robotics. For RN, the total hospital charge was $23,391 for RRN and $18,280 for LRN (P=0.004), with a charge premium of $5111 for robotic cases. LOS was shorter for RPN compared with LPN (2.51 vs 2.99 days, P<0.0001) and for RRN compared with LRN (3.52 vs 3.98, P=0.0498). RPN is associated with lower hospital charges than LPN, while RRN is associated with higher hospital charges than LRN. Savings for RPN are driven by decreased room and board charge, while the premium for RRN is driven by higher operating room and supply charges. Because RRN use is increasing, the financial implications of RRN use for routine cases warrants further study.

Atomic partial charges on CH{sub 3}NH{sub 3}PbI{sub 3} from first-principles electronic structure calculations

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

Madjet, Mohamed E., E-mail: mmadjet@qf.org.qa; El-Mellouhi, Fedwa; Carignano, Marcelo A.

We calculated the partial charges in methylammonium (MA) lead-iodide perovskite CH{sub 3}NH{sub 3}PbI{sub 3} in its different crystalline phases using different first-principles electronic charge partitioning approaches, including the Bader, ChelpG, and density-derived electrostatic and chemical (DDEC) schemes. Among the three charge partitioning methods, the DDEC approach provides chemically intuitive and reliable atomic charges for this material, which consists of a mixture of transition metals, halide ions, and organic molecules. The DDEC charges are also found to be robust against the use of hybrid functionals and/or upon inclusion of spin–orbit coupling or dispersive interactions. We calculated explicitly the atomic charges withmore » a special focus on the dipole moment of the MA molecules within the perovskite structure. The value of the dipole moment of the MA is reduced with respect to the isolated molecule due to charge redistribution involving the inorganic cage. DDEC charges and dipole moment of the organic part remain nearly unchanged upon its rotation within the octahedral cavities. Our findings will be of both fundamental and practical importance, as the accurate and consistent determination of the atomic charges is important in order to understand the average equilibrium distribution of the electrons and to help in the development of force fields for larger scale atomistic simulations to describe static, dynamic, and thermodynamic properties of the material.« less

In vitro evaluation of the flexural properties of All-on-Four provisional fixed denture base resin partially reinforced with fibers.

PubMed

Li, Bei Bei; Xu, Jia Bin; Cui, Hong Yan; Lin, Ye; Di, Ping

2016-01-01

The aim of this study was to assess the effects of partial carbon or glass fiber reinforcement on the flexural properties of All-on-Four provisional fixed denture base resin. The carbon or glass fibers were woven (3% by weight) together in three strands and twisted and tightened between the two abutments in a figure-of-"8" pattern. Four types of specimens were fabricated for the three-point loading test. The interface between the denture base resin and fibers was examined using scanning electron microscopy (SEM). Reinforcement with carbon or glass fibers between two abutments significantly increased the flexural strength and flexural modulus. SEM revealed relatively continuous contact between the fibers and acrylic resin. The addition of carbon or glass fibers between two abutments placed on All-on-Four provisional fixed denture base resin may be clinically effective in preventing All-on-Four denture fracture and can provide several advantages for clinical use.

Kinetic Modeling of the Reaction Rate for Quartz and Carbon Black Pellet

NASA Astrophysics Data System (ADS)

Li, Fei; Tangstad, Merete

2018-06-01

The kinetic modeling for the carbothermal reduction reaction rate in quartz and carbon black pellets is studied at different temperatures, under varying CO partial pressures in ambient atmosphere, varying carbon contents, different quartz particle sizes, and different crucible opening areas. Carbon black is produced by the cracking of natural gas. The activation energy of the SiC-producing step was determined to be 594 kJ/mol. The averaged pre-exponential factor A obtained from 1898 K, 1923 K, and 1948 K (1625 °C, 1650 °C, and 1675 °C) is 2.62E+16 min-1. The reaction rate of the gas-solid interface factor, fix-C content ( X fix-C), temperature ( T), and CO partial pressure ( X CO) can be expressed as follows: {{d/pct}}{{{d}t}} = (1 - 0.40 × X_{{{fix} - C}}^{ - 0.86} × {pct}) × 2.62 × 10^{16} × \\exp ( { - 594000/RT} ) × (2.6 - 0.015 × X_{co} ).

Ferroelectrics: A pathway to switchable surface chemistry and catalysis

NASA Astrophysics Data System (ADS)

Kakekhani, Arvin; Ismail-Beigi, Sohrab; Altman, Eric I.

2016-08-01

It has been known for more than six decades that ferroelectricity can affect a material's surface physics and chemistry thereby potentially enhancing its catalytic properties. Ferroelectrics are a class of materials with a switchable electrical polarization that can affect surface stoichiometry and electronic structure and thus adsorption energies and modes; e.g., molecular versus dissociative. Therefore, ferroelectrics may be utilized to achieve switchable surface chemistry whereby surface properties are not fixed but can be dynamically controlled by, for example, applying an external electric field or modulating the temperature. Several important examples of applications of ferroelectric and polar materials in photocatalysis and heterogeneous catalysis are discussed. In photocatalysis, the polarization direction can control band bending at water/ferroelectric and ferroelectric/semiconductor interfaces, thereby facilitating charge separation and transfer to the electrolyte and enhancing photocatalytic activity. For gas-surface interactions, available results suggest that using ferroelectrics to support catalytically active transition metals and oxides is another way to enhance catalytic activity. Finally, the possibility of incorporating ferroelectric switching into the catalytic cycle itself is described. In this scenario, a dynamic collaboration of two polarization states can be used to drive reactions that have been historically challenging to achieve on surfaces with fixed chemical properties (e.g., direct NOx decomposition and the selective partial oxidation of methane). These predictions show that dynamic modulation of the polarization can help overcome some of the fundamental limitations on catalytic activity imposed by the Sabatier principle.

Capacitance-voltage analysis of electrical properties for WSe2 field effect transistors with high-k encapsulation layer

NASA Astrophysics Data System (ADS)

Ko, Seung-Pil; Shin, Jong Mok; Jang, Ho Kyun; You, Min Youl; Jin, Jun-Eon; Choi, Miri; Cho, Jiung; Kim, Gyu-Tae

2018-02-01

Doping effects in devices based on two-dimensional (2D) materials have been widely studied. However, detailed analysis and the mechanism of the doping effect caused by encapsulation layers has not been sufficiently explored. In this work, we present experimental studies on the n-doping effect in WSe2 field effect transistors (FETs) with a high-k encapsulation layer (Al2O3) grown by atomic layer deposition. In addition, we demonstrate the mechanism and origin of the doping effect. After encapsulation of the Al2O3 layer, the threshold voltage of the WSe2 FET negatively shifted with the increase of the on-current. The capacitance-voltage measurements of the metal insulator semiconductor (MIS) structure proved the presence of the positive fixed charges within the Al2O3 layer. The flat-band voltage of the MIS structure of Au/Al2O3/SiO2/Si was shifted toward the negative direction on account of the positive fixed charges in the Al2O3 layer. Our results clearly revealed that the fixed charges in the Al2O3 encapsulation layer modulated the Fermi energy level via the field effect. Moreover, these results possibly provide fundamental ideas and guidelines to design 2D materials FETs with high-performance and reliability.

Electrical charging effects on the sliding friction of a model nano-confined ionic liquid

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

Capozza, R.; Vanossi, A.; CNR-IOM Democritos National Simulation Center, Via Bonomea 265, 34136 Trieste

2015-10-14

Recent measurements suggest the possibility to exploit ionic liquids (ILs) as smart lubricants for nano-contacts, tuning their tribological and rheological properties by charging the sliding interfaces. Following our earlier theoretical study of charging effects on nanoscale confinement and squeezout of a model IL, we present here molecular dynamics simulations of the frictional and lubrication properties of that model under charging conditions. First, we describe the case when two equally charged plates slide while being held together to a confinement distance of a few molecular layers. The shear sliding stress is found to rise strongly and discontinuously as the number ofmore » IL layers decreases stepwise. However, the shear stress shows, within each given number of layers, only a weak dependence upon the precise value of the normal load, a result in agreement with data extracted from recent experiments. We subsequently describe the case of opposite charging of the sliding plates and follow the shear stress when the charging is slowly and adiabatically reversed in the course of time, under fixed load. Despite the fixed load, the number and structure of the confined IL layers change with changing charge, and that in turn drives strong friction variations. The latter involves first of all charging-induced freezing of the IL film, followed by a discharging-induced melting, both made possible by the nanoscale confinement. Another mechanism for charging-induced frictional changes is a shift of the plane of maximum shear from mid-film to the plate-film interface, and vice versa. While these occurrences and results invariably depend upon the parameters of the model IL and upon its specific interaction with the plates, the present study helps identifying a variety of possible behavior, obtained under very simple assumptions, while connecting it to an underlying equilibrium thermodynamics picture.« less

Ion distributions, exclusion coefficients, and separation factors of electrolytes in a charged cylindrical nanopore: a partially perturbative density functional theory study.

PubMed

Peng, Bo; Yu, Yang-Xin

2009-10-07

The structural and thermodynamic properties for charge symmetric and asymmetric electrolytes as well as mixed electrolyte system inside a charged cylindrical nanopore are investigated using a partially perturbative density functional theory. The electrolytes are treated in the restricted primitive model and the internal surface of the cylindrical nanopore is considered to have a uniform charge density. The proposed theory is directly applicable to the arbitrary mixed electrolyte solution containing ions with the equal diameter and different valences. Large amount of simulation data for ion density distributions, separation factors, and exclusion coefficients are used to determine the range of validity of the partially perturbative density functional theory for monovalent and multivalent counterion systems. The proposed theory is found to be in good agreement with the simulations for both mono- and multivalent counterion systems. In contrast, the classical Poisson-Boltzmann equation only provides reasonable descriptions of monovalent counterion system at low bulk density, and is qualitatively and quantitatively wrong in the prediction for the multivalent counterion systems due to its neglect of the strong interionic correlations in these systems. The proposed density functional theory has also been applied to an electrolyte absorbed into a pore that is a model of the filter of a physiological calcium channel.

Explicit construction of BRST charge of noncommutative D-brane system

NASA Astrophysics Data System (ADS)

Hong, Soon-Tae

2006-01-01

In the BRST BFV scheme for noncommutative D-branes with constant NS B-field, introducing ghost degrees of freedom we construct the gauge-fixed Hamiltonian and corresponding effective Lagrangian invariant under nilpotent BRST charge. It is also shown that the presence of auxiliary variables introduced via the improved Dirac formalism plays a crucial role in the construction of the BRST invariant Lagrangian.

Singularity-free solutions for anisotropic charged fluids with Chaplygin equation of state

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

Rahaman, Farook; Ray, Saibal; Jafry, Abdul Kayum

2010-11-15

We extend the Krori-Barua analysis of the static, spherically symmetric, Einstein-Maxwell field equations and consider charged fluid sources with anisotropic stresses. The inclusion of a new variable (tangential pressure) allows the use of a nonlinear, Chaplygin-type equation of state with coefficients fixed by the matching conditions at the boundary of the source. Some physical features are briefly discussed.

Interacting charges and the classical electron radius

NASA Astrophysics Data System (ADS)

De Luca, Roberto; Di Mauro, Marco; Faella, Orazio; Naddeo, Adele

2018-03-01

The equation of the motion of a point charge q repelled by a fixed point-like charge Q is derived and studied. In solving this problem useful concepts in classical and relativistic kinematics, in Newtonian mechanics and in non-linear ordinary differential equations are revised. The validity of the approximations is discussed from the physical point of view. In particular the classical electron radius emerges naturally from the requirement that the initial distance is large enough for the non-relativistic approximation to be valid. The relevance of this topic for undergraduate physics teaching is pointed out.

49 CFR 375.707 - If a shipment is partially lost or destroyed, what charges may I collect at delivery?

Code of Federal Regulations, 2010 CFR

2010-10-01

... MOTOR CARRIER SAFETY REGULATIONS TRANSPORTATION OF HOUSEHOLD GOODS IN INTERSTATE COMMERCE; CONSUMER PROTECTION REGULATIONS Delivery of Shipments § 375.707 If a shipment is partially lost or destroyed, what...

Effect of Premixed Fuel Preparation for Partially Premixed Combustion with a Low Octane Gasoline on a Light-Duty Multi-Cylinder Compression Ignition Engine

DOE PAGES

Dempsey, Adam B.; Curran, Scott; Wagner, Robert M.; ...

2015-05-12

Gasoline compression ignition concepts with the majority of the fuel being introduced early in the cycle are known as partially premixed combustion (PPC). Previous research on single- and multi-cylinder engines has shown that PPC has the potential for high thermal efficiency with low NOx and soot emissions. A variety of fuel injection strategies has been proposed in the literature. These injection strategies aim to create a partially stratified charge to simultaneously reduce NOx and soot emissions while maintaining some level of control over the combustion process through the fuel delivery system. The impact of the direct injection strategy to createmore » a premixed charge of fuel and air has not previously been explored, and its impact on engine efficiency and emissions is not well understood. This paper explores the effect of sweeping the direct injected pilot timing from -91° to -324° ATDC, which is just after the exhaust valve closes for the engine used in this study. During the sweep, the pilot injection consistently contained 65% of the total fuel (based on command duration ratio), and the main injection timing was adjusted slightly to maintain combustion phasing near top dead center. A modern four cylinder, 1.9 L diesel engine with a variable geometry turbocharger, high pressure common rail injection system, wide included angle injectors, and variable swirl actuation was used in this study. The pistons were modified to an open bowl configuration suitable for highly premixed combustion modes. The stock diesel injection system was unmodified, and the gasoline fuel was doped with a lubricity additive to protect the high pressure fuel pump and the injectors. The study was conducted at a fixed speed/load condition of 2000 rpm and 4.0 bar brake mean effective pressure (BMEP). The pilot injection timing sweep was conducted at different intake manifold pressures, swirl levels, and fuel injection GTP-15-1067, Dempsey 2 pressures. The gasoline used in this study has relatively high fuel reactivity with a research octane number of 68. The results of this experimental campaign indicate that the highest brake thermal efficiency and lowest emissions are achieved simultaneously with the earliest pilot injection timings (i.e., during the intake stroke).« less

Investigating the electronic properties of Al2O3/Cu(In,Ga)Se2 interface

NASA Astrophysics Data System (ADS)

Kotipalli, R.; Vermang, B.; Joel, J.; Rajkumar, R.; Edoff, M.; Flandre, D.

2015-10-01

Atomic layer deposited (ALD) Al2O3 films on Cu(In,Ga)Se2 (CIGS) surfaces have been demonstrated to exhibit excellent surface passivation properties, which is advantageous in reducing recombination losses at the rear metal contact of CIGS thin-film solar cells. Here, we report, for the first time, experimentally extracted electronic parameters, i.e. fixed charge density (Qf) and interface-trap charge density (Dit), for as-deposited (AD) and post-deposition annealed (PDA) ALD Al2O3 films on CIGS surfaces using capacitance-voltage (C-V) and conductance-frequency (G-f) measurements. These results indicate that the AD films exhibit positive fixed charges Qf (approximately 1012 cm-2), whereas the PDA films exhibit a very high density of negative fixed charges Qf (approximately 1013 cm-2). The extracted Dit values, which reflect the extent of chemical passivation, were found to be in a similar range of order (approximately 1012 cm-2 eV-1) for both AD and PDA samples. The high density of negative Qf in the bulk of the PDA Al2O3 film exerts a strong Coulomb repulsive force on the underlying CIGS minority carriers (ns), preventing them to recombine at the CIGS/Al2O3 interface. Using experimentally extracted Qf and Dit values, SCAPS simulation results showed that the surface concentration of minority carriers (ns) in the PDA films was approximately eight-orders of magnitude lower than in the AD films. The electrical characterization and estimations presented in this letter construct a comprehensive picture of the interfacial physics involved at the Al2O3/CIGS interface.

Photoelectric charging of partially sunlit dielectric surfaces in space

NASA Technical Reports Server (NTRS)

De, B. R.; Criswell, D. R.

1977-01-01

Sunlight-shadow effects may substantially alter the charging situation for a dielectric surface. The sunlight-shadow boundary tends to be the site of intense multipole electric fields. Charges on a sunlit dielectric surface have a finite effective mobility. The charge distribution tends to resemble that on a conducting surface. A boundary between a conducting and a dielectric surface may not represent a conductivity discontinuity when this boundary is sunlit; charges may migrate at a nontrivial rate across the boundary. A contracting or expanding sunlit area may experience a supercharging.

Characterization of a bacterium of the genus Azospirillum from cellulolytic nitrogen-fixing mixed cultures.

PubMed

Wong, P P; Stenberg, N E; Edgar, L

1980-03-01

A bacterium with the taxonomic characteristics of the genus Azospirillum was isolated from celluloytic N2-fixing mixed cultures. Its characteristics fit the descriptions of both Azopirillum lipoferum (Beijerinck) comb. nov. and Azospirillum brasilense sp. nov. It may be a variant strain of A. lipoferum. In mixed cultures with cellulolytic organisms, the bacterium grew and fixed N2 with cellelose as a sole source of energy and carbon. The mixed cultures used cellulose from leaves of wheat (Triticum aestivum L.), corn (Zea mays L.), and big bluestem grass (Andropogon gerardii Vitm). Microaerophilic N2-fixing bacteria of the genus Azospirillum, such as the bacterium we isolated, may be important contributors of fixed N2 in soil with partial anaerobiosis and cellulose decomposition.

Implicit Contractive Mappings in Modular Metric and Fuzzy Metric Spaces

PubMed Central

Hussain, N.; Salimi, P.

2014-01-01

The notion of modular metric spaces being a natural generalization of classical modulars over linear spaces like Lebesgue, Orlicz, Musielak-Orlicz, Lorentz, Orlicz-Lorentz, and Calderon-Lozanovskii spaces was recently introduced. In this paper we investigate the existence of fixed points of generalized α-admissible modular contractive mappings in modular metric spaces. As applications, we derive some new fixed point theorems in partially ordered modular metric spaces, Suzuki type fixed point theorems in modular metric spaces and new fixed point theorems for integral contractions. In last section, we develop an important relation between fuzzy metric and modular metric and deduce certain new fixed point results in triangular fuzzy metric spaces. Moreover, some examples are provided here to illustrate the usability of the obtained results. PMID:25003157

Triboelectric energy harvesting with surface-charge-fixed polymer based on ionic liquid

PubMed Central

Sano, Chikako; Mitsuya, Hiroyuki; Ono, Shimpei; Miwa, Kazumoto; Toshiyoshi, Hiroshi; Fujita, Hiroyuki

2018-01-01

Abstract A novel triboelectric energy harvester has been developed using an ionic liquid polymer with cations fixed at the surface. In this report, the fabrication of the device and the characterization of its energy harvesting performance are detailed. An electrical double layer was induced in the ionic liquid polymer precursor to attract the cations to the surface where they are immobilized using a UV-based crosslinking reaction. The finalized polymer is capable of generating an electrical current when contacted by a metal electrode. Using this property, energy harvesting experiments were conducted by cyclically contacting a gold-surface electrode with the charge fixed surface of the polymer. Control experiments verified the effect of immobilizing the cations at the surface. By synthesizing a polymer with the optimal composition ratio of ionic liquid to macromonomer, an output of 77 nW/cm2 was obtained with a load resistance of 1 MΩ at 1 Hz. This tuneable power supply with a μA level current output may contribute to Internet of Things networks requiring numerous sensor nodes at remote places in the environment. PMID:29707070

Thermodynamics and Mechanism of the Interaction of Willardiine Partial Agonists with a Glutamate Receptor: Implications for Drug Development

PubMed Central

2015-01-01

Understanding the thermodynamics of binding of a lead compound to a receptor can provide valuable information for drug design. The binding of compounds, particularly partial agonists, to subtypes of the α-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptor is, in some cases, driven by increases in entropy. Using a series of partial agonists based on the structure of the natural product, willardiine, we show that the charged state of the ligand determines the enthalpic contribution to binding. Willardiines have uracil rings with pKa values ranging from 5.5 to 10. The binding of the charged form is largely driven by enthalpy, while that of the uncharged form is largely driven by entropy. This is due at least in part to changes in the hydrogen bonding network within the binding site involving one water molecule. This work illustrates the importance of charge to the thermodynamics of binding of agonists and antagonists to AMPA receptors and provides clues for further drug discovery. PMID:24850223

Effect of hydration on interstitial distribution of charged albumin in rat dermis in vitro

PubMed Central

Wiig, Helge; Tenstad, Olav; Bert, Joel L

2005-01-01

At physiological pH, negatively charged glycosaminoglycans in the extracellular matrix may influence distribution volume of macromolecular probes, a phenomenon of importance for hydration of the interstitium and therefore for body fluid balance. We hypothesized that such charge effect was dependent on hydration. Human serum albumin (HSA) (the pH value for the isoelectric point (pI) = 4.9) was made neutral by cationization (cHSA) (pI = 7.6). Rat dermis was studied in vitro in a specially designed equilibration cell allowing control of hydration. Using a buffer containing labelled native HSA and cHSA, the distribution volumes were calculated relative to that of 51Cr-EDTA, an extracellular tracer. During changes in hydration (H), defined as (wet weight – dry weight) (dry weight)−1), the slope of the equation describing the relationship between extracellular fluid volume (Vx) (in g H2O (g dry weight)−1) and H (Vx = 0.925 H + 0.105) differed significantly from that for available volumes of cHSA (Va,cHSA = 0.624 H – 0.538) and HSA (Va,HSA = 0.518 H – 0.518). A gradual reduction in H led to a reduction in difference between available volumes for the two albumin species. Screening the fixed charges by 1 m NaCl resulted in similar available and excluded volumes of native HSA and neutral cHSA. We conclude that during gradual dehydration, there is a reduced effect of fixed negative charges on interstitial exclusion of charged macromolecules. This effect may be explained by a reduced hydration domain surrounding tissue and probe macromolecules in conditions of increased electrostatic interactions. Furthermore, screening of negative charges suggested that hyaluronan associated with collagen may influence intrafibrillar volume of collagen and thereby available and excluded volume fraction. PMID:16210353

The use of implants as retainers for removable partial dentures.

PubMed

Zinner, Ira D; Markovits, Stanley; Jansen, Curtis E; Reid, Patrick E; Shapiro, Herbert J

2010-01-01

There has been little presented in the literature regarding the use of implant bodies as retainers for removable partial dentures. However, these fixtures can be a useful asset for restorative dentists, as they can be used when there is insufficient bone for a fixed prosthesis or as retainers for a provisional appliance until additional dental treatment is possible.

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

Jun Shen; Zhi-zhong Wang; Huai-wang Yang

About 15 billion Nm{sup 3} coke oven gas (COG) is emitted into the air in Shanxi Province in China as air pollutants. It is also a waste of precious chemical resources. In this study, COG was purified respectively by four methods including refrigeration, fiberglass, silica gel, and molecular sieve. Purified COG was separated by a prism membrane into two gas products. One consists mainly of H{sub 2} ({gt}90 vol %) and the other is rich in CH{sub 4} ({gt}60 vol %) with their exact compositions to vary with the membrane separation pressure and outlet gas flow ratio. The gas richmore » in CH{sub 4} was partially oxidized with oxygen in a high-temperature fixed-bed quartz reactor charged with coke particles of 10 mm size. At 1200-1300{sup o}C, a CH{sub 4} conversion of {gt}99% could be obtained. The H{sub 2}/CO ratio in the synthesis product gas can be adjusted in the range 0.3-1.4, very favorable for further C1 synthesis. 10 refs., 17 figs., 1t ab.« less

Effects of correlated hybridization in the single-impurity Anderson model

NASA Astrophysics Data System (ADS)

Líbero, Valter; Veiga, Rodrigo

2013-03-01

The development of new materials often dependents on the theoretical foundations which study the microscopic matter, i.e., the way atoms interact and create distinct configurations. Among the interesting materials, those with partially filled d or f orbitals immersed in nonmagnetic metals have been described by the Anderson model, which takes into account Coulomb correlation (U) when a local level (energy Ed) is doubled occupied, and an electronic hybridization between local levels and conduction band states. In addition, here we include a correlated hybridization term, which depends on the local-level occupation number involved. This term breaks particle-hole symmetry (even when U + 2Ed = 0), enhances charge fluctuations on local levels and as a consequence strongly modifies the crossover between the Hamiltonian fixed-points, even suppressing one or other. We exemplify these behaviors showing data obtained from the Numerical Renormalization Group (NRG) computation for the impurity temperature-dependent specific heat, entropy and magnetic susceptibility. The interleaving procedure is used to recover the continuum spectrum after the NRG-logarithmic discretization of the conduction band. Fundação de Amparo à Pesquisa do Estado de São Paulo - FAPESP.

Modeling of static electrical properties in organic field-effect transistors

NASA Astrophysics Data System (ADS)

Xu, Yong; Minari, Takeo; Tsukagoshi, Kazuhito; Gwoziecki, Romain; Coppard, Romain; Benwadih, Mohamed; Chroboczek, Jan; Balestra, Francis; Ghibaudo, Gerard

2011-07-01

A modeling of organic field-effect transistors' (OFETs') electrical characteristics is presented. This model is based on a one-dimensional (1-D) Poisson's equation solution that solves the potential profile in the organic semiconducting film. Most importantly, it demonstrates that, due to the common open-surface configuration used in organic transistors, the conduction occurs in the film volume below threshold. This is because the potential at the free surface is not fixed to zero but rather rises also with the gate bias. The tail of carrier concentration at the free surface is therefore significantly modulated by the gate bias, which partially explains the gate-voltage dependent contact resistance. At the same time in the so-called subthreshold region, we observe a clear charge trapping from the difference between C-V and I-V measurements; hence a traps study by numerical simulation is also performed. By combining the analytical modeling and the traps analysis, the questions on the C-V and I-V characteristics are answered. Finally, the combined results obtained with traps fit well the experimental data in both pentacene and bis(triisopropylsilylethynyl)-pentacene OFETs.

Closed-loop pulsed helium ionization detector

DOEpatents

Ramsey, Roswitha S.; Todd, Richard A.

1987-01-01

A helium ionization detector for gas chromatography is operated in a constant current, pulse-modulated mode by configuring the detector, electrometer and a high voltage pulser in a closed-loop control system. The detector current is maintained at a fixed level by varying the frequency of fixed-width, high-voltage bias pulses applied to the detector. An output signal proportional to the pulse frequency is produced which is indicative of the charge collected for a detected species.

Gingival Retraction Methods for Fabrication of Fixed Partial Denture: Literature Review

PubMed Central

S, Safari; Ma, Vossoghi Sheshkalani; Mi, Vossoghi Sheshkalani; F, Hoseini Ghavam; M, Hamedi

2016-01-01

Fixed dental prosthesis success requires appropriate impression taking of the prepared finish line. This is critical in either tooth supported fixed prosthesis (crown and bridge) or implant supported fixed prosthesis (solid abutment). If the prepared finish line is adjacent to the gingival sulcus, gingival retraction techniques should be used to decrease the marginal discrepancy among the restoration and the prepared abutment. Accurate marginal positioning of the restoration in the prepared finish line of the abutment is required for therapeutic, preventive and aesthetic purposes. In this article, conventional and modern methods of gingival retraction in the fixed tooth supported prosthesis and fixed implant supported prosthesis are expressed. PubMed and Google Scholar databases were searched manually for studies on gingival tissue managements prior to impression making in fixed dental prosthesis since 1975. Conclusions were extracted and summarized. Keywords were impression making, gingival retraction, cordless retraction, and implant. Gingival retraction techniques can be classified as mechanical, chemical or surgical. In this article, different gingival management techniques are discussed. PMID:28959744

Gingival Retraction Methods for Fabrication of Fixed Partial Denture: Literature Review.

PubMed

S, Safari; Ma, Vossoghi Sheshkalani; Mi, Vossoghi Sheshkalani; F, Hoseini Ghavam; M, Hamedi

2016-06-01

Fixed dental prosthesis success requires appropriate impression taking of the prepared finish line. This is critical in either tooth supported fixed prosthesis (crown and bridge) or implant supported fixed prosthesis (solid abutment). If the prepared finish line is adjacent to the gingival sulcus, gingival retraction techniques should be used to decrease the marginal discrepancy among the restoration and the prepared abutment. Accurate marginal positioning of the restoration in the prepared finish line of the abutment is required for therapeutic, preventive and aesthetic purposes. In this article, conventional and modern methods of gingival retraction in the fixed tooth supported prosthesis and fixed implant supported prosthesis are expressed. PubMed and Google Scholar databases were searched manually for studies on gingival tissue managements prior to impression making in fixed dental prosthesis since 1975. Conclusions were extracted and summarized. Keywords were impression making, gingival retraction, cordless retraction, and implant. Gingival retraction techniques can be classified as mechanical, chemical or surgical. In this article, different gingival management techniques are discussed.

Traps and Interface Fixed Charge Effects on a Solution-Processed n-Type Polymeric-Based Organic Field-Effect Transistor

NASA Astrophysics Data System (ADS)

Hafsi, B.; Boubaker, A.; Guerin, D.; Lenfant, S.; Kalboussi, A.; Lmimouni, K.

2017-02-01

Organic field-effect transistors based on poly{[ N, N0- bis(2-octyldodecyl)- naphthalene-1,4,5,8- bis(dicarboximide)-2,6-diyl]-alt-5,50-(2,20-bithiophene)}, [P(NDI2OD-T2)n], were fabricated and characterized. The effect of octadecyltrichlorosilane (OTS) a self-assembled monolayer (SAM) grafted on to a SiO2 gate dielectric was investigated. A significant improvement of the charge mobility ( μ), up to 0.22 cm2/V s, was reached thanks to the OTS treatment. Modifying some technological parameters relating to fabrication, such as solvents, was also studied. We have analyzed the electrical properties of these thin-film transistors by using a two-dimensional drift-diffusion simulator, Integrated System Engineering-Technology Computer Aided Design (ISE-TCAD®). We studied the fixed surface charges at the organic semiconductor/oxide interface and the bulk traps effect. The dependence of the threshold voltage on the density and energy level of the trap states has also been considered. We finally found a good agreement between the output and transfer characteristics for experimental and simulated data.

Retrospective chart analysis on survival rate of fixtures installed at the tuberosity bone for cases with missing unilateral upper molars: a study of 7 cases.

PubMed

Park, Young-Jin; Cho, Sung-Am

2010-06-01

To evaluate the survival rate of implants placed in the maxillary tuberosity region using the fixed prosthesis in partially edentulous cases. Of implant-treated patients who visited Kyung Pook National University Hospital, 7 partially edentulous patients (2 male and 5 female; mean age, 52.3 years; range, approximately 43 to 65) were selected according to the following criteria: 1) less than 3-mm thickness alveolar bone reaming at the first molar area and 2) 1 to 2 fixture premolars, with the additional implant at the maxillary tuberosity region. For the control group, patients who had nontuberosity areas were selected. After 1 to 7 years, marginal bone level, fixture mobility, and radiolucency of tuberosity fixtures of the fixed prostheses were evaluated by digital panorama (Starpacs, Infinitt, Seoul, Korea). None of the fixtures of the tuberosity-installed implants for 1 to 7 years failed. The marginal bone level around the implants of the maxillary tuberosity 1 to 6 years (average 3.4 years) after the final prostheses was approximately 0.6 to 1.3 mm, with an average of 0.94 mm. The fixture installation at the maxillary tuberosity using the unilateral partially edentulous implant-fixed prosthesis would be a clinically acceptable treatment module. 2010 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

Materials for interocclusal records and their ability to reproduce a 3-dimensional jaw relationship.

PubMed

Ockert-Eriksson, G; Eriksson, A; Lockowandt, P; Eriksson, O

2000-01-01

The purpose of this study was to determine if accuracy and dimensional stability of vinyl polysiloxanes and irreversible hydrocolloids stabilized by a tray used for fixed prosthodontics, removable partial, and complete denture cases are comparable to those of waxes and record rims and if storage time (24 hours or 6 days) affects dimensional stability of the tested materials. Two waxes, two record rims, three vinyl polysiloxanes, and one irreversible hydrocolloid (alginate) were examined. Three pairs of master casts with measuring steel rods were mounted on an articulator (initial position). Five records were made of each material, and the upper cast was remounted after 24 hours or 6 days so that deviations from the initial position could be measured. Vinyl polysiloxanes reinforced by a stabilization tray were the most accurate materials able to reproduce a settled interocclusal position. Mounting casts (fixed prosthodontics cases) without records gave accuracy similar to wax records. Record rims used for removable partial and complete denture cases produced lesser accuracy than vinyl polysiloxanes and irreversible hydrocolloid stabilized by a tray. Accuracy was not significantly affected by storage time. The results show that accuracy of vinyl polysiloxanes and irreversible hydrocolloids reinforced by a tray is superior to that of record rims with regard to the complete denture case and is among the most accurate with regard to the removable partial denture case. For fixed prosthodontics, however, reinforcement is unnecessary.

Fixed Point Results for G-α-Contractive Maps with Application to Boundary Value Problems

PubMed Central

Roshan, Jamal Rezaei

2014-01-01

We unify the concepts of G-metric, metric-like, and b-metric to define new notion of generalized b-metric-like space and discuss its topological and structural properties. In addition, certain fixed point theorems for two classes of G-α-admissible contractive mappings in such spaces are obtained and some new fixed point results are derived in corresponding partially ordered space. Moreover, some examples and an application to the existence of a solution for the first-order periodic boundary value problem are provided here to illustrate the usability of the obtained results. PMID:24895655

MIS capacitor studies on silicon carbide single crystals

NASA Technical Reports Server (NTRS)

Kopanski, J. J.

1990-01-01

Cubic SIC metal-insulator-semiconductor (MIS) capacitors with thermally grown or chemical-vapor-deposited (CVD) insulators were characterized by capacitance-voltage (C-V), conductance-voltage (G-V), and current-voltage (I-V) measurements. The purpose of these measurements was to determine the four charge densities commonly present in an MIS capacitor (oxide fixed charge, N(f); interface trap level density, D(it); oxide trapped charge, N(ot); and mobile ionic charge, N(m)) and to determine the stability of the device properties with electric-field stress and temperature. The section headings in the report include the following: Capacitance-voltage and conductance-voltage measurements; Current-voltage measurements; Deep-level transient spectroscopy; and Conclusions (Electrical characteristics of SiC MIS capacitors).

POx/Al2O3 stacks: Highly effective surface passivation of crystalline silicon with a large positive fixed charge

NASA Astrophysics Data System (ADS)

Black, Lachlan E.; Kessels, W. M. M. Erwin

2018-05-01

Thin-film stacks of phosphorus oxide (POx) and aluminium oxide (Al2O3) are shown to provide highly effective passivation of crystalline silicon (c-Si) surfaces. Surface recombination velocities as low as 1.7 cm s-1 and saturation current densities J0s as low as 3.3 fA cm-2 are obtained on n-type (100) c-Si surfaces passivated by 6 nm/14 nm thick POx/Al2O3 stacks deposited in an atomic layer deposition system and annealed at 450 °C. This excellent passivation can be attributed in part to an unusually large positive fixed charge density of up to 4.7 × 1012 cm-2, which makes such stacks especially suitable for passivation of n-type Si surfaces.

Direct Observation of Charge Transfer at a MgO(111) Surface

NASA Astrophysics Data System (ADS)

Subramanian, A.; Marks, L. D.; Warschkow, O.; Ellis, D. E.

2004-01-01

Transmission electron diffraction (TED) combined with direct methods have been used to study the √(3)×√(3)R30° reconstruction on the polar (111) surface of MgO and refine the valence charge distribution. The surface is nonstoichiometric and is terminated by a single magnesium atom. A charge-compensating electron hole is localized in the next oxygen layer and there is a nominal charge transfer from the oxygen atoms to the top magnesium atom. The partial charges that we obtain for the surface atoms are in reasonable agreement with empirical bond-valence estimations.

A fully Sinc-Galerkin method for Euler-Bernoulli beam models

NASA Technical Reports Server (NTRS)

Smith, R. C.; Bowers, K. L.; Lund, J.

1990-01-01

A fully Sinc-Galerkin method in both space and time is presented for fourth-order time-dependent partial differential equations with fixed and cantilever boundary conditions. The Sinc discretizations for the second-order temporal problem and the fourth-order spatial problems are presented. Alternate formulations for variable parameter fourth-order problems are given which prove to be especially useful when applying the forward techniques to parameter recovery problems. The discrete system which corresponds to the time-dependent partial differential equations of interest are then formulated. Computational issues are discussed and a robust and efficient algorithm for solving the resulting matrix system is outlined. Numerical results which highlight the method are given for problems with both analytic and singular solutions as well as fixed and cantilever boundary conditions.

Occlusion for implant-supported fixed dental prostheses in partially edentulous patients: a literature review and current concepts

PubMed Central

Sukotjo, Cortino

2013-01-01

Implant treatment has become the treatment of choice to replace missing teeth in partially edentulous areas. Dental implants present different biological and biomechanical characteristics than natural teeth. Occlusion is considered to be one of the most important factors contributing to implant success. Most literature on implant occlusal concepts is based on expert opinion, anecdotal experiences, in vitro and animal studies, and only limited clinical research. Furthermore, scientific literature regarding implant occlusion, particularly in implant-supported fixed dental prostheses remains controversial. In this study, the current status of implant occlusion was reviewed and discussed. Further randomized clinical research to investigate the correlation between implant occlusion, the implant success rate, and its risk factors is warranted to determine best clinical practices. PMID:23678387

Space Weather Influence on Relative Motion Control using the Touchless Electrostatic Tractor

NASA Astrophysics Data System (ADS)

Hogan, Erik A.; Schaub, Hanspeter

2016-09-01

With recent interest in the use of electrostatic forces for contactless tugging and attitude control of noncooperative objects for orbital servicing and active debris mitigation, the need for a method of remote charge control arises. In this paper, the use of a directed electron beam for remote charge control is considered in conjunction with the relative motion control. A tug vehicle emits an electron beam onto a deputy object, charging it negatively. At the same time, the tug is charged positively due to beam emission, resulting in an attractive electrostatic force. The relative position feedback control between the tug and the passive debris object is studied subject to the charging being created through an electron beam. Employing the nominal variations of the GEO space weather conditions across longitude slots, two electrostatic tugging strategies are considered. First, the electron beam current is adjusted throughout the orbit in order to maximize this resulting electrostatic force. This open-loop control strategy compensates for changes in the nominally expected local space weather environment in the GEO region to adjust for fluctuations in the local plasma return currents. Second, the performance impact of using a fixed electron beam current on the electrostatic tractor is studied if the same natural space weather variations are assumed. The fixed electron beam current shows a minor performance penalty (<5 %) while providing a much simpler implementation that does not require any knowledge of local space weather conditions.

Selectively active markers for solving of the partial occlusion problem in matchmoving and chromakeying workflow

NASA Astrophysics Data System (ADS)

Mazurek, Przemysław

2013-09-01

Matchmoving (Match Moving) is the process used for the estimation of camera movements for further integration of acquired video image with computer graphics. The estimation of movements is possible using pattern recognition, 2D and 3D tracking algorithms. The main problem for the workflow is the partial occlusion of markers by the actor, because manual rotoscoping is necessary for fixing of the chroma-keyed footage. In the paper, the partial occlusion problem is solved using the invented, selectively active electronic markers. The sensor network with multiple infrared links detects occlusion state (no-occlusion, partial, full) and switch LED's based markers.

Prosthetic Rehabilitation of Mandibular Defects with Fixed-removable Partial Denture Prosthesis Using Precision Attachment: A Twin Case Report.

PubMed

Munot, Vimal Kantilal; Nayakar, Ramesh P; Patil, Raghunath

2017-01-01

The restoration of normal function and esthetic appearance with a dental prosthesis is a major challenge in the rehabilitation of patients who have lost their teeth and surrounding bone because of surgery for oral cyst or tumor. Rehabilitation with fixed or removable prosthesis is even more challenging when the edentulous span is long and the ridge is defective. Anatomic deformities and unfavorable biomechanics encountered in the region of resection add to the misery. In such situation, a fixed-removable prosthesis allows favorable biomechanical stress distribution along with restoration of esthetics, phonetics, comfort, hygiene, and better postoperative care and maintenance. This article describes rehabilitation of two cases with mandibular defects with an attachment-retained fixed-removable hybrid prosthesis.

Hydrodynamic flow of ions and atoms in partially ionized plasmas.

PubMed

Nemirovsky, R A; Fredkin, D R; Ron, A

2002-12-01

We have derived the hydrodynamic equations of motion for a partially ionized plasma, when the ionized component and the neutral components have different flow velocities and kinetic temperatures. Starting from the kinetic equations for a gas of ions and a gas of atoms we have considered various processes of encounters between the two species: self-collisions, interspecies collisions, ionization, recombination, and charge exchange. Our results were obtained by developing a general approach for the hydrodynamics of a gas in a binary mixture, in particular when the components drift with respect to each other. This was applied to a partially ionized plasma, when the neutral-species gas and the charged-species gas have separate velocities. We have further suggested a generalized version of the relaxation time approximation and obtained the contributions of the interspecies encounters to the transport equations.

Optical patterning of trapped charge in nitrogen-doped diamond

NASA Astrophysics Data System (ADS)

Jayakumar, Harishankar; Henshaw, Jacob; Dhomkar, Siddharth; Pagliero, Daniela; Laraoui, Abdelghani; Manson, Neil B.; Albu, Remus; Doherty, Marcus W.; Meriles, Carlos A.

2016-08-01

The nitrogen-vacancy (NV) centre in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge, which can be attained by optical excitation. Here, we use two-colour optical microscopy to investigate the dynamics of NV photo-ionization, charge diffusion and trapping in type-1b diamond. We combine fixed-point laser excitation and scanning fluorescence imaging to locally alter the concentration of negatively charged NVs, and to subsequently probe the corresponding redistribution of charge. We uncover the formation of spatial patterns of trapped charge, which we qualitatively reproduce via a model of the interplay between photo-excited carriers and atomic defects. Further, by using the NV as a probe, we map the relative fraction of positively charged nitrogen on localized optical excitation. These observations may prove important to transporting quantum information between NVs or to developing three-dimensional, charge-based memories.

Optical patterning of trapped charge in nitrogen-doped diamond.

PubMed

Jayakumar, Harishankar; Henshaw, Jacob; Dhomkar, Siddharth; Pagliero, Daniela; Laraoui, Abdelghani; Manson, Neil B; Albu, Remus; Doherty, Marcus W; Meriles, Carlos A

2016-08-30

The nitrogen-vacancy (NV) centre in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge, which can be attained by optical excitation. Here, we use two-colour optical microscopy to investigate the dynamics of NV photo-ionization, charge diffusion and trapping in type-1b diamond. We combine fixed-point laser excitation and scanning fluorescence imaging to locally alter the concentration of negatively charged NVs, and to subsequently probe the corresponding redistribution of charge. We uncover the formation of spatial patterns of trapped charge, which we qualitatively reproduce via a model of the interplay between photo-excited carriers and atomic defects. Further, by using the NV as a probe, we map the relative fraction of positively charged nitrogen on localized optical excitation. These observations may prove important to transporting quantum information between NVs or to developing three-dimensional, charge-based memories.

Optical patterning of trapped charge in nitrogen-doped diamond

PubMed Central

Jayakumar, Harishankar; Henshaw, Jacob; Dhomkar, Siddharth; Pagliero, Daniela; Laraoui, Abdelghani; Manson, Neil B.; Albu, Remus; Doherty, Marcus W.; Meriles, Carlos A.

2016-01-01

The nitrogen-vacancy (NV) centre in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge, which can be attained by optical excitation. Here, we use two-colour optical microscopy to investigate the dynamics of NV photo-ionization, charge diffusion and trapping in type-1b diamond. We combine fixed-point laser excitation and scanning fluorescence imaging to locally alter the concentration of negatively charged NVs, and to subsequently probe the corresponding redistribution of charge. We uncover the formation of spatial patterns of trapped charge, which we qualitatively reproduce via a model of the interplay between photo-excited carriers and atomic defects. Further, by using the NV as a probe, we map the relative fraction of positively charged nitrogen on localized optical excitation. These observations may prove important to transporting quantum information between NVs or to developing three-dimensional, charge-based memories. PMID:27573190

Charge Transport and Thermoelectric Properties of (Nd1- z Yb z ) y Fe4- x Co x Sb12 Skutterudites

NASA Astrophysics Data System (ADS)

Shin, Dong-Kil; Jang, Kyung-Wook; Choi, Soon-Mok; Lee, Soonil; Seo, Won-Seon; Kim, Il-Ho

2018-06-01

Partially double-filled (Nd1- z Yb z ) y Fe4- x Co x Sb12 ( z = 0.25, 0.75, y = 0.8, and x = 0, 0.5, 1.0) skutterudites were prepared by encapsulated melting, annealing, and hot pressing, and the effects of Nd/Yb partial double filling and Co charge compensation on the microstructure, charge transport, and thermoelectric properties were investigated. All the specimens were transformed to the skutterudite phase together with a few secondary phases such as FeSb2, but FeSb2 formation was suppressed on increasing Co content. Nd and Yb were successfully double-filled in the voids of the skutterudite lattice and Co was well substituted at Fe sites, as indicated by changes in the lattice constant with Nd/Yb filling and Fe/Co substitution. All the specimens showed p-type conduction and exhibited degenerate semiconductor characteristics at temperatures from 323 K to 823 K, and the charge transport properties depended on the filling ratio of Nd and Yb because of the difference between the valencies of Nd and Yb. The electrical conductivity decreased and the Seebeck coefficient increased owing to a decrease in the carrier concentration with increasing Co content. The lattice thermal conductivity decreased because phonon scattering was enhanced by Nd and Yb partial double filling, but partially double-filled specimens did not exhibit a further significant reduction in the lattice thermal conductivity compared with the completely double-filled specimens. A maximum ZT of 0.83 was obtained for (Nd0.75Yb0.25)0.8Fe3CoSb12 at 723 K.

Langmuir wave phase-mixing in warm electron-positron-dusty plasmas

NASA Astrophysics Data System (ADS)

Pramanik, Sourav; Maity, Chandan

2018-04-01

An analytical study on nonlinear evolution of Langmuir waves in warm electron-positron-dusty plasmas is presented. The massive dust grains of either positively or negatively charged are assumed to form a fixed charge neutralizing background. A perturbative analysis of the fluid-Maxwell's equations confirms that the excited Langmuir waves phase-mix and eventually break, even at arbitrarily low amplitudes. It is shown that the nature of the dust-charge as well as the amount of dust grains can significantly influence the Langmuir wave phase-mixing process. The phase-mixing time is also found to increase with the temperature.

Fixed point and anomaly mediation in partial {\\boldsymbol{N}}=2 supersymmetric standard models

NASA Astrophysics Data System (ADS)

Yin, Wen

2018-01-01

Motivated by the simple toroidal compactification of extra-dimensional SUSY theories, we investigate a partial N = 2 supersymmetric (SUSY) extension of the standard model which has an N = 2 SUSY sector and an N = 1 SUSY sector. We point out that below the scale of the partial breaking of N = 2 to N = 1, the ratio of Yukawa to gauge couplings embedded in the original N = 2 gauge interaction in the N = 2 sector becomes greater due to a fixed point. Since at the partial breaking scale the sfermion masses in the N = 2 sector are suppressed due to the N = 2 non-renormalization theorem, the anomaly mediation effect becomes important. If dominant, the anomaly-induced masses for the sfermions in the N = 2 sector are almost UV-insensitive due to the fixed point. Interestingly, these masses are always positive, i.e. there is no tachyonic slepton problem. From an example model, we show interesting phenomena differing from ordinary MSSM. In particular, the dark matter particle can be a sbino, i.e. the scalar component of the N = 2 vector multiplet of {{U}}{(1)}Y. To obtain the correct dark matter abundance, the mass of the sbino, as well as the MSSM sparticles in the N = 2 sector which have a typical mass pattern of anomaly mediation, is required to be small. Therefore, this scenario can be tested and confirmed in the LHC and may be further confirmed by the measurement of the N = 2 Yukawa couplings in future colliders. This model can explain dark matter, the muon g-2 anomaly, and gauge coupling unification, and relaxes some ordinary problems within the MSSM. It is also compatible with thermal leptogenesis.

The teaching of fixed partial dentures in undergraduate dental schools in Ireland and the United Kingdom.

PubMed

Lynch, C D; Singhrao, H; Addy, L D; Gilmour, A S M

2010-12-01

All areas of the practice of dentistry are evolving at a considerable pace. One area in particular which has seen a rapid revolution is the oral rehabilitation of partially dentate adults. The aim of this study was to describe the contemporary teaching of fixed partial dentures (FPDs) in dental schools in Ireland and the United Kingdom. An online questionnaire which sought information in relation to the current teaching of FPDs was developed and distributed to 15 Irish and UK dental schools with undergraduate teaching programmes in Spring 2009. Responses were received from 12 schools (response rate=80%). All schools offer teaching programmes in relation to FPDs. The number of hours devoted to pre-clinical/phantom head teaching of FPDs ranged from 3 to 42h (mean: 16h). The staff/student ratio for pre-clinical teaching courses in FPDs ranged from 1:6 to 1:18 (mode: 1:12). Cantilever resin-retained FPDs were the most popular type of FPD provided clinically (average=0·83 per school; range=1-2). Five schools (42%) report that they have requirements (e.g. targets, quotas, competencies) which students must complete prior to graduation in relation to FPDs. Fixed partial dentures form an important part of the undergraduate teaching programme in UK and Irish dental schools. While this teaching is subjected to contemporary pressures such as lack of curriculum time and a lack of available clinical facilities and teachers, there is evidence that teaching programmes in this area are evolving and are sensitive to current clinical practice trends and evidence-based practice. © 2010 Blackwell Publishing Ltd.

OCT and shear-force evaluations of zirconia Fixed Partial Prosthesis processed with a conventional CAD/CAM technology

NASA Astrophysics Data System (ADS)

Zaharia, C.; Gabor, A.; Sinescu, C.; Topala, F. I.; Negrutiu, M. L.; Levai, C. M.; Duma, V. F.; Bradu, A.; Podoleanu, A. Gh.

2016-03-01

Introduction. Dental ceramics show better biocompatibility and aesthetic properties in dental constructs with regard to metals. However, they also have an insufficient mechanical stability, as well as low resistance limits due to their fragility. Taking into account these aspects, glass infiltrated with ceramic materials such as alumina (i.e., zirconiareinforced ceramics) is being nowadays considered a better material for full fixed partial prostheses (FPPs) than ceramics: the former has a higher mechanical resistance, which makes it more appropriate for restoration areas, where there is an increased mechanical stress. The interest for zirconia is growing due both to its resistance and to the possibility to develop such prostheses using the CAD/CAM technology. Materials and methods. 24 all ceramic FPPs created with CAD/CAM technology were used. The models were scanned with Zeno Wieland Scanner, a one touch scanning machine which requires between 45-60 s for a full model scan. The scanner provides 3 axis-architecture and automatic data processing. The zirconia infrastructures resulted from milling zirconia green disks in Wieland units, followed by the deposition of ceramic masses and then by burning procedures. All the samples were assessed with a Time Domain Optical Coherence Tomography (TD-OCT) system working at a wavelenght of 1300 nm. Using OCT investigations, material defects were detected in the areas of maximal tension, i.e. the connectors, the oclusal, and the cervical areas. These samples with defects in the above areas have not been considered for the study further on. Finally, the samples were loaded in a MultiTest 5 i Mecmesin system and tested until fracture occurred. The MultiTest 5-i creates tensile and compression forces of up to 5 kN. Results and discussions. All the test samples survived a dynamic load of 1.2 x 107 cycles and a thermal cycle mixer simulator version; signs of failure in terms of fracture lines were observed in all samples. The average value of the force necessary to break the FPPs obtained from the tests is 1750 N. Conclusions. Conventional metal-ceramic fixed partial dentures are still considered the standard for edentulous spaces in the posterior region. Therefore, the resistance of metal-ceramic fixed partial dentures has served in this study as a guide for new ceramics tests. All the values from this study conducted in FPP with zirconia frames were much lower than the values reported for metal ceramic fixed partial dentures (i.e., 2500-3000 N), but higher that 1000 N, which is considered the lowest resistance point to be utilized in the rear region of the oral cavity.

Recovery of Utility Fixed Costs: Utility, Consumer, Environmental and Economist Perspectives

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

Wood, Lisa; Hemphill, Ross; Howat, John

Utilities recover costs for providing electric service to retail customers through a combination of rate components that together comprise customers’ monthly electric bills. Rates and rate designs are set by state regulators and vary by jurisdiction, utility and customer class. In addition to the fundamental tenet of setting fair and reasonable rates, rate design balances economic efficiency, equity and fairness, customer satisfaction, utility revenue stability, and customer price and bill stability.1 At the most basic level, retail electricity bills in the United States typically include a fixed monthly customer charge — a set dollar amount regardless of energy usage —more » and a volumetric energy charge for each kilowatt-hour consumed.2 The energy charge may be flat across all hours, vary by usage level (for example, higher rates at higher levels of usage), or vary based on time of consumption.3 While some utility costs, such as fuel costs, clearly vary according to electricity usage, other costs are “fixed” over the short run — generally, those that do not vary over the course of a year. Depending on your point of view, and whether the state’s electricity industry has been restructured or remains vertically integrated, the set of costs that are “fixed” may be quite limited. Or the set may extend to all capacity costs for generation, transmission and distribution. In the long run, all costs are variable. In the context of flat or declining loads in some regions, utilities are proposing a variety of changes to retail rate designs, particularly for residential customers, to recover fixed costs. In this report, authors representing utility (Chapter 1), consumer (Chapter 2), environmentalist (Chapter 3) and economist (Chapter 4) perspectives discuss fixed costs for electric utilities and set out their principles for recovering those costs. The table on the next page summarizes each author’s relative preferences for various options for fixed cost recovery, some of which may be used in combination.4 The specific design of any ratemaking option matters crucially, so a general preference for a given option does not indicate support for any particular application.« less

Introducing Electromagnetic Field Momentum

ERIC Educational Resources Information Center

Hu, Ben Yu-Kuang

2012-01-01

I describe an elementary way of introducing electromagnetic field momentum. By considering a system of a long solenoid and line charge, the dependence of the field momentum on the electric and magnetic fields can be deduced. I obtain the electromagnetic angular momentum for a point charge and magnetic monopole pair partially through dimensional…

A Spaceborne Synthetic Aperture Radar Partial Fixed-Point Imaging System Using a Field- Programmable Gate Array—Application-Specific Integrated Circuit Hybrid Heterogeneous Parallel Acceleration Technique

PubMed Central

Li, Bingyi; Chen, Liang; Wei, Chunpeng; Xie, Yizhuang; Chen, He; Yu, Wenyue

2017-01-01

With the development of satellite load technology and very large scale integrated (VLSI) circuit technology, onboard real-time synthetic aperture radar (SAR) imaging systems have become a solution for allowing rapid response to disasters. A key goal of the onboard SAR imaging system design is to achieve high real-time processing performance with severe size, weight, and power consumption constraints. In this paper, we analyse the computational burden of the commonly used chirp scaling (CS) SAR imaging algorithm. To reduce the system hardware cost, we propose a partial fixed-point processing scheme. The fast Fourier transform (FFT), which is the most computation-sensitive operation in the CS algorithm, is processed with fixed-point, while other operations are processed with single precision floating-point. With the proposed fixed-point processing error propagation model, the fixed-point processing word length is determined. The fidelity and accuracy relative to conventional ground-based software processors is verified by evaluating both the point target imaging quality and the actual scene imaging quality. As a proof of concept, a field- programmable gate array—application-specific integrated circuit (FPGA-ASIC) hybrid heterogeneous parallel accelerating architecture is designed and realized. The customized fixed-point FFT is implemented using the 130 nm complementary metal oxide semiconductor (CMOS) technology as a co-processor of the Xilinx xc6vlx760t FPGA. A single processing board requires 12 s and consumes 21 W to focus a 50-km swath width, 5-m resolution stripmap SAR raw data with a granularity of 16,384 × 16,384. PMID:28672813

A Spaceborne Synthetic Aperture Radar Partial Fixed-Point Imaging System Using a Field- Programmable Gate Array-Application-Specific Integrated Circuit Hybrid Heterogeneous Parallel Acceleration Technique.

PubMed

Yang, Chen; Li, Bingyi; Chen, Liang; Wei, Chunpeng; Xie, Yizhuang; Chen, He; Yu, Wenyue

2017-06-24

With the development of satellite load technology and very large scale integrated (VLSI) circuit technology, onboard real-time synthetic aperture radar (SAR) imaging systems have become a solution for allowing rapid response to disasters. A key goal of the onboard SAR imaging system design is to achieve high real-time processing performance with severe size, weight, and power consumption constraints. In this paper, we analyse the computational burden of the commonly used chirp scaling (CS) SAR imaging algorithm. To reduce the system hardware cost, we propose a partial fixed-point processing scheme. The fast Fourier transform (FFT), which is the most computation-sensitive operation in the CS algorithm, is processed with fixed-point, while other operations are processed with single precision floating-point. With the proposed fixed-point processing error propagation model, the fixed-point processing word length is determined. The fidelity and accuracy relative to conventional ground-based software processors is verified by evaluating both the point target imaging quality and the actual scene imaging quality. As a proof of concept, a field- programmable gate array-application-specific integrated circuit (FPGA-ASIC) hybrid heterogeneous parallel accelerating architecture is designed and realized. The customized fixed-point FFT is implemented using the 130 nm complementary metal oxide semiconductor (CMOS) technology as a co-processor of the Xilinx xc6vlx760t FPGA. A single processing board requires 12 s and consumes 21 W to focus a 50-km swath width, 5-m resolution stripmap SAR raw data with a granularity of 16,384 × 16,384.

33 CFR 140.103 - Annual inspection of fixed OCS facilities.

Code of Federal Regulations, 2011 CFR

2011-07-01

...), inspections by Coast Guard marine inspectors and Bureau of Ocean Energy Management, Regulation, and... Officer in Charge, Marine Inspection. A copy of the completed form must be kept for 2 years after the...

STS-26 crew trains in JSC fixed-based (FB) shuttle mission simulator (SMS)

NASA Image and Video Library

1987-10-20

S87-46304 (20 Oct 1987) --- Astronauts Frederick H. (Rick) Hauck, left, STS-26 commander, and Richard O. Covey, pilot, man their respective stations in the Shuttle mission simulator (fixed base) at the Johnson Space Center. A simulation for their anticipated June 1988 flight aboard the space shuttle Discovery began Oct. 20. Astronaut David C. Hilmers, one of three mission specialists for the flight, is partially visible in the foreground.

Hawking radiation from charged black holes via gauge and gravitational anomalies.

PubMed

Iso, Satoshi; Umetsu, Hiroshi; Wilczek, Frank

2006-04-21

Extending the method of Robinson and Wolczek, we show that in order to avoid a breakdown of general covariance and gauge invariance at the quantum level the total flux of charge and energy in each outgoing partial wave of a charged quantum field in a Reissner-Nordström black hole background must be equal to that of a (1 + 1)-dimensional blackbody at the Hawking temperature with the appropriate chemical potential.

Dynamic modeling of spacecraft in a collisionless plasma

NASA Technical Reports Server (NTRS)

Katz, I.; Parks, D. E.; Wang, S. S.; Wilson, A.

1977-01-01

A new computational model is described which can simulate the charging of complex geometrical objects in three dimensions. Two sample calculations are presented. In the first problem, the capacitance to infinity of a complex object similar to a satellite with solar array paddles is calculated. The second problem concerns the dynamical charging of a conducting cube partially covered with a thin dielectric film. In this calculation, the photoemission results in differential charging of the object.

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

Bonthuis, Douwe Jan, E-mail: douwe.bonthuis@physics.ox.ac.uk; Mamatkulov, Shavkat I.; Netz, Roland R.

We optimize force fields for H{sub 3}O{sup +} and OH{sup −} that reproduce the experimental solvation free energies and the activities of H{sub 3}O{sup +} Cl{sup −} and Na{sup +} OH{sup −} solutions up to concentrations of 1.5 mol/l. The force fields are optimized with respect to the partial charge on the hydrogen atoms and the Lennard-Jones parameters of the oxygen atoms. Remarkably, the partial charge on the hydrogen atom of the optimized H{sub 3}O{sup +} force field is 0.8 ± 0.1|e|—significantly higher than the value typically used for nonpolarizable water models and H{sub 3}O{sup +} force fields. In contrast,more » the optimal partial charge on the hydrogen atom of OH{sup −} turns out to be zero. Standard combination rules can be used for H{sub 3}O{sup +} Cl{sup −} solutions, while for Na{sup +} OH{sup −} solutions, we need to significantly increase the effective anion-cation Lennard-Jones radius. While highlighting the importance of intramolecular electrostatics, our results show that it is possible to generate thermodynamically consistent force fields without using atomic polarizability.« less

A quantitative analysis of municipal solid waste disposal charges in China.

PubMed

Wu, Jian; Zhang, Weiqian; Xu, Jiaxuan; Che, Yue

2015-03-01

Rapid industrialization and economic development have caused a tremendous increase in municipal solid waste (MSW) generation in China. China began implementing a policy of MSW disposal fees for household waste management at the end of last century. Three charging methods were implemented throughout the country: a fixed disposal fee, a potable water-based disposal fee, and a plastic bag-based disposal fee. To date, there has been little qualitative or quantitative analysis on the effectiveness of this relatively new policy. This paper provides a general overview of MSW fee policy in China, attempts to verify whether the policy is successful in reducing general waste collected, and proposes an improved charging system to address current problems. The paper presents an empirical statistical analysis of policy effectiveness derived from an environmental Kuznets curve (EKC) test on panel data of China. EKC tests on different kinds of MSW charge systems were then examined for individual provinces or cities. A comparison of existing charging systems was conducted using environmental and economic criteria. The results indicate the following: (1) the MSW policies implemented over the study period were effective in the reduction of waste generation, (2) the household waste discharge fee policy did not act as a strong driver in terms of waste prevention and reduction, and (3) the plastic bag-based disposal fee appeared to be performing well according to qualitative and quantitative analysis. Based on current situation of waste discharging management in China, a three-stage transitional charging scheme is proposed and both advantages and drawbacks discussed. Evidence suggests that a transition from a fixed disposal fee to a plastic bag-based disposal fee involving various stakeholders should be the next objective of waste reduction efforts.

Charged fixed point in the Ginzburg-Landau superconductor and the role of the Ginzburg parameter /κ

NASA Astrophysics Data System (ADS)

Kleinert, Hagen; Nogueira, Flavio S.

2003-02-01

We present a semi-perturbative approach which yields an infrared-stable fixed point in the Ginzburg-Landau for N=2, where N/2 is the number of complex components. The calculations are done in d=3 dimensions and below Tc, where the renormalization group functions can be expressed directly as functions of the Ginzburg parameter κ which is the ratio between the two fundamental scales of the problem, the penetration depth λ and the correlation length ξ. We find a charged fixed point for κ>1/ 2, that is, in the type II regime, where Δκ≡κ-1/ 2 is shown to be a natural expansion parameter. This parameter controls a momentum space instability in the two-point correlation function of the order field. This instability appears at a non-zero wave-vector p0 whose magnitude scales like ˜ Δκ β¯, with a critical exponent β¯=1/2 in the one-loop approximation, a behavior known from magnetic systems with a Lifshitz point in the phase diagram. This momentum space instability is argued to be the origin of the negative η-exponent of the order field.

Charge-transfer modified embedded atom method dynamic charge potential for Li-Co-O system

NASA Astrophysics Data System (ADS)

Kong, Fantai; Longo, Roberto C.; Liang, Chaoping; Nie, Yifan; Zheng, Yongping; Zhang, Chenxi; Cho, Kyeongjae

2017-11-01

To overcome the limitation of conventional fixed charge potential methods for the study of Li-ion battery cathode materials, a dynamic charge potential method, charge-transfer modified embedded atom method (CT-MEAM), has been developed and applied to the Li-Co-O ternary system. The accuracy of the potential has been tested and validated by reproducing a variety of structural and electrochemical properties of LiCoO2. A detailed analysis on the local charge distribution confirmed the capability of this potential for dynamic charge modeling. The transferability of the potential is also demonstrated by its reliability in describing Li-rich Li2CoO2 and Li-deficient LiCo2O4 compounds, including their phase stability, equilibrium volume, charge states and cathode voltages. These results demonstrate that the CT-MEAM dynamic charge potential could help to overcome the challenge of modeling complex ternary transition metal oxides. This work can promote molecular dynamics studies of Li ion cathode materials and other important transition metal oxides systems that involve complex electrochemical and catalytic reactions.

Charge-transfer modified embedded atom method dynamic charge potential for Li-Co-O system.

PubMed

Kong, Fantai; Longo, Roberto C; Liang, Chaoping; Nie, Yifan; Zheng, Yongping; Zhang, Chenxi; Cho, Kyeongjae

2017-11-29

To overcome the limitation of conventional fixed charge potential methods for the study of Li-ion battery cathode materials, a dynamic charge potential method, charge-transfer modified embedded atom method (CT-MEAM), has been developed and applied to the Li-Co-O ternary system. The accuracy of the potential has been tested and validated by reproducing a variety of structural and electrochemical properties of LiCoO 2 . A detailed analysis on the local charge distribution confirmed the capability of this potential for dynamic charge modeling. The transferability of the potential is also demonstrated by its reliability in describing Li-rich Li 2 CoO 2 and Li-deficient LiCo 2 O 4 compounds, including their phase stability, equilibrium volume, charge states and cathode voltages. These results demonstrate that the CT-MEAM dynamic charge potential could help to overcome the challenge of modeling complex ternary transition metal oxides. This work can promote molecular dynamics studies of Li ion cathode materials and other important transition metal oxides systems that involve complex electrochemical and catalytic reactions.

Multiplicity distributions of charged hadrons in vp and charged current interactions

NASA Astrophysics Data System (ADS)

Jones, G. T.; Jones, R. W. L.; Kennedy, B. W.; Morrison, D. R. O.; Mobayyen, M. M.; Wainstein, S.; Aderholz, M.; Hantke, D.; Katz, U. F.; Kern, J.; Schmitz, N.; Wittek, W.; Borner, H. P.; Myatt, G.; Radojicic, D.; Burke, S.

1992-03-01

Using data on vp andbar vp charged current interactions from a bubble chamber experiment with BEBC at CERN, the multiplicity distributions of charged hadrons are investigated. The analysis is based on ˜20000 events with incident v and ˜10000 events with incidentbar v. The invariant mass W of the total hadronic system ranges from 3 GeV to ˜14 GeV. The experimental multiplicity distributions are fitted by the binomial function (for different intervals of W and in different intervals of the rapidity y), by the Levy function and the lognormal function. All three parametrizations give acceptable values for X 2. For fixed W, forward and backward multiplicities are found to be uncorrelated. The normalized moments of the charged multiplicity distributions are measured as a function of W. They show a violation of KNO scaling.

Like-charge attraction in a one-dimensional setting: the importance of being odd

NASA Astrophysics Data System (ADS)

Trizac, Emmanuel; Téllez, Gabriel

2018-03-01

From cement cohesion to DNA condensation, a proper statistical physics treatment of systems with long-range forces is important for a number of applications in physics, chemistry, and biology. We compute here the effective force between fixed charged macromolecules, screened by oppositely charged mobile ions (counterions). We treat the problem in a one-dimensional configuration that allows for interesting discussion and derivation of exact results, remaining at a level of mathematical difficulty compatible with an undergraduate course. Emphasis is put on the counterintuitive but fundamental phenomenon of like-charge attraction, which our treatment brings for the first time to the level of undergraduate teaching. The parity of the number of counterions is shown to play a prominent role, which sheds light on the binding mechanism at work when like-charge macromolecules do attract.

Improved understanding of the recombination rate at inverted p+ silicon surfaces

NASA Astrophysics Data System (ADS)

To, Alexander; Ma, Fajun; Hoex, Bram

2017-08-01

The effect of positive fixed charge on the recombination rate at SiN x -passivated p+ surfaces is studied in this work. It is shown that a high positive fixed charge on a low defect density, passivated doped surface can result in a near injection level independent lifetime in a certain injection level range. This behaviour is modelled with advanced computer simulations using Sentaurus TCAD, which replicates the measurements conditions during a photoconductance based effective minority carrier lifetime measurement. The resulting simulations show that the shape of the injection level dependent lifetime is a result of the surface recombination rate, which is non-linear due to the surfaces moving into inversion with increasing injection level. As a result, the surface recombination rate switches from being limited by electrons to holes. Equations describing the surface saturation current density, J 0s, during this regime are also derived in this work.

Simple liquid models with corrected dielectric constants

PubMed Central

Fennell, Christopher J.; Li, Libo; Dill, Ken A.

2012-01-01

Molecular simulations often use explicit-solvent models. Sometimes explicit-solvent models can give inaccurate values for basic liquid properties, such as the density, heat capacity, and permittivity, as well as inaccurate values for molecular transfer free energies. Such errors have motivated the development of more complex solvents, such as polarizable models. We describe an alternative here. We give new fixed-charge models of solvents for molecular simulations – water, carbon tetrachloride, chloroform and dichloromethane. Normally, such solvent models are parameterized to agree with experimental values of the neat liquid density and enthalpy of vaporization. Here, in addition to those properties, our parameters are chosen to give the correct dielectric constant. We find that these new parameterizations also happen to give better values for other properties, such as the self-diffusion coefficient. We believe that parameterizing fixed-charge solvent models to fit experimental dielectric constants may provide better and more efficient ways to treat solvents in computer simulations. PMID:22397577

Probing the Importance of Charge Flux in Force Field Modeling.

PubMed

Sedghamiz, Elaheh; Nagy, Balazs; Jensen, Frank

2017-08-08

We analyze the conformational dependence of atomic charges and molecular dipole moments for a selection of ∼900 conformations of peptide models of the 20 neutral amino acids. Based on a set of reference density functional theory calculations, we partition the changes into effects due to changes in bond distances, bond angles, and torsional angles and into geometry and charge flux contributions. This allows an assessment of the limitations of fixed charge force fields and indications for how to design improved force fields. The torsional degrees of freedom are the main contribution to conformational changes of atomic charges and molecular dipole moments, but indirect effects due to change in bond distances and angles account for ∼25% of the variation. Charge flux effects dominate for changes in bond distances and are also the main component of the variation in bond angles, while they are ∼25% compared to the geometry variations for torsional degrees of freedom. The geometry and charge flux contributions to some extent produce compensating effects.

The CO2 stimulus for cerebrovascular reactivity: Fixing inspired concentrations vs. targeting end-tidal partial pressures.

PubMed

Fisher, Joseph A

2016-06-01

Cerebrovascular reactivity (CVR) studies have elucidated the physiology and pathophysiology of cerebral blood flow regulation. A non-invasive, high spatial resolution approach uses carbon dioxide (CO2) as the vasoactive stimulus and magnetic resonance techniques to estimate the cerebral blood flow response. CVR is assessed as the ratio response change to stimulus change. Precise control of the stimulus is sought to minimize CVR variability between tests, and show functional differences. Computerized methods targeting end-tidal CO2 partial pressures are precise, but expensive. Simpler, improvised methods that fix the inspired CO2 concentrations have been recommended as less expensive, and so more widely accessible. However, these methods have drawbacks that have not been previously presented by those that advocate their use, or those that employ them in their studies. As one of the developers of a computerized method, I provide my perspective on the trade-offs between these two methods. The main concern is that declaring the precision of fixed inspired concentration of CO2 is misleading: it does not, as implied, translate to precise control of the actual vasoactive stimulus - the arterial partial pressure of CO2 The inherent test-to-test, and therefore subject-to-subject variability, precludes clinical application of findings. Moreover, improvised methods imply widespread duplication of development, assembly time and costs, yet lack uniformity and quality control. A tabular comparison between approaches is provided. © The Author(s) 2016.

Effect of cantilever length and alloy framework on the stress distribution in peri-implant area of cantilevered implant-supported fixed partial dentures

PubMed Central

SUEDAM, Valdey; MORETTI, Rafael Tobias; SOUSA, Edson Antonio Capello; RUBO, José Henrique

2016-01-01

ABSTRACT Because many mechanical variables are present in the oral cavity, the proper load transfer between the prosthesis and the bone is important for treatment planning and for the longevity of the implant-supported fixed partial denture. Objectives To verify the stress generated on the peri-implant area of cantilevered implant-supported fixed partial dentures and the potential effects of such variable. Material and Methods A U-shaped polyurethane model simulating the mandibular bone containing two implants (Ø 3.75 mm) was used. Six groups were formed according to the alloy’s framework (CoCr or PdAg) and the point of load application (5 mm, 10 mm and 15 mm of cantilever arm). A 300 N load was applied in pre-determined reference points. The tension generated on the mesial, lingual, distal and buccal sides of the peri-implant regions was assessed using strain gauges. Results Two-way ANOVA and Tukey statistical tests were applied showing significant differences (p<0.05) between the groups. Pearson correlation test (p<0.05) was applied showing positive correlations between the increase of the cantilever arm and the deformation of the peri-implant area. Conclusions This report demonstrated the CoCr alloy shows larger compression values compared to the PdAg alloy for the same distances of cantilever. The point of load application influences the deformation on the peri-implant area, increasing in accordance with the increase of the lever arm. PMID:27119758

[Permanent disability and the insurance estimation process].

PubMed

Soumah, M M; Mbaye, I; Ndiaye, M; Bah, H; Gaye Fall, M C; Sow, M L

2006-01-01

The casualties are indemnified according to two processes. First by transaction on rate proposition of insurance physicians, and the second process on rate proposition by a medical expert assigned by law-court. Indemnification scale failure justifies the Interafrican Conference of insurance Markets code adoption. Six insurance societies and the Automotive Guarantee Fund were debtors. Only 627 victims had been indemnified between 1986 and 2003. Expert valuations done at forensic medicine service were the support of the investigation. Inquired parameters were insurance societies, regulation type, aftermaths and the retained prejudices. The data collected on computer card have been analyzed by software Epi Info. The partial permanent inabilities fixed since its adoption differ to inabilities fixed before this adoption. Transaction process concerned 567 victims (90.4%). Sixty victims were indemnified by judicial way. According to process type, the rates fixed in judicial process were 61.6% middle permanent partial inabilities. After 1997, there have observed a decrease in the high and middle permanent partial inabilities in the two processes. The appreciation of the pretium doloris is more subjective but must repair the aftermaths. The middle pretium was majority in the two processes, before and after 1997 with a high decrease of the middle pretium in the transaction process (-15.07) and a small pretium increase of 10.98 points. A common scale code has decreased the judicial litigation concerning casualties in spite of scales' limits. Only the patients with important aftermaths arrive in the judicial process since 1997.

Molecular Modeling in Drug Design for the Development of Organophosphorus Antidotes/Prophylactics.

DTIC Science & Technology

1985-08-01

10 1. INTERFACING OF PROGRAMS ......................... 10 2. PARAMETERIZATION OF ALLINGERS MM2 PROGRAM ....... 11 3. MUSCARINIC AGONISTS...CALCULATION OF PARTIAL CHARGES ..................... 45 10. DERIVATIONOF ELECTROSTATIC POTENTIAL CONTOURS... 53 CONCLUSIONS...60 APPENDIX A - MNDO CHARGE CALCULATIONS ..................... 62 6mwwm &&A-Q- 5.- FIGURES PAGE FIGURE 1 - CHOLINERGIC RECEPTOR MODEL OF KIER

Demystifying Introductory Chemistry. Part 3: Ionization Energies, Electronegativity, Polar Bonds, and Partial Charges.

ERIC Educational Resources Information Center

Spencer, James; And Others

1996-01-01

Shows how ionization energies provide a convenient method for obtaining electronegativity values that is simpler than the conventional methods. Demonstrates how approximate atomic charges can be calculated for polar molecules and how this method of determining electronegativities may lead to deeper insights than are typically possible for the…

Electrolyte Solutions and Specific Ion Effects on Interfaces

ERIC Educational Resources Information Center

Friedman, Ran

2013-01-01

Introductory general and physical chemistry courses often deal with colligative properties of solutions and do not discuss nonideal solutions in detail. Yet, a growing body of evidence reveals that even at physiological concentrations electrolyte solutions cannot be treated as ideal when a charged or partially charged solute (such as a protein) is…

Nuclear electromagnetic charge and current operators in Chiral EFT

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

Girlanda, Luca; Marcucci, Laura Elisa; Pastore, Saori

2013-08-01

We describe our method for deriving the nuclear electromagnetic charge and current operators in chiral perturbation theory, based on time-ordered perturbation theory. We then discuss possible strategies for fixing the relevant low-energy constants, from the magnetic moments of the deuteron and of the trinucleons, and from the radiative np capture cross sections, and identify a scheme which, partly relying on {Delta} resonance saturation, leads to a reasonable pattern of convergence of the chiral expansion.

CdTe X-ray detectors under strong optical irradiation

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

Cola, Adriano; Farella, Isabella

2014-11-17

The perturbation behaviour of Ohmic and Schottky CdTe detectors under strong optical pulses is investigated. To this scope, the electric field profiles and the induced charge transients are measured, thus simultaneously addressing fixed and free charges properties, interrelated by one-carrier trapping. The results elucidate the different roles of the contacts and deep levels, both under dark and strong irradiation conditions, and pave the way for the improvement of detector performance control under high X-ray fluxes.

Elucidation of reaction mechanisms of Ni2SnP in Li-ion and Na-ion systems

NASA Astrophysics Data System (ADS)

Marino, C.; Dupré, N.; Villevieille, C.

2017-10-01

Electrochemical performance of Ni2SnP was assessed in Li-ion and Na-ion battery systems. When cycled versus Li, Ni2SnP exhibited a reversible specific charge of 700 mAh.g-1 (theoretical specific charge: 742 mAh.g-1). In the Na system, the specific observed charge was ca. 200 mAh.g-1 (theoretical specific charge: 676 mAh.g-1). X-ray diffraction, Ni K-edge X-ray absorption spectroscopy, and 31P and 7Li/23Na nuclear magnetic resonance spectroscopy were used to elucidate the electrochemical mechanisms in both systems. Versus Li, Ni2SnP undergoes a conversion reaction resulting in the extrusion of Ni and the alloying of Li-Sn and Li-P. On delithiation, the material partially recombines into a Sn- and Ni-deficient form. In the Na system, Ni2SnP reacts through the conversion of P into Na3P. These results indicate that the recombination of the pristine material (even partially) increases cycling stability.

A dynamic parking charge optimal control model under perspective of commuters' evolutionary game behavior

NASA Astrophysics Data System (ADS)

Lin, XuXun; Yuan, PengCheng

2018-01-01

In this research we consider commuters' dynamic learning effect by modeling the trip mode choice behavior from a new perspective of dynamic evolutionary game theory. We explore the behavior pattern of different types of commuters and study the evolution path and equilibrium properties under different traffic conditions. We further establish a dynamic parking charge optimal control (referred to as DPCOC) model to alter commuters' trip mode choice while minimizing the total social cost. Numerical tests show. (1) Under fixed parking fee policy, the evolutionary results are completely decided by the travel time and the only method for public transit induction is to increase the parking charge price. (2) Compared with fixed parking fee policy, DPCOC policy proposed in this research has several advantages. Firstly, it can effectively turn the evolutionary path and evolutionary stable strategy to a better situation while minimizing the total social cost. Secondly, it can reduce the sensitivity of trip mode choice behavior to traffic congestion and improve the ability to resist interferences and emergencies. Thirdly, it is able to control the private car proportion to a stable state and make the trip behavior more predictable for the transportation management department. The research results can provide theoretical basis and decision-making references for commuters' mode choice prediction, dynamic setting of urban parking charge prices and public transit induction.

Prosthetic Rehabilitation of Mandibular Defects with Fixed-removable Partial Denture Prosthesis Using Precision Attachment: A Twin Case Report

PubMed Central

Munot, Vimal Kantilal; Nayakar, Ramesh P.; Patil, Raghunath

2017-01-01

The restoration of normal function and esthetic appearance with a dental prosthesis is a major challenge in the rehabilitation of patients who have lost their teeth and surrounding bone because of surgery for oral cyst or tumor. Rehabilitation with fixed or removable prosthesis is even more challenging when the edentulous span is long and the ridge is defective. Anatomic deformities and unfavorable biomechanics encountered in the region of resection add to the misery. In such situation, a fixed-removable prosthesis allows favorable biomechanical stress distribution along with restoration of esthetics, phonetics, comfort, hygiene, and better postoperative care and maintenance. This article describes rehabilitation of two cases with mandibular defects with an attachment-retained fixed-removable hybrid prosthesis. PMID:29042738

STS-26 crew trains in JSC fixed-based (FB) shuttle mission simulator (SMS)

NASA Technical Reports Server (NTRS)

1987-01-01

STS-26 Discovery, Orbiter Vehicle (OV) 103, Commander Frederick H. Hauck (left) and Pilot Richard O. Covey train in JSC fixed-based (FB) shuttle mission simulator (SMS) located in the Mission Simulation and Training Facility Bldg 5. On FB-SMS flight deck, Hauck and Covey man their respective stations. Mission Specialist (MS) David C. Hilmers is partially visible in the foreground. A simulation for their anticipated June 1988 flight began 10-20-87.

High-resolution MR imaging for dental impressions: a feasibility study.

PubMed

Boldt, Julian; Rottner, Kurt; Schmitter, Marc; Hopfgartner, Andreas; Jakob, Peter; Richter, Ernst-Jürgen; Tymofiyeva, Olga

2018-04-01

Magnetic resonance imaging is an emerging technology in dental medicine. While low-resolution MRI has especially provided means to examine the temporomandibular joint due to its anatomic inaccessibility, it was the goal of this study to assess whether high-resolution MRI is capable of delivering a dataset sufficiently precise enough to serve as digital impression of human teeth. An informed and consenting patient in need of dental restoration with fixed partial dentures was chosen as subject. Two prepared teeth were measured using MRI and the dataset subjected to mathematical processing before Fourier transformation. After reconstruction, a 3D file was generated which was fed into an existing industry standard CAD/CAM process. A framework for a fixed dental prosthesis was digitally modeled and manufactured by laser-sintering. The fit in situ was found to be acceptable by current clinical standards, which allowed permanent placement of the fixed prosthesis. Using a clinical whole-body MR scanner with the addition of custom add-on hardware, contrast enhancement, and data post-processing, resolution and signal-to-noise ratio were sufficiently achieved to allow fabrication of a dental restoration in an acquisition time comparable to the setting time of common dental impression materials. Furthermore, the measurement was well tolerated. The herein described method can be regarded as proof of principle that MRI is a promising option for digital impressions when fixed partial dentures are required.

The largest survivorship and clinical outcomes study of the fixed bearing Stryker Triathlon Partial Knee Replacement - A multi-surgeon, single centre cohort study with a minimum of two years of follow-up.

PubMed

Middleton, S W F; Schranz, P J; Mandalia, V I; Toms, A D

2018-05-03

The surgical management of isolated medial compartment degenerative disease of the knee causes debate. Unicompartmental arthroplasty options include fixed and mobile bearing implant designs with fixed bearing becoming increasingly popular. We present the largest cohort of a fixed bearing single radius design, Stryker Triathlon Partial Knee Replacement (PKR). We prospectively collected demographic data and patient reported outcome measures (PROMs) on our cohort of PKR implants since its adoption in our unit, 2009 until March 2015. A total of 129 implants in 115 patients with a mean follow-up of 5.5 years (2.5 to 8.5 years) were included. There were 11 revisions at an average of 1.7 years (0.6-4.1 years), two for infection, two for mal-alignment, five for progression of disease and two for loosening. The survivorship of the implants at five years is 90%. The PKR provides good survivorship at five years and PROM scores that are equal to the largest and most popular comparable implants. There is an associated learning curve with this implant, as there is with all systems and this is reflected in our results. Crown Copyright © 2018. Published by Elsevier B.V. All rights reserved.

Hamiltonian surface charges using external sources

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

Troessaert, Cédric, E-mail: troessaert@cecs.cl

2016-05-15

In this work, we interpret part of the boundary conditions as external sources in order to partially solve the integrability problem present in the computation of surface charges associated to gauge symmetries in the hamiltonian formalism. We start by describing the hamiltonian structure of external symmetries preserving the action up to a transformation of the external sources of the theory. We then extend these results to the computation of surface charges for field theories with non-trivial boundary conditions.

Accuracy of free energies of hydration using CM1 and CM3 atomic charges.

PubMed

Udier-Blagović, Marina; Morales De Tirado, Patricia; Pearlman, Shoshannah A; Jorgensen, William L

2004-08-01

Absolute free energies of hydration (DeltaGhyd) have been computed for 25 diverse organic molecules using partial atomic charges derived from AM1 and PM3 wave functions via the CM1 and CM3 procedures of Cramer, Truhlar, and coworkers. Comparisons are made with results using charges fit to the electrostatic potential surface (EPS) from ab initio 6-31G* wave functions and from the OPLS-AA force field. OPLS Lennard-Jones parameters for the organic molecules were used together with the TIP4P water model in Monte Carlo simulations with free energy perturbation theory. Absolute free energies of hydration were computed for OPLS united-atom and all-atom methane by annihilating the solutes in water and in the gas phase, and absolute DeltaGhyd values for all other molecules were computed via transformation to one of these references. Optimal charge scaling factors were determined by minimizing the unsigned average error between experimental and calculated hydration free energies. The PM3-based charge models do not lead to lower average errors than obtained with the EPS charges for the subset of 13 molecules in the original study. However, improvement is obtained by scaling the CM1A partial charges by 1.14 and the CM3A charges by 1.15, which leads to average errors of 1.0 and 1.1 kcal/mol for the full set of 25 molecules. The scaled CM1A charges also yield the best results for the hydration of amides including the E/Z free-energy difference for N-methylacetamide in water. Copyright 2004 Wiley Periodicals, Inc.

Partial oxidation of step-bound water leads to anomalous pH effects on metal electrode step-edges

DOE PAGES

Schwarz, Kathleen; Xu, Bingjun; Yan, Yushan; ...

2016-05-26

The design of better heterogeneous catalysts for applications such as fuel cells and electrolyzers requires a mechanistic understanding of electrocatalytic reactions and the dependence of their activity on operating conditions such as pH. A satisfactory explanation for the unexpected pH dependence of electrochemical properties of platinum surfaces has so far remained elusive, with previous explanations resorting to complex co-adsorption of multiple species and resulting in limited predictive power. This knowledge gap suggests that the fundamental properties of these catalysts are not yet understood, limiting systematic improvement. In this paper, we analyze the change in charge and free energies upon adsorptionmore » using density-functional theory (DFT) to establish that water adsorbs on platinum step edges across a wide voltage range, including the double-layer region, with a loss of approximately 0.2 electrons upon adsorption. We show how this as-yet unreported change in net surface charge due to this water explains the anomalous pH variations of the hydrogen underpotential deposition (H upd) and the potentials of zero total charge (PZTC) observed in published experimental data. This partial oxidation of water is not limited to platinum metal step edges, and we report the charge of the water on metal step edges of commonly used catalytic metals, including copper, silver, iridium, and palladium, illustrating that this partial oxidation of water broadly influences the reactivity of metal electrodes.« less

Surface Complexation Modeling of Calcite Zeta Potential Measurement in Mixed Brines for Carbonate Wettability Characterization

NASA Astrophysics Data System (ADS)

Song, J.; Zeng, Y.; Biswal, S. L.; Hirasaki, G. J.

2017-12-01

We presents zeta potential measurements and surface complexation modeling (SCM) of synthetic calcite in various conditions. The systematic zeta potential measurement and the proposed SCM provide insight into the role of four potential determining cations (Mg2+, SO42- , Ca2+ and CO32-) and CO2 partial pressure in calcite surface charge formation and facilitate the revealing of calcite wettability alteration induced by brines with designed ionic composition ("smart water"). Brines with varying potential determining ions (PDI) concentration in two different CO2 partial pressure (PCO2) are investigated in experiments. Then, a double layer SCM is developed to model the zeta potential measurements. Moreover, we propose a definition for contribution of charged surface species and quantitatively analyze the variation of charged species contribution when changing brine composition. After showing our model can accurately predict calcite zeta potential in brines containing mixed PDIs, we apply it to predict zeta potential in ultra-low and pressurized CO2 environments for potential applications in carbonate enhanced oil recovery including miscible CO2 flooding and CO2 sequestration in carbonate reservoirs. Model prediction reveals that pure calcite surface will be positively charged in all investigated brines in pressurized CO2 environment (>1atm). Moreover, the sensitivity of calcite zeta potential to CO2 partial pressure in the various brine is found to be in the sequence of Na2CO3 > Na2SO4 > NaCl > MgCl2 > CaCl2 (Ionic strength=0.1M).

Production cost analysis of Euphorbia lathyris. Final report

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

Mendel, D.A.; Schooley, F.A.; Dickenson, R.L.

1979-08-01

The purpose of SRI's study was to estimate the costs of producing Euphorbia in commercial quantities in five regions of the United States, which include both irrigated and nonirrigated areas. The study assumed that a uniform crop yield could be achieved in the five regions by varying the quantities of production inputs. Therefore, the production costs estimates, which are based on fourth quarter 1978 dollars, include both fixed and variable costs for each region. Doane's Machinery Custom Rates for 1978 were used to estimate all variable costs except materials, which were estimated separately. Custom rates are determined by members ofmore » the Doane Countywide Farm Panel, a group of farmers specifically selected to represent the various sizes and types of commercial farms found throughout the country. The rates reported are the most recent rates the panel members had either paid, charged, or known for certain a second party had paid or charged. Custom rates for any particular operation include equipment operating costs (fuel, lubrication, and repairs), equipment ownership costs (depreciation, taxes, interest), as well as a labor charge for the operator. Custom rates are regionally specific and thereby assist the accuracy of this analysis. Fixed costs include land, management, and transportation of the plant material to a conversion facility. When appropriate, fixed costs were regionally specific. Changes in total production costs over future time periods were not addressed. The total estimated production costs of Euphorbia in each region were compared with production costs for corn and alfalfa in the same regions. Finally, the effects on yield and costs of changes in the production inputs were estimated.« less

Advances in Nonlinear Non-Scaling FFAGs

NASA Astrophysics Data System (ADS)

Johnstone, C.; Berz, M.; Makino, K.; Koscielniak, S.; Snopok, P.

Accelerators are playing increasingly important roles in basic science, technology, and medicine. Ultra high-intensity and high-energy (GeV) proton drivers are a critical technology for accelerator-driven sub-critical reactors (ADS) and many HEP programs (Muon Collider) but remain particularly challenging, encountering duty cycle and space-charge limits in the synchrotron and machine size concerns in the weaker-focusing cyclotrons; a 10-20 MW proton driver is not presently considered technically achievable with conventional re-circulating accelerators. One, as-yet, unexplored re-circulating accelerator, the Fixed-field Alternating Gradient or FFAG, is an attractive alternative to the other approaches to a high-power beam source. Its strong focusing optics can mitigate space charge effects and achieve higher bunch charges than are possible in a cyclotron, and a recent innovation in design has coupled stable tunes with isochronous orbits, making the FFAG capable of fixed-frequency, CW acceleration, as in the classical cyclotron but beyond their energy reach, well into the relativistic regime. This new concept has been advanced in non-scaling nonlinear FFAGs using powerful new methodologies developed for FFAG accelerator design and simulation. The machine described here has the high average current advantage and duty cycle of the cyclotron (without using broadband RF frequencies) in combination with the strong focusing, smaller losses, and energy variability that are more typical of the synchrotron. The current industrial and medical standard is a cyclotron, but a competing CW FFAG could promote a shift in this baseline. This paper reports on these new advances in FFAG accelerator technology and presents advanced modeling tools for fixed-field accelerators unique to the code COSY INFINITY.1

Extracting dielectric fixed charge density on highly doped crystalline-silicon surfaces using photoconductance measurements

NASA Astrophysics Data System (ADS)

To, A.; Hoex, B.

2017-11-01

A novel method for the extraction of fixed interface charge, Qf, and the surface recombination parameters, Sn0 and Sp0, from the injection-level dependent effective minority carrier lifetime measurements is presented. Unlike conventional capacitance-voltage measurements, this technique can be applied to highly doped surfaces provided the surface carrier concentration transitions into strong depletion or inversion with increased carrier injection. By simulating the injection level dependent Auger-corrected inverse lifetime curve of symmetrically passivated and diffused samples after sequential annealing and corona charging, it was revealed that Qf, Sn0, and Sp0 have unique signatures. Therefore, these important electronic parameters, in some instances, can independently be resolved. Furthermore, it was shown that this non-linear lifetime behaviour is exhibited on both p-type and n-type diffused inverted surfaces, by demonstrating the approach with phosphorous diffused n+pn+ structures and boron diffused p+np+ structures passivated with aluminium oxide (AlOx) and silicon nitride, respectively (SiNx). The results show that the approximation of a mid-gap Shockley-Read-Hall defect level with equal capture cross sections is able to, in the samples studied in this work, reproduce the observed injection level dependent lifetime behaviour.

The entrance channel effects on the deexcitation ways of the same compound nucleus at a fixed excitation energy

NASA Astrophysics Data System (ADS)

Anastasi, A.; Mandaglio, G.; Curciarello, F.; Nasirov, A. K.; Fazio, G.; Giardina, G.

2018-05-01

The investigation of various properties of deexcitation of the same 220Th compound nucleus (CN), formed by the different mass (charge) asymmetric 16O+204Pb, 40Ar+180Hf, 82Se+138Ba and 96Zr+124Sn reactions is presented. The effective fission barrier < B fis > value, as a function of the excitation energy {E}CN* , determined for each intermediate excited nucleus reached along the deexcitation cascade of the CN obtained by the four considered reactions is strongly sensitive to the various orbital angular momentum L=ℓℏ distributions of CN formed with the same excitation energy {E}CN* by the various entrance channels. Therefore, the competition between the fission and evaporation of light particles (neutron, proton, and α-particle) processes along the deexcitation cascade of CN is dependent on the orbital angular momentum distribution of CN. In fact, the ratio between the evaporation residue cross sections obtained when also the charged particles are emitted and the ones obtained after neutron emission only for the same CN with a fixed excitation energy {E}CN* is sensitive to the mass (charge) asymmetry of the entrance channel.

Drude-type conductivity of charged sphere colloidal crystals: Density and temperature dependence

NASA Astrophysics Data System (ADS)

Medebach, Martin; Jordán, Raquel Chuliá; Reiber, Holger; Schöpe, Hans-Joachim; Biehl, Ralf; Evers, Martin; Hessinger, Dirk; Olah, Julianna; Palberg, Thomas; Schönberger, Ernest; Wette, Patrick

2005-09-01

We report on extensive measurements in the low-frequency limit of the ac conductivity of colloidal fluids and crystals formed from charged colloidal spheres suspended in de-ionized water. Temperature was varied in a range of 5°C<Θ<35°C and the particle number density n between 0.2 and 25μm-3 for the larger, respectively, 2.75 and 210μm-3 for the smaller of two investigated species. At fixed Θ the conductivity increased linearly with increasing n without any significant change at the fluid-solid phase boundary. At fixed n it increased with increasing Θ and the increase was more pronounced for larger n. Lacking a rigorous electrohydrodynamic treatment for counterion-dominated systems we describe our data with a simple model relating to Drude's theory of metal conductivity. The key parameter is an effectively transported particle charge or valence Z*. All temperature dependencies other than that of Z* were taken from literature. Within experimental resolution Z* was found to be independent of n irrespective of the suspension structure. Interestingly, Z* decreases with temperature in near quantitative agreement with numerical calculations.

Asymptotic charges cannot be measured in finite time

DOE PAGES

Bousso, Raphael; Chandrasekaran, Venkatesa; Halpern, Illan F.; ...

2018-02-28

To study quantum gravity in asymptotically flat spacetimes, one would like to understand the algebra of observables at null infinity. Here we show that the Bondi mass cannot be observed in finite retarded time, and so is not contained in the algebra on any finite portion of I +. This follows immediately from recently discovered asymptotic entropy bounds. We verify this explicitly, and we find that attempts to measure a conserved charge at arbitrarily large radius in fixed retarded time are thwarted by quantum fluctuations. We comment on the implications of our results to flat space holography and the BMSmore » charges at I +.« less

Asymptotic charges cannot be measured in finite time

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

Bousso, Raphael; Chandrasekaran, Venkatesa; Halpern, Illan F.

To study quantum gravity in asymptotically flat spacetimes, one would like to understand the algebra of observables at null infinity. Here we show that the Bondi mass cannot be observed in finite retarded time, and so is not contained in the algebra on any finite portion of I +. This follows immediately from recently discovered asymptotic entropy bounds. We verify this explicitly, and we find that attempts to measure a conserved charge at arbitrarily large radius in fixed retarded time are thwarted by quantum fluctuations. We comment on the implications of our results to flat space holography and the BMSmore » charges at I +.« less

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

Dempsey, Adam B.; Curran, Scott; Wagner, Robert M.

Gasoline compression ignition concepts with the majority of the fuel being introduced early in the cycle are known as partially premixed combustion (PPC). Previous research on single- and multi-cylinder engines has shown that PPC has the potential for high thermal efficiency with low NOx and soot emissions. A variety of fuel injection strategies has been proposed in the literature. These injection strategies aim to create a partially stratified charge to simultaneously reduce NOx and soot emissions while maintaining some level of control over the combustion process through the fuel delivery system. The impact of the direct injection strategy to createmore » a premixed charge of fuel and air has not previously been explored, and its impact on engine efficiency and emissions is not well understood. This paper explores the effect of sweeping the direct injected pilot timing from -91° to -324° ATDC, which is just after the exhaust valve closes for the engine used in this study. During the sweep, the pilot injection consistently contained 65% of the total fuel (based on command duration ratio), and the main injection timing was adjusted slightly to maintain combustion phasing near top dead center. A modern four cylinder, 1.9 L diesel engine with a variable geometry turbocharger, high pressure common rail injection system, wide included angle injectors, and variable swirl actuation was used in this study. The pistons were modified to an open bowl configuration suitable for highly premixed combustion modes. The stock diesel injection system was unmodified, and the gasoline fuel was doped with a lubricity additive to protect the high pressure fuel pump and the injectors. The study was conducted at a fixed speed/load condition of 2000 rpm and 4.0 bar brake mean effective pressure (BMEP). The pilot injection timing sweep was conducted at different intake manifold pressures, swirl levels, and fuel injection GTP-15-1067, Dempsey 2 pressures. The gasoline used in this study has relatively high fuel reactivity with a research octane number of 68. The results of this experimental campaign indicate that the highest brake thermal efficiency and lowest emissions are achieved simultaneously with the earliest pilot injection timings (i.e., during the intake stroke).« less

Achieving an esthetic smile with fixed and removal prosthesis using extracoronal castable precision attachments

PubMed Central

Vaidya, Sharad; Kapoor, Charu; Bakshi, Yujika; Bhalla, Sonam

2015-01-01

Satisfactory restoration in a patient with a partially edentulous situation can be challenging especially when unilateral or bilateral posterior segment of teeth is missing. Successful restoration can be done with various conventional and contemporary treatment options. One such treatment modality is attachment-retained cast partial dentures. A key to success for an attachment retained cast partial denture is the strategic selection of teeth for retention. This clinical report discusses rehabilitation of a patient with the help of a combined prosthesis in the upper arch and stud retained overdenture in the lower arch. PMID:26929527

Propagation of partially coherent vector anomalous vortex beam in turbulent atmosphere

NASA Astrophysics Data System (ADS)

Zhang, Xu; Wang, Haiyan; Tang, Lei

2018-01-01

A theoretical model is proposed to describe a partially coherent vector anomalous vortex(AV) beam. Based on the extended Huygens-Fresnel principle, analytical propagation formula for the proposed beams in turbulent atmosphere is derived. The spectral properties of the partially coherent vector AV beam are explored by using the unified theory of coherence and polarization in detail. It is interesting to find that the turbulence of atmosphere and the source parameter of the partially coherent vector AV beam( order, topological charge, coherence length, beam waist size etc) have significantly impacted the propagation properties of the partially coherent vector AV beam in turbulent atmosphere.

Charging rates of metal-dielectric structures. [with implications for spacecraft

NASA Technical Reports Server (NTRS)

Purvis, C. K.; Staskus, J. V.; Roche, J. C.; Berkopec, F. D.

1979-01-01

Metal plates partially covered by 0.01-centimeter-thick fluorinated ethylene-propylene (FEP) Teflon were charged in the Lewis Research Center's geomagnetic substorm simulation facility using 5-, 8-, 10-, and 12-kilovolt electron beams. Surface voltage as a function of time was measured for various initial conditions (Teflon discharged or precharged) with the metal plate grounded or floating. Results indicate that both the charging rates and the levels to which the samples become charged are influenced by the geometry and initial charge state of the insulating surfaces. The experiments are described and the results are presented and discussed. NASA charging analyzer program (NASCAP) models of the experiments have been generated, and the predictions obtained are described. Implications of the study results for spacecraft are discussed.

Fixed Junction Light Emitting Electrochemical Cells based on Polymerizable Ionic Liquids

NASA Astrophysics Data System (ADS)

Brown, Erin; Limanek, Austin; Bauman, James; Leger, Janelle

Organic photovoltaic (OPV) devices are of interest due to ease of fabrication, which increases their cost-effectiveness. OPV devices based on fixed-junction light emitting electrochemical cells (LECs) in particular have shown promising results. LECs are composed of a layer of polymer semiconductor blended with a salt sandwiched between two electrodes. As a forward bias is applied, the ions within the polymer separate, migrate to the electrodes, and enable electrochemical doping, thereby creating a p-n junction analog. In a fixed junction device, the ions are immobilized after the desired distribution has been established, allowing for operation under reverse bias conditions. Fixed junctions can be established using various techniques, including chemically by mixing polymerizable salts that will bond to the polymer under a forward bias. Previously we have demonstrated the use of the polymerizable ionic liquid allyltrioctylammonium allysulfonate (ATOAAS) as an effective means of creating a chemically fixed junction in an LEC. Here we present the application of this approach to the creation of photovoltaic devices. Devices demonstrate higher open circuit voltages, faster charging, and an overall improved device performance over previous chemically-fixed junction PV devices.

Optical patterning of trapped charge in nitrogen-doped diamond

NASA Astrophysics Data System (ADS)

Dhomkar, Siddharth; Jayakumar, Harishankar; Pagliero, Daniela; Laraoui, Abdelghani; Albu, Remus; Manson, Neil; Doherty, Marcus; Henshaw, Jacob; Meriles, Carlos

The nitrogen-vacancy (NV) center in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge state, which can be attained by optical illumination. Here we use two-color optical microscopy to investigate the dynamics of NV photo-ionization, charge diffusion, and trapping in type-1b diamond. We combine fixed-point laser excitation and scanning fluorescence imaging to locally alter the concentration of negatively charged NVs and to subsequently probe the corresponding redistribution of charge. We uncover the formation of various spatial patterns of trapped charge, which we semi-quantitatively reproduce via a model of the interplay between photo-excited carriers and atomic defects in the diamond lattice. Further, by using the NV as a local probe, we map the relative fraction of positively charged nitrogen upon localized optical excitation. These observations may prove important to various technologies, including the transport of quantum information between remote NVs and the development of three-dimensional, charge-based memories. We acknowledge support from the National Science Foundation through Grant NSF-1314205.

Assessing Ion-Water Interactions in the AMOEBA Force Field Using Energy Decomposition Analysis of Electronic Structure Calculations.

PubMed

Mao, Yuezhi; Demerdash, Omar; Head-Gordon, Martin; Head-Gordon, Teresa

2016-11-08

AMOEBA is a molecular mechanics force field that addresses some of the shortcomings of a fixed partial charge model, by including permanent atomic point multipoles through quadrupoles, as well as many-body polarization through the use of point inducible dipoles. In this work, we investigate how well AMOEBA formulates its non-bonded interactions, and how it implicitly incorporates quantum mechanical effects such as charge penetration (CP) and charge transfer (CT), for water-water and water-ion interactions. We find that AMOEBA's total interaction energies, as a function of distance and over angular scans for the water dimer and for a range of water-monovalent cations, agree well with an advanced density functional theory (DFT) model, whereas the water-halides and water-divalent cations show significant disagreement with the DFT result, especially in the compressed region when the two fragments overlap. We use a second-generation energy decomposition analysis (EDA) scheme based on absolutely localized molecular orbitals (ALMOs) to show that in the best cases AMOEBA relies on cancellation of errors by softening of the van der Waals (vdW) wall to balance permanent electrostatics that are too unfavorable, thereby compensating for the missing CP effect. CT, as another important stabilizing effect not explicitly taken into account in AMOEBA, is also found to be incorporated by the softened vdW interaction. For the water-halides and water-divalent cations, this compensatory approach is not as well executed by AMOEBA over all distances and angles, wherein permanent electrostatics remains too unfavorable and polarization is overdamped in the former while overestimated in the latter. We conclude that the DFT-based EDA approach can help refine a next-generation AMOEBA model that either realizes a better cancellation of errors for problematic cases like those illustrated here, or serves to guide the parametrization of explicit functional forms for short-range contributions from CP and/or CT.

Closed-form expressions for state-to-state charge-transfer differential cross sections in a modified Faddeev three-body approach

NASA Astrophysics Data System (ADS)

Adivi, E. Ghanbari; Brunger, M. J.; Bolorizadeh, M. A.; Campbell, L.

2007-02-01

The second-order Faddeev-Watson-Lovelace approximation in a modified form is applied to charge transfer from hydrogenlike target atoms by a fully stripped energetic projectile ion. The state-to-state, nlm→n'l'm' , partial transition amplitudes are calculated analytically. The method is specifically applied to the collision of protons with hydrogen atoms, where differential cross sections of different transitions are calculated for incident energies of 2.8 and 5.0MeV . It is shown that the Thomas peak is present in all transition cross sections. The partial cross sections are then summed and compared with the available forward-angle experimental data, showing good agreement.

Two-parameter partially correlated ground-state electron density of some light spherical atoms from Hartree-Fock theory with nonintegral nuclear charge

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

Cordero, Nicolas A.; March, Norman H.; Alonso, Julio A.

2007-05-15

Partially correlated ground-state electron densities for some spherical light atoms are calculated, into which nonrelativistic ionization potentials represent essential input data. The nuclear cusp condition of Kato is satisfied precisely. The basic theoretical starting point, however, is Hartree-Fock (HF) theory for the N electrons under consideration but with nonintegral nuclear charge Z{sup '} slightly different from the atomic number Z (=N). This HF density is scaled with a parameter {lambda}, near to unity, to preserve normalization. Finally, some tests are performed on the densities for the atoms Ne and Ar, as well as for Be and Mg.

BFV-BRST analysis of equivalence between noncommutative and ordinary gauge theories

NASA Astrophysics Data System (ADS)

Dayi, O. F.

2000-05-01

Constrained hamiltonian structure of noncommutative gauge theory for the gauge group /U(1) is discussed. Constraints are shown to be first class, although, they do not give an Abelian algebra in terms of Poisson brackets. The related BFV-BRST charge gives a vanishing generalized Poisson bracket by itself due to the associativity of /*-product. Equivalence of noncommutative and ordinary gauge theories is formulated in generalized phase space by using BFV-BRST charge and a solution is obtained. Gauge fixing is discussed.

The strange sea density and charm production in deep inelastic charged current processes

NASA Astrophysics Data System (ADS)

Glück, M.; Kretzer, S.; Reya, E.

1996-02-01

Charm production as related to the determination of the strange sea density in deep inelastic charged current processes is studied predominantly in the framework of the overlineMS fixed flavor factorization scheme. Perturbative stability within this formalism is demonstrated. The compatibility of recent next-to-leading order strange quark distributions with the available dimuon and F2νN data is investigated. It is shown that final conclusions concerning these distributions afford further analyses of presently available and/or forthcoming neutrino data.

Space charge effects on the third order coupled resonance

NASA Astrophysics Data System (ADS)

Franchetti, Giuliano; Gilardoni, Simone; Huschauer, Alexander; Schmidt, Frank; Wasef, Raymond

2017-08-01

The effect of space charge on bunched beams has been the subject of numerous numerical and experimental studies in the first decade of 2000. Experimental campaigns performed at the CERN Proton Synchrotron in 2002 and at the GSI SIS18 in 2008 confirmed the existence of an underlying mechanism in the beam dynamics of periodic resonance crossing induced by the synchrotron motion and space charge. In this article we present an extension of the previous studies to describe the effect of space charge on a controlled coupled (2D) third order resonance. The experimental and simulation results of this latest campaign shed a new light on the difficulties of the 2D particle dynamics. We find striking experimental evidence that space charge and the coupled resonance create an unusual coupling in the phase space, leading to the formation of an asymmetric halo. Moreover, this study demonstrates a clear link between halo formation and fixed-lines.

Self-consistent simulation of radio frequency multipactor on micro-grooved dielectric surface

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

Cai, Libing; Wang, Jianguo, E-mail: wanguiuc@mail.xjtu.edu.cn; Northwest Institute of Nuclear Technology, Xi'an, Shaanxi 710024

2015-02-07

The multipactor plays a key role in the surface breakdown on the feed dielectric window irradiated by high power microwave. To study the suppression of multipactor, a 2D electrostatic PIC-MCC simulation code was developed. The space charge field, including surface deposited charge and multipactor electron charge field, is obtained by solving 2D Poisson's equation in time. Therefore, the simulation is self-consistent and does not require presetting a fixed space charge field. By using this code, the self-consistent simulation of the RF multipactor on the periodic micro-grooved dielectric surface is realized. The 2D space distributions of the multipactor electrons and spacemore » charge field are presented. From the simulation results, it can be found that only half slopes have multipactor discharge when the slope angle exceeds a certain value, and the groove presents a pronounced suppression effect on the multipactor.« less

Study Trapped Charge Distribution in P-Channel Silicon-Oxide-Nitride-Oxide-Silicon Memory Device Using Dynamic Programming Scheme

NASA Astrophysics Data System (ADS)

Li, Fu-Hai; Chiu, Yung-Yueh; Lee, Yen-Hui; Chang, Ru-Wei; Yang, Bo-Jun; Sun, Wein-Town; Lee, Eric; Kuo, Chao-Wei; Shirota, Riichiro

2013-04-01

In this study, we precisely investigate the charge distribution in SiN layer by dynamic programming of channel hot hole induced hot electron injection (CHHIHE) in p-channel silicon-oxide-nitride-oxide-silicon (SONOS) memory device. In the dynamic programming scheme, gate voltage is increased as a staircase with fixed step amplitude, which can prohibits the injection of holes in SiN layer. Three-dimensional device simulation is calibrated and is compared with the measured programming characteristics. It is found, for the first time, that the hot electron injection point quickly traverses from drain to source side synchronizing to the expansion of charged area in SiN layer. As a result, the injected charges quickly spread over on the almost whole channel area uniformly during a short programming period, which will afford large tolerance against lateral trapped charge diffusion by baking.

[Fiber-reinforced composite in fixed prosthodontics].

PubMed

Pilo, R; Abu Rass, Z; Shmidt, A

2010-07-01

Fiber reinforced composite (FRC) is composed of resin matrix and fibers filler. Common types of fibers: polyethylene, carbon and glass. Fibers can be continuous and aligned, discontinuous and aligned, discontinuous and randomly oriented. The architecture of the fibers is unidirectional, woven or braided. The two main types are: dry fibers or impregnated. Inclusion of fibers to resin composite increased its average flexural strength in 100-200 MPa. FRC can be utilized by the dentist in direct approach (splinting, temporary winged bridge) or indirect approach (laboratory made fixed partial denture). Laboratory fixed partial denture (FPD) is made from FRC substructure and Hybrid/Microfill particulate composite veneer. Main indications: interim temporary FPD or FPD in cases of questionable abutment teeth, in aesthetic cases where All Ceram FPD is not feasible. Retention is attained by adhesive cementation to minimally prepared teeth or to conventionally prepared teeth; other options are inlay-onlay bridges or hybrid bridges. Contraindications are: poor hygiene, inability to control humidity, parafunction habits, and more than two pontics. Survival rate of FRC FPD over 5 years is 75%, lower compared to porcelain fused to metal FPD which is 95%. Main reasons for failure are: fracture of framework and delamination of the veneer. Part of the failures is repairable.

Design of Complete Dentures by Adopting CAD Developed for Fixed Prostheses.

PubMed

Li, Yanfeng; Han, Weili; Cao, Jing; Iv, Yuan; Zhang, Yue; Han, Yishi; Shen, Yi; Ma, Zheng; Liu, Huanyue

2018-02-01

The demand for complete dentures is expected to increase worldwide, but complete dentures are mainly designed and fabricated manually involving a broad series of clinical and laboratory procedures. Therefore, the quality of complete dentures largely depends on the skills of the dentist and technician, leading to difficulty in quality control. Computer-aided design and manufacturing (CAD/CAM) has been used to design and fabricate various dental restorations including dental inlays, veneers, crowns, partial crowns, and fixed partial dentures (FPDs). It has been envisioned that the application of CAD/CAM technology could reduce intensive clinical/laboratory work for the fabrication of complete dentures; however, CAD/CAM is seldom used to fabricate complete dentures due to the lack of suitable CAD software to design virtual complete dentures although the CAM techniques are in a much advanced stage. Here we report the successful design of virtual complete dentures using CAD software of 3Shape Dental System 2012, which was developed for designing fixed prostheses instead of complete dentures. Our results demonstrated that complete dentures could be successfully designed by the combination of two modeling processes, single coping and full anatomical FPD, available in the 3Shape Dental System 2012. © 2016 by the American College of Prosthodontists.

A Treatment Protocol for Restoring Occlusal Vertical Dimension Using an Overlay Removable Partial Denture as an Alternative to Extensive Fixed Restorations: A Clinical Report

PubMed Central

Patel, Mit B; Bencharit, Sompop

2009-01-01

Treatment options for patients with severe attrition resulting in reduced occlusal vertical dimension are often limited to fixed prosthesis to reestablish proper occlusal vertical dimension and functional occlusion. In some cases such as when there are limited finances, minimal esthetic concerns, and medical considerations fixed prosthesis may not be the ideal treatment option. Overlay removable partial dentures (ORPDs) can be used as a provisional or interim prosthesis as well as permanent prosthesis in these cases. While ORPDs can provide a reversible and relatively inexpensive treatment for patients with a significantly compromised dental status, there is not much scientific evidence in the literature on ORPDs. Most studies published on ORPDs to date are primarily reviews and clinical reports. In this article, literatures on ORPDs are summarized and a patient treated with interim and permanent ORPDs is presented. This article reviews previously published literatures on the use of ORPDs. Indications, advantages and disadvantages are discussed. Treatment protocol with an example of the prosthodontic treatment of a patient with severely worn dentition with an interim ORPD and later a permanent ORPD are discussed in details. PMID:19915723

Ion charge state distribution effects on elastic X-ray Thomson scattering

NASA Astrophysics Data System (ADS)

Iglesias, Carlos A.

2018-03-01

Analytic models commonly applied in elastic X-ray Thomson scattering cross-section calculations are used to generate results from a discrete ion charge distribution and an average charge description. Comparisons show that interchanging the order of the averaging procedure can appreciably alter the cross-section, especially for plasmas with partially filled K-shell bound electrons. In addition, two common approximations to describe the free electron density around an ion are shown to yield significantly different elastic X-ray Thomson scattering cross-sections.

Implementation of a Battery Health Monitor and Vertical Lift Aircraft Testbed for the Application of an Electrochemisty-Based State of Charge Estimator

NASA Technical Reports Server (NTRS)

Potteiger, Timothy R.; Eure, Kenneth W.; Levenstein, David

2017-01-01

Prediction methods concerning remaining charge in lithium-ion batteries that power unmanned aerial vehicles are of critical concern for the safe fulfillment of mission objectives. In recent years, lithium-ion batteries have been the power source for both fixed wing and vertical lift electric vehicles. The purpose of this document is to describe in detail the implementation of a battery health monitor for estimating the state of charge of a lithium-ion battery and a lithium-ion polymer battery that is used to power a vertical lift aircraft test-bed. It will be demonstrated that an electro-chemistry based state of charge estimator effectively tracks battery discharge characteristics and may be employed as a useful tool in monitoring battery health.

Self-sustaining charging of identical colliding particles

NASA Astrophysics Data System (ADS)

Siu, Theo; Cotton, Jake; Mattson, Gregory; Shinbrot, Troy

2014-05-01

Recent experiments have demonstrated that identical material samples can charge one another after being brought into symmetric contact. The mechanism for this charging is not known. In this article, we use a simplified one-dimensional lattice model to analyze charging in the context of agitated particles. We find that the electric field from a single weakly polarized grain can feed back on itself by polarizing its neighbors, leading to an exponential growth in polarization. We show that, by incorporating partial neutralization between neighboring polarized particles, either uniform alignment of dipoles or complex charge and polarization waves can be produced. We reproduce a polarized state experimentally using identical colliding particles and raise several issues for future study.

25 CFR 41.3 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-04-01

... AFFAIRS, DEPARTMENT OF THE INTERIOR EDUCATION GRANTS TO TRIBALLY CONTROLLED COMMUNITY COLLEGES AND NAVAJO..., nation, pueblo, rancheria, or other organized group or community, including any Alaskan Native Village or... plant, fixed charges, and other related expenses, but not including expenditures for the acquisition or...

78 FR 71702 - Self-Regulatory Organizations; Fixed Income Clearing Corporation; Notice of Filing of Proposed...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-29

... unexpected haircut or capital charge that does not fundamentally change its risk profile), and (ii) return all or a portion of the collateral premium amount if it believes that the member's risk profile does...

Practice patterns and outcomes of open and minimally invasive partial nephrectomy since the introduction of robotic partial nephrectomy: results from the nationwide inpatient sample.

PubMed

Ghani, Khurshid R; Sukumar, Shyam; Sammon, Jesse D; Rogers, Craig G; Trinh, Quoc-Dien; Menon, Mani

2014-04-01

We determined practice patterns and perioperative outcomes of open and minimally invasive partial nephrectomy in the United States since the introduction of a robot-assisted modifier in the Nationwide Inpatient Sample. We identified all patients with nonmetastatic disease treated with open, laparoscopic or robotic partial nephrectomy in the Nationwide Inpatient Sample between October 2008 and December 2010. Utilization rates were assessed by year, patient and hospital characteristics. We evaluated the perioperative outcomes of open vs robotic and open vs laparoscopic partial nephrectomy using binary logistic regression models adjusted for patient and hospital covariates. In a weighted sample of 38,064 partial nephrectomies 66.9%, 23.9% and 9.2% of the procedures were open, robotic and laparoscopic operations, respectively. In 2010 the relative annual increase in open, robotic and laparoscopic partial nephrectomy was 7.9%, 45.4% and 6.1%, respectively. Compared to open partial nephrectomy patients treated with minimally invasive partial nephrectomy were less likely to receive blood transfusion (robotic vs laparoscopic OR 0.56, p <0.001 vs OR 0.68, p = 0.016), postoperative complication (OR 0.63, p <0.001 vs OR 0.78, p <0.009) or prolonged length of stay (OR 0.27 vs OR 0.41, each p <0.001). Only patients who underwent the robotic procedure were less likely to experience an intraoperative complication (robotic vs laparoscopic OR 0.69, p = 0.014 vs OR 0.67, p = 0.069). Excess hospital charges were higher after robotic surgery (OR 1.35, p <0.001). The dissemination of robotic surgery for partial nephrectomy in the United States has been rapid and safe. Compared to open partial nephrectomy the robotic procedure had lower odds than laparoscopic partial nephrectomy for most study outcomes except hospital charges. Robotic partial nephrectomy has now supplanted laparoscopic partial nephrectomy as the most common minimally invasive approach for partial nephrectomy. Copyright © 2014 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.

48 CFR 49.603-2 - Fixed-price contracts-partial termination.

Code of Federal Regulations, 2011 CFR

2011-10-01

... Contractor transfers, conveys, and assigns to the Government all the right, title, and interest, if any, that... relating to price reductions for defective certified cost or pricing data. (End of agreement) [48 FR 42447...

Effects of mechanical properties of adhesive resin cements on stress distribution in fiber-reinforced composite adhesive fixed partial dentures.

PubMed

Yokoyama, Daiichiro; Shinya, Akikazu; Gomi, Harunori; Vallittu, Pekka K; Shinya, Akiyoshi

2012-01-01

Using finite element analysis (FEA), this study investigated the effects of the mechanical properties of adhesive resin cements on stress distributions in fiber-reinforced resin composite (FRC) adhesive fixed partial dentures (AFPDs). Two adhesive resin cements were compared: Super-Bond C&B and Panavia Fluoro Cement. The AFPD consisted of a pontic to replace a maxillary right lateral incisor and retainers on a maxillary central incisor and canine. FRC framework was made of isotropic, continuous, unidirectional E-glass fibers. Maximum principal stresses were calculated using finite element method (FEM). Test results revealed that differences in the mechanical properties of adhesive resin cements led to different stress distributions at the cement interfaces between AFPD and abutment teeth. Clinical implication of these findings suggested that the safety and longevity of an AFPD depended on choosing an adhesive resin cement with the appropriate mechanical properties.

A simple way to intrude overerupted upper second molars with miniscrews.

PubMed

Cao, Yang; Liu, Chufeng; Wang, Chunxian; Yang, Xiaoyu; Duan, Peijia; Xu, Chenrong

2013-12-01

Various methods of using skeletal anchorage for the intrusion of overerupted maxillary molars have been reported; however, it is difficult to intrude the overerupted upper second molars because of the low bone density in the region of the tuberosity. This article illustrates a new treatment method using partial fixed edgewise appliances and miniscrews to intrude the overerupted upper second molars. The miniscrews were applied to reinforce the anchorage of the upper first molar. The intrusive force was generated by the Ni-Ti wire. The clinical results showed a significant intrusion effect without root resorption or periodontal problems. This report demonstrates that the combination of partial conventional fixed appliances with miniscrews is a simple and effective treatment option to intrude overerupted upper second molars, especially in situations where miniscrews cannot be inserted directly next to the second molar. © 2013 by the American College of Prosthodontists.

The total occlusal convergence of the abutment of a partial fixed dental prosthesis: A definition and a clinical technique for its assessment

PubMed Central

Mamoun, John S.

2013-01-01

The abutment(s) of a partial fixed dental prosthesis (PFDP) should have a minimal total occlusal convergence (TOC), also called a taper, in order to ensure adequate retention of a PFDP that will be made for the abutment(s), given the height of the abutment(s). This article reviews the concept of PFDP abutment TOC and presents an alternative definition of what TOC is, defining it as the extent to which the shape of an abutment differs from an ideal cylinder shape of an abutment. This article also reviews experimental results concerning what is the ideal TOC in degrees and explores clinical techniques of estimating the TOC of a crown abutment. The author suggests that Dentists use high magnification loupes (×6-8 magnification or greater) or a surgical operating microscope when preparing crown abutments, to facilitate creating a minimum abutment TOC. PMID:24932130

The impacts of surface polarity on the solubility of nanoparticle

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

Zhu, Jianzhuo; Su, Jiguo, E-mail: jiguosu@ysu.edu.cn; Ou, Xinwen

In order to study the dependence of water solubility and hydration behavior of nanoparticles on their surface polarity, we designed polar nanoparticles with varying surface polarity by assigning atomic partial charge to the surface of C60. The water solubility of the nanoparticle is enhanced by several orders of magnitude after the introduction of surface polarity. Nevertheless, when the atomic partial charge grows beyond a certain value (q{sub M}), the solubility continuously decreases to the level of nonpolar nanoparticle. It should be noted that such q{sub M} is comparable with atomic partial charge of a variety of functional groups. The hydrationmore » behaviors of nanoparticles were then studied to investigate the non-monotonic dependence of solubility on the surface polarity. The interaction between the polar nanoparticle and the hydration water is stronger than the nonpolar counterpart, which should facilitate the dissolution of the nanoparticles. On the other hand, the surface polarity also reduces the interaction of hydration water with the other water molecules and enhances the interaction between the nanoparticles which may hinder their dispersion. Besides, the introduction of surface polarity disturbs and even rearranges the hydration structure of nonpolar nanoparticle. Interestingly, the polar nanoparticle with less ordered hydration structure tends to have higher water solubility.« less

Concentration polarization-based nonlinear electrokinetics in porous media: induced-charge electroosmosis.

PubMed

Leinweber, Felix C; Tallarek, Ulrich

2005-11-24

We have investigated induced-charge electroosmotic flow in a fixed bed of ion-permselective glass beads by quantitative confocal laser scanning microscopy. Externally applied electrical fields induce concentration polarization (CP) in the porous medium due to coupled mass and charge transport normal to the charge-selective interfaces. These data reveal the generation of a nonequilibrium electrical double layer in the depleted CP zones and the adjoining anodic hemispheres of the (cation-selective) glass beads above a critical field strength. This initiates CP-based induced-charge electroosmosis along curved interfaces of the quasi-electroneutral macropore space between glass beads. Caused by mutual interference of resulting nonlinear flow with (flow-inducing) space charge regions, an electrohydrodynamic instability can appear locally and realize turbulent flow behavior at low Reynolds numbers. It is characterized by a local destruction of the CP zones and concomitant removal of diffusion-limited mass transfer. More efficient pore-scale lateral mixing also improves macroscopic transport, which is reflected in the significantly reduced axial dispersion of a passive tracer.

A new charge-tagged proline-based organocatalyst for mechanistic studies using electrospray mass spectrometry

PubMed Central

Willms, J Alexander; Beel, Rita; Schmidt, Martin L; Mundt, Christian

2014-01-01

Summary A new 4-hydroxy-L-proline derivative with a charged 1-ethylpyridinium-4-phenoxy substituent has been synthesized with the aim of facilitating mechanistic studies of proline-catalyzed reactions by ESI mass spectrometry. The charged residue ensures a strongly enhanced ESI response compared to neutral unmodified proline. The connection by a rigid linker fixes the position of the charge tag far away from the catalytic center in order to avoid unwanted interactions. The use of a charged catalyst leads to significantly enhanced ESI signal abundances for every catalyst-derived species which are the ones of highest interest present in a reacting solution. The new charged proline catalyst has been tested in the direct asymmetric inverse aldol reaction between aldehydes and diethyl ketomalonate. Two intermediates in accordance with the List–Houk mechanism for enamine catalysis have been detected and characterized by gas-phase fragmentation. In addition, their temporal evolution has been followed using a microreactor continuous-flow technique. PMID:25246962

Dynamical Casimir-Polder force on a partially dressed atom near a conducting wall

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

Messina, Riccardo; Vasile, Ruggero; Passante, Roberto

2010-12-15

We study the time evolution of the Casimir-Polder force acting on a neutral atom in front of a perfectly conducting plate, when the system starts its unitary evolution from a partially dressed state. We solve the Heisenberg equations for both atomic and field quantum operators, exploiting a series expansion with respect to the electric charge and an iterative technique. After discussing the behavior of the time-dependent force on an initially partially dressed atom, we analyze a possible experimental scheme to prepare the partially dressed state and the observability of this new dynamical effect.

Flight motor set 360L002 (STS-27R). Volume 5: Nozzle component

NASA Technical Reports Server (NTRS)

Meyer, S. A.

1990-01-01

A review of the performance and post-flight condition of the STS-27 Redesigned Solid Rocket Motor (RSRM) nozzles is presented. Thermal/Structural instrumentation data is reviewed, and applicable Discrepancy Reports (DRs) and Process Departures (PDs) are presented. The Nozzle Component Program Team (NCPT) performance evaluation and the Redesign Program Review Board (RPRB) assessment is included. The STS-27 nozzle assemblies were flown on the RSRM Second Flight (Space Shuttle Atlantis) on 2 December 1988. The nozzles were a partially submerged convergent and/or divergent movable design with an aft pivot point flexible bearing. The nozzle assemblies incorporated the following features: RSRM forward exit cone with snubber assembly, RSRM fixed housing, Structural backup Outer Boot Ring (OBR), RSRM cowl ring, RSRM nose inlet assembly, RSRM throat assembly, RSRM aft exit cone assembly with Linear-Shaped Charge (LSC), RTV backfill in Joints 1, 3, and 4, Use of EA913 NA adhesive in place of EA913 adhesive, Redesigned nozzle plug, and Carbon Cloth Phenolic (CCP) with 750 ppm sodium content. The CCP material usage for the STS-27 forward nozzle and aft exit cone assemblies is shown.

A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels

NASA Astrophysics Data System (ADS)

Li, Hua; Wang, Xiaogui; Yan, Guoping; Lam, K. Y.; Cheng, Sixue; Zou, Tao; Zhuo, Renxi

2005-03-01

In this paper, a novel multiphysic mathematical model is developed for simulation of swelling equilibrium of ionized temperature sensitive hydrogels with the volume phase transition, and it is termed the multi-effect-coupling thermal-stimulus (MECtherm) model. This model consists of the steady-state Nernst-Planck equation, Poisson equation and swelling equilibrium governing equation based on the Flory's mean field theory, in which two types of polymer-solvent interaction parameters, as the functions of temperature and polymer-network volume fraction, are specified with or without consideration of the hydrogen bond interaction. In order to examine the MECtherm model consisting of nonlinear partial differential equations, a meshless Hermite-Cloud method is used for numerical solution of one-dimensional swelling equilibrium of thermal-stimulus responsive hydrogels immersed in a bathing solution. The computed results are in very good agreements with experimental data for the variation of volume swelling ratio with temperature. The influences of the salt concentration and initial fixed-charge density are discussed in detail on the variations of volume swelling ratio of hydrogels, mobile ion concentrations and electric potential of both interior hydrogels and exterior bathing solution.

Particle size distribution in effluent of trickling filters and in humus tanks.

PubMed

Schubert, W; Günthert, F W

2001-11-01

Particles and aggregates from trickling filters must be eliminated from wastewater. Usually this happens through sedimentation in humus tanks. Investigations to characterize these solids by way of particle size measurements, image analysis and particle charge measurements (zeta potential) are made within the scope of Research Center for Science and Technology "Fundamentals of Aerobic biological wastewater treatment" (SFB 411). The particle size measuring results given within this report were obtained at the Ingolstadt wastewater treatment plant, Germany, which served as an example. They have been confirmed by similar results from other facilities. Particles flushed out from trickling filters will be partially destroyed on their way to the humus tank. A large amount of small particles is to be found there. On average 90% of the particles are smaller than 30 microm. Particle size plays a decisive role in the sedimentation behaviour of solids. Small particles need sedimentation times that cannot be provided in settling tanks. As a result they cause turbidity in the final effluent. Therefore quality of sewage discharge suffers, and there are hardly advantages of the fixed film reactor treatment compared to the activated sludge process regarding sedimentation behaviour.

Charge retention of soft-landed phosphotungstate Keggin anions on self-assembled monolayers

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

Gunaratne, K. Don D.; Prabhakaran, Venkateshkumar; Andersen, Amity

Soft landing of mass-selected ions onto surfaces often results in partial loss of charge that may affect the structure and reactivity of deposited species. In this study, Keggin phosphotungstate anions in two selected charge states, PW12O403- (WPOM3-) and PW12O402- (WPOM2-), were soft-landed onto different self-assembled monolayer (SAM) surfaces and examined using in situ infrared reflection absorption spectroscopy (IRRAS) and density functional theory (DFT) calculations. Partial retention of the 3- charge was observed when WPOM3- was soft-landed onto the fluorinated SAM (FSAM), while the charge state distribution was dominated by the 2- charge after both WPOM3- and WPOM2- were deposited ontomore » a hydrophilic alkylthiol SAM terminated with cationic NH3+ functional groups (NH3+SAM). We found that during the course of the soft landing of WPOM3-, the relative abundance of WPOM3- on FSAM decreased while that of WPOM2- increased. We propose that the higher stability of immobilized WPOM2- in comparison with WPOM3- makes it the preferred charge state of WPOM on both the FSAM and NH3+SAM. We also observe weaker binding of WPOM anions to SAMs in comparison with phosphomolybdate ions (MoPOM) reported previously (J. Phys. Chem. C 2014, 118, 27611–27622). The weaker binding of WPOM to SAMs is attributed to the lower reactivity of WPOM reported in the literature. This study demonstrates that both the charge retention and the reactivity of deposited anionic POM clusters on surfaces are determined by the type of addenda metal atoms in the cluster.« less

Non-linear dynamics of compound sawteeth in tokamaks

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

Ahn, J.-H., E-mail: jae-heon.ahn@polytechnique.edu; Garbet, X.; Sabot, R.

2016-05-15

Compound sawteeth is studied with the XTOR-2F code. Non-linear full 3D magnetohydrodynamic simulations show that the plasma hot core is radially displaced and rotates during the partial crash, but is not fully expelled out of the q = 1 surface. Partial crashes occur when the radius of the q = 1 surface exceeds a critical value, at fixed poloidal beta. This critical value depends on the plasma elongation. The partial crash time is larger than the collapse time of an ordinary sawtooth, likely due to a weaker diamagnetic stabilization. This suggests that partial crashes result from a competition between destabilizing effects such as themore » q = 1 radius and diamagnetic stabilization.« less

Fibronectin module FN(III)9 adsorption at contrasting solid model surfaces studied by atomistic molecular dynamics.

PubMed

Kubiak-Ossowska, Karina; Mulheran, Paul A; Nowak, Wieslaw

2014-08-21

The mechanism of human fibronectin adhesion synergy region (known as integrin binding region) in repeat 9 (FN(III)9) domain adsorption at pH 7 onto various and contrasting model surfaces has been studied using atomistic molecular dynamics simulations. We use an ionic model to mimic mica surface charge density but without a long-range electric field above the surface, a silica model with a long-range electric field similar to that found experimentally, and an Au {111} model with no partial charges or electric field. A detailed description of the adsorption processes and the contrasts between the various model surfaces is provided. In the case of our model silica surface with a long-range electrostatic field, the adsorption is rapid and primarily driven by electrostatics. Because it is negatively charged (-1e), FN(III)9 readily adsorbs to a positively charged surface. However, due to its partial charge distribution, FN(III)9 can also adsorb to the negatively charged mica model because of the absence of a long-range repulsive electric field. The protein dipole moment dictates its contrasting orientation at these surfaces, and the anchoring residues have opposite charges to the surface. Adsorption on the model Au {111} surface is possible, but less specific, and various protein regions might be involved in the interactions with the surface. Despite strongly influencing the protein mobility, adsorption at these model surfaces does not require wholesale FN(III)9 conformational changes, which suggests that the biological activity of the adsorbed protein might be preserved.

Visual enhancement of laparoscopic partial nephrectomy with 3-charge coupled device camera: assessing intraoperative tissue perfusion and vascular anatomy by visible hemoglobin spectral response.

PubMed

Crane, Nicole J; Gillern, Suzanne M; Tajkarimi, Kambiz; Levin, Ira W; Pinto, Peter A; Elster, Eric A

2010-10-01

We report the novel use of 3-charge coupled device camera technology to infer tissue oxygenation. The technique can aid surgeons to reliably differentiate vascular structures and noninvasively assess laparoscopic intraoperative changes in renal tissue perfusion during and after warm ischemia. We analyzed select digital video images from 10 laparoscopic partial nephrectomies for their individual 3-charge coupled device response. We enhanced surgical images by subtracting the red charge coupled device response from the blue response and overlaying the calculated image on the original image. Mean intensity values for regions of interest were compared and used to differentiate arterial and venous vasculature, and ischemic and nonischemic renal parenchyma. The 3-charge coupled device enhanced images clearly delineated the vessels in all cases. Arteries were indicated by an intense red color while veins were shown in blue. Differences in mean region of interest intensity values for arteries and veins were statistically significant (p >0.0001). Three-charge coupled device analysis of pre-clamp and post-clamp renal images revealed visible, dramatic color enhancement for ischemic vs nonischemic kidneys. Differences in the mean region of interest intensity values were also significant (p <0.05). We present a simple use of conventional 3-charge coupled device camera technology in a way that may provide urological surgeons with the ability to reliably distinguish vascular structures during hilar dissection, and detect and monitor changes in renal tissue perfusion during and after warm ischemia. Copyright © 2010 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.

Electrostatic interactions play an essential role in the binding of oleic acid with α-lactalbumin in the HAMLET-like complex: a study using charge-specific chemical modifications.

PubMed

Xie, Yongjing; Min, Soyoung; Harte, Níal P; Kirk, Hannah; O'Brien, John E; Voorheis, H Paul; Svanborg, Catharina; Hun Mok, K

2013-01-01

Human α-lactalbumin made lethal to tumor cells (HAMLET) and its analogs are partially unfolded protein-oleic acid (OA) complexes that exhibit selective tumoricidal activity normally absent in the native protein itself. To understand the nature of the interaction between protein and OA moieties, charge-specific chemical modifications of lysine side chains involving citraconylation, acetylation, and guanidination were employed and the biophysical and biological properties were probed. Upon converting the original positively-charged lysine residues to negatively-charged citraconyl or neutral acetyl groups, the binding of OA to protein was eliminated, as were any cytotoxic activities towards osteosarcoma cells. Retention of the positive charges by converting lysine residues to homoarginine groups (guanidination); however, yielded unchanged binding of OA to protein and identical tumoricidal activity to that displayed by the wild-type α-lactalbumin-oleic acid complex. With the addition of OA, the wild-type and guanidinated α-lactalbumin proteins underwent substantial conformational changes, such as partial unfolding, loss of tertiary structure, but retention of secondary structure. In contrast, no significant conformational changes were observed in the citraconylated and acetylated α-lactalbumins, most likely because of the absence of OA binding. These results suggest that electrostatic interactions between the positively-charged basic groups on α-lactalbumin and the negatively-charged carboxylate groups on OA molecules play an essential role in the binding of OA to α-lactalbumin and that these interactions appear to be as important as hydrophobic interactions. Copyright © 2012 Wiley Periodicals, Inc.

Effects of the bond polarity on the structural and dynamical properties of silica-like liquids

NASA Astrophysics Data System (ADS)

Pafong Sanjon, E.; Drossel, B.; Vogel, M.

2018-03-01

Silica is a network-forming liquid that shares many properties with water due to its tetrahedral structure. It undergoes a transition from a fragile to a strong liquid as the temperature is decreased, which is accompanied by a structural change to lower density and higher tetrahedral order. In order to disentangle the effects of Coulomb and van der Waals interactions on the structure and dynamics of liquid silica, we modify the bond polarity by changing the partial charges assigned to each atom. Using molecular dynamics simulations, we show that density, tetrahedral order, and structural relaxation times decrease when reducing bond polarity. Moreover, we find that the density maximum and the fragile-to-strong transition move to lower temperatures until they eventually vanish when the partial charges are decreased below approximately 75% of their regular value. Irrespective of whether strong or fragile behavior exists, structural relaxation is governed by hopping motion at sufficiently low temperatures. As long as there is a strong regime, the energy barrier associated with strong dynamics decreases with decreasing partial charges, but the dependence on the bond polarity differs from that of the activation energy in the Arrhenius regime at high temperatures. We show that the fragile-to-strong transition is associated with structural changes occurring between the first and second coordination shells that lead to a decrease in density and an increase in tetrahedral order. In particular, independent of the value of the partial charges, the distribution of the local structures is the same at this dynamic crossover, but we find no evidence that the effect occurs upon crossing the Widom line. In the fragile regime at intermediate temperatures, the relaxation times are well described by a previously proposed model which decomposes the apparent activation energy into a constant single-particle contribution and a temperature-dependent collective contribution. However, our results for silica-like melts do not obey several common relations of the model parameters reported for molecular glass formers.

The use of solution adaptive grids in solving partial differential equations

NASA Technical Reports Server (NTRS)

Anderson, D. A.; Rai, M. M.

1982-01-01

The grid point distribution used in solving a partial differential equation using a numerical method has a substantial influence on the quality of the solution. An adaptive grid which adjusts as the solution changes provides the best results when the number of grid points available for use during the calculation is fixed. Basic concepts used in generating and applying adaptive grids are reviewed in this paper, and examples illustrating applications of these concepts are presented.

Sprue Design and Its Effect on the Castability and Porosity of Titanium Removable Partial Denture Frameworks

DTIC Science & Technology

1997-06-10

been in the area of implantology . Recent advances in dental titanium casting machines allow for the use of titanium for crowns, fixed partial dentures...medical implant prostheses (McKinney and Lemons, 1985; Williams, 1981). By the end of the 1960s, titanium found a niche in dental implantology ...as an implant or restorative material. In the field of dental implantology , evidence suggests that metal corrosion and allergenicity may be important

Quantum localization of classical mechanics

NASA Astrophysics Data System (ADS)

Batalin, Igor A.; Lavrov, Peter M.

2016-07-01

Quantum localization of classical mechanics within the BRST-BFV and BV (or field-antifield) quantization methods are studied. It is shown that a special choice of gauge fixing functions (or BRST-BFV charge) together with the unitary limit leads to Hamiltonian localization in the path integral of the BRST-BFV formalism. In turn, we find that a special choice of gauge fixing functions being proportional to extremals of an initial non-degenerate classical action together with a very special solution of the classical master equation result in Lagrangian localization in the partition function of the BV formalism.

Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction.

PubMed

Yang, Yang; Yu, Haibo; York, Darrin; Cui, Qiang; Elstner, Marcus

2007-10-25

The standard self-consistent-charge density-functional-tight-binding (SCC-DFTB) method (Phys. Rev. B 1998, 58, 7260) is derived by a second-order expansion of the density functional theory total energy expression, followed by an approximation of the charge density fluctuations by charge monopoles and an effective damped Coulomb interaction between the atomic net charges. The central assumptions behind this effective charge-charge interaction are the inverse relation of atomic size and chemical hardness and the use of a fixed chemical hardness parameter independent of the atomic charge state. While these approximations seem to be unproblematic for many covalently bound systems, they are quantitatively insufficient for hydrogen-bonding interactions and (anionic) molecules with localized net charges. Here, we present an extension of the SCC-DFTB method to incorporate third-order terms in the charge density fluctuations, leading to chemical hardness parameters that are dependent on the atomic charge state and a modification of the Coulomb scaling to improve the electrostatic treatment within the second-order terms. These modifications lead to a significant improvement in the description of hydrogen-bonding interactions and proton affinities of biologically relevant molecules.

A data driven partial ambiguity resolution: Two step success rate criterion, and its simulation demonstration

NASA Astrophysics Data System (ADS)

Hou, Yanqing; Verhagen, Sandra; Wu, Jie

2016-12-01

Ambiguity Resolution (AR) is a key technique in GNSS precise positioning. In case of weak models (i.e., low precision of data), however, the success rate of AR may be low, which may consequently introduce large errors to the baseline solution in cases of wrong fixing. Partial Ambiguity Resolution (PAR) is therefore proposed such that the baseline precision can be improved by fixing only a subset of ambiguities with high success rate. This contribution proposes a new PAR strategy, allowing to select the subset such that the expected precision gain is maximized among a set of pre-selected subsets, while at the same time the failure rate is controlled. These pre-selected subsets are supposed to obtain the highest success rate among those with the same subset size. The strategy is called Two-step Success Rate Criterion (TSRC) as it will first try to fix a relatively large subset with the fixed failure rate ratio test (FFRT) to decide on acceptance or rejection. In case of rejection, a smaller subset will be fixed and validated by the ratio test so as to fulfill the overall failure rate criterion. It is shown how the method can be practically used, without introducing a large additional computation effort. And more importantly, how it can improve (or at least not deteriorate) the availability in terms of baseline precision comparing to classical Success Rate Criterion (SRC) PAR strategy, based on a simulation validation. In the simulation validation, significant improvements are obtained for single-GNSS on short baselines with dual-frequency observations. For dual-constellation GNSS, the improvement for single-frequency observations on short baselines is very significant, on average 68%. For the medium- to long baselines, with dual-constellation GNSS the average improvement is around 20-30%.

78 FR 62352 - Proposed Agency Information Collection Activities; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-18

... or summary information concerning the costs incurred, and interchange transaction fees charged or... basis) aggregate or summary information concerning the costs incurred, and interchange transaction fees... costs and fixed costs, and to instruct respondents to exclude transactions monitoring from the...

Competition of density waves and quantum multicritical behavior in Dirac materials from functional renormalization

NASA Astrophysics Data System (ADS)

Classen, Laura; Herbut, Igor F.; Janssen, Lukas; Scherer, Michael M.

2016-03-01

We study the competition of spin- and charge-density waves and their quantum multicritical behavior for the semimetal-insulator transitions of low-dimensional Dirac fermions. Employing the effective Gross-Neveu-Yukawa theory with two order parameters as a model for graphene and a growing number of other two-dimensional Dirac materials allows us to describe the physics near the multicritical point at which the semimetallic and the spin- and charge-density-wave phases meet. With the help of a functional renormalization group approach, we are able to reveal a complex structure of fixed points, the stability properties of which decisively depend on the number of Dirac fermions Nf. We give estimates for the critical exponents and observe crucial quantitative corrections as compared to the previous first-order ɛ expansion. For small Nf, the universal behavior near the multicritical point is determined by the chiral Heisenberg universality class supplemented by a decoupled, purely bosonic, Ising sector. At large Nf, a novel fixed point with nontrivial couplings between all sectors becomes stable. At intermediate Nf, including the graphene case (Nf=2 ), no stable and physically admissible fixed point exists. Graphene's phase diagram in the vicinity of the intersection between the semimetal, antiferromagnetic, and staggered density phases should consequently be governed by a triple point exhibiting first-order transitions.

Propagation of partially coherent Lorentz-Gauss vortex beam through oceanic turbulence.

PubMed

Liu, Dajun; Yin, Hongming; Wang, Guiqiu; Wang, Yaochuan

2017-11-01

The partially coherent Lorentz-Gauss vortex beam generated by a Schell-model source has been introduced. Based on the extended Huygens-Fresnel principle, the cross-spectral density function of a partially coherent Lorentz-Gauss vortex beam propagating in oceanic turbulence is derived. The influences of coherence length, topological charge M, and oceanic turbulence on the spreading properties and position of the coherence vortex for a partially coherent Lorentz-Gauss vortex beam are analyzed in detail. The results show that a partially coherent Lorentz-Gauss vortex beam propagating in stronger oceanic turbulence will evolve into a Gaussian-like beam more rapidly as the propagation distance increases, and the number of coherent vortices will change.

Implant-retained dentures for full-arch rehabilitation: a case report comparing fixed and removable restorations.

PubMed

Zafiropoulos, Gregory-George; Hoffman, Oliver

2011-01-01

Dental implants as abutments for full-arch restorations are a well-documented treatment modality. This report presents a case in which the patient was treated initially with fixed restorations supported by either implants or natural teeth and subsequently treated with a removable implant/telescopic crown-supported overdenture. Advantages and disadvantages of each approach are described and discussed. While the fixed restoration resulted in a functionally satisfactory treatment outcome, the patient was displeased with the esthetic appearance. The main concern was the unnaturally long tooth shape necessary to compensate for the insufficient alveolar ridge height. Replacement of the existing restoration with an implant-supported removable overdenture led to a functionally and esthetically acceptable result. When deciding whether to use a fixed or removable implant-supported full-arch restoration, a multitude of factors must be considered. Due to the possible need for additional surgical steps to enhance the esthetic appearance surrounding fixed restorations, removable implant-supported partial dentures often are the better choice.

Activation energy of negative fixed charges in thermal ALD Al{sub 2}O{sub 3}

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

Kühnhold-Pospischil, S.; Institute of Physical Chemistry, Albert-Ludwigs-Universität Freiburg, Albertstr. 21, 79104 Freiburg; Freiburg Materials Research Center FMF, Albert-Ludwigs-Universität Freiburg, Stefan-Meier-Str. 21, 79104 Freiburg

2016-08-08

A study of the thermally activated negative fixed charges Q{sub tot} and the interface trap densities D{sub it} at the interface between Si and thermal atomic-layer-deposited amorphous Al{sub 2}O{sub 3} layers is presented. The thermal activation of Q{sub tot} and D{sub it} was conducted at annealing temperatures between 220 °C and 500 °C for durations between 3 s and 38 h. The temperature-induced differences in Q{sub tot} and D{sub it} were measured using the characterization method called corona oxide characterization of semiconductors. Their time dependency were fitted using stretched exponential functions, yielding activation energies of E{sub A} = (2.2 ± 0.2) eV and E{submore » A} = (2.3 ± 0.7) eV for Q{sub tot} and D{sub it}, respectively. For annealing temperatures from 350 °C to 500 °C, the changes in Q{sub tot} and D{sub it} were similar for both p- and n-type doped Si samples. In contrast, at 220 °C the charging process was enhanced for p-type samples. Based on the observations described in this contribution, a charging model leading to Q{sub tot} based on an electron hopping process between the silicon and Al{sub 2}O{sub 3} through defects is proposed.« less

The small impact of various partial charge distributions in ground and excited state on the computational Stokes shift of 1-methyl-6-oxyquinolinium betaine in diverse water models

NASA Astrophysics Data System (ADS)

Heid, Esther; Harringer, Sophia; Schröder, Christian

2016-10-01

The influence of the partial charge distribution obtained from quantum mechanics of the solute 1-methyl-6-oxyquinolinium betaine in the ground- and first excited state on the time-dependent Stokes shift is studied via molecular dynamics computer simulation. Furthermore, the effect of the employed solvent model — here the non-polarizable SPC, TIP4P and TIP4P/2005 and the polarizable SWM4 water model — on the solvation dynamics of the system is investigated. The use of different functionals and calculation methods influences the partial charge distribution and the magnitude of the dipole moment of the solute, but not the orientation of the dipole moment. Simulations based on the calculated charge distributions show nearly the same relaxation behavior. Approximating the whole solute molecule by a dipole results in the same relaxation behavior, but lower solvation energies, indicating that the time scale of the Stokes shift does not depend on peculiarities of the solute. However, the SPC and TIP4P water models show too fast dynamics which can be ascribed to a too large diffusion coefficient and too low viscosity. The calculated diffusion coefficient and viscosity for the SWM4 and TIP4P/2005 models coincide well with experimental values and the corresponding relaxation behavior is comparable to experimental values. Furthermore we found that for a quantitative description of the Stokes shift of the applied system at least two solvation shells around the solute have to be taken into account.

Distributor means for charging particulate material into receptacles

DOEpatents

Greaves, Melvin J.

1977-06-14

Disclosed are receptacles, such as shaft furnaces illustrated by a blast furnace and an upright oil shale retort, embodying rotatable charge distributor means for distributing particulate charge material in the furnace, which charge distributor means can provide a high uniformity of distribution of various sizes of particles and also can provide and maintain a stock line of desired contour and heighth in the receptacle. The distributor means includes a hopper having rigidly fixed to it a plurality of downwardly extending chutes with lower discharge portions that discharge in concentric circular zones at the stock line. The distributor means includes a segmented portion at the juncture of the hopper and the chutes that divides the charge material discharged into the hopper in proportion to the area of the circular zone at the stock line that is fed by the chute. The distributor means embodies means for providing mass flow of the particulate charge material through the chutes to the stock line and for avoiding segregation between larger and smaller particles of charge material deposited at the stock line.

Conformational transition of κ-casein in micellar environment: Insight from the tryptophan fluorescence

NASA Astrophysics Data System (ADS)

Mishra, Smruti; Meher, Geetanjali; Chakraborty, Hirak

2017-11-01

Intrinsically disordered proteins (IDPs) are under intense analysis due to their structural flexibility and importance in biological functions. Minuscule modulation in the microenvironment induces significant conformational changes in IDPs, and these non-native conformations of the IDPs often induce aggregation and cause cell death. Changes in the membrane composition often change the microenvironment, which promote conformational change and aggregation of IDPs. κ-Casein, an important milk protein, belongs to the class of IDPs containing net negative charges. In this present work, we have studied the interaction of κ-casein with cetyltrimethyl ammonium bromide (CTAB), a positively charged surfactant, utilizing various steady state fluorescence, time-resolved fluorescence and circular dichroism spectroscopy. Our results clearly indicate that κ-casein undergoes at least two conformational transitions in presence of various concentrations of CTAB. The intrinsically disordered κ-casein assumes a partially folded conformation at lower concentration of CTAB, which adopts an unstructured conformation at higher concentration of CTAB. The partially folded conformation of κ-casein at a lower CTAB concentration might be induced by the favorable electrostatic interaction between the positively charged surfactant headgroup and net negative charges of the protein, whereas surfactant nature of CTAB is being pronounced at higher concentration of CTAB.

Electronic structure, dielectric response, and surface charge distribution of RGD (1FUV) peptide.

PubMed

Adhikari, Puja; Wen, Amy M; French, Roger H; Parsegian, V Adrian; Steinmetz, Nicole F; Podgornik, Rudolf; Ching, Wai-Yim

2014-07-08

Long and short range molecular interactions govern molecular recognition and self-assembly of biological macromolecules. Microscopic parameters in the theories of these molecular interactions are either phenomenological or need to be calculated within a microscopic theory. We report a unified methodology for the ab initio quantum mechanical (QM) calculation that yields all the microscopic parameters, namely the partial charges as well as the frequency-dependent dielectric response function, that can then be taken as input for macroscopic theories of electrostatic, polar, and van der Waals-London dispersion intermolecular forces. We apply this methodology to obtain the electronic structure of the cyclic tripeptide RGD-4C (1FUV). This ab initio unified methodology yields the relevant parameters entering the long range interactions of biological macromolecules, providing accurate data for the partial charge distribution and the frequency-dependent dielectric response function of this peptide. These microscopic parameters determine the range and strength of the intricate intermolecular interactions between potential docking sites of the RGD-4C ligand and its integrin receptor.

Determination of trap distributions from current characteristics of pentacene field-effect transistors with surface modified gate oxide

NASA Astrophysics Data System (ADS)

Scheinert, Susanne; Pernstich, Kurt P.; Batlogg, Bertram; Paasch, Gernot

2007-11-01

It has been demonstrated [K. P. Pernstich, S. Haas, D. Oberhoff, C. Goldmann, D. J. Gundlach, B. Batlogg, A. N. Rashid, and G. Schitter, J. Appl. Phys. 96, 6431 (2004)] that a controllable shift of the threshold voltage in pentacene thin film transistors is caused by the use of organosilanes with different functional groups forming a self-assembled monolayer (SAM) on the gate oxide. The observed broadening of the subthreshold region indicates that the SAM creates additional trap states. Indeed, it is well known that traps strongly influence the behavior of organic field-effect transistors (OFETs). Therefore, the so-called "amorphous silicon (a-Si) model" has been suggested to be an appropriate model to describe OFETs. The main specifics of this model are transport of carriers above a mobility edge obeying Boltzmann statistics and exponentially distributed tail states and deep trap states. Here, approximate trap distributions are determined by adjusting two-dimensional numerical simulations to the experimental data. It follows from a systematic variation of parameters describing the trap distributions that the existence of both donorlike and acceptorlike trap distributions near the valence band, respectively, and a fixed negative interface charge have to be assumed. For two typical devices with different organosilanes the electrical characteristics can be described well with a donorlike bulk trap distribution, an acceptorlike interface distribution, and/or a fixed negative interface charge. As expected, the density of the fixed or trapped interface charge depends strongly on the surface treatment of the dielectric. There are some limitations in determining the trap distributions caused by either slow time-dependent processes resulting in differences between transfer and output characteristics, or in the uncertainty of the effective mobility.

Optimizing multi-step B-side charge separation in photosynthetic reaction centers from Rhodobacter capsulatus

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

Faries, Kaitlyn M.; Kressel, Lucas L.; Dylla, Nicholas P.

Using high-throughput methods for mutagenesis, protein isolation and charge-separation functionality, we have assayed 40 Rhodobacter capsulatus reaction center (RC) mutants for their P+ QB- yield (P is a dimer of bacteriochlorophylls and Q is a ubiquinone) as produced using the normally inactive B-side cofactors BB and HB (where B is a bacteriochlorophyll and H is a bacteriopheophytin). Two sets of mutants explore all possible residues at M131 (M polypeptide, native residue Val near HB) in tandem with either a fixed His or a fixed Asn at L181 (L polypeptide, native residue Phe near BB). A third set of mutants exploresmore » all possible residues at L181 with a fixed Glu at M131 that can form a hydrogen bond to HB. For each set of mutants, the results of a rapid millisecond screening assay that probes the yield of P+ QB- are compared among that set and to the other mutants reported here or previously. For a subset of eight mutants, the rate constants and yields of the individual B-side electron transfer processes are determined via transient absorption measurements spanning 100 fs to 50 μs. The resulting ranking of mutants for their yield of P+ QB- from ultrafast experiments is in good agreement with that obtained from the millisecond screening assay, further validating the efficient, high-throughput screen for B-side transmembrane charge separation. Results from mutants that individually show progress toward optimization of P+ HB- → P+ QB- electron transfer or initial P* → P+ HB- conversion highlight unmet challenges of optimizing both processes simultaneously.« less

The local surface plasmon resonance property and refractive index sensitivity of metal elliptical nano-ring arrays

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

Lin, Weihua, E-mail: linwh-whu@hotmail.com; Wang, Qian; Dong, Anhua

2014-11-15

In this paper, we systematically investigate the optical property and refractive index sensitivity (RIS) of metal elliptical nano-ring (MENR) arranged in rectangle lattice by finite-difference time-domain method. Eight kinds of considered MENRs are divided into three classes, namely fixed at the same outer size, at the same inner size, and at the same middle size. All MENR arrays show a bonding mode local surface plasmon resonance (LSPR) peak in the near-infrared region under longitudinal and transverse polarizations, and lattice diffraction enhanced LSPR peaks emerge, when the LSPR peak wavelength (LSPRPW) matches the effective lattice constant of the array. The LSPRPWmore » is determined by the charge moving path length, the parallel and cross interactions induced by the stable distributed charges, and the moving charges inter-attraction. High RIS can be achieved by small particle distance arrays composed of MENRs with big inner size and small ring-width. On the other hand, for a MENR array, the comprehensive RIS (including RIS and figure of merit) under transverse polarization is superior to that under longitudinal polarization. Furthermore, on condition that compared arrays are fixed at the same lattice constant, the phenomenon that the RIS of big ring-width MENR arrays may be higher than that of small ring-width MENR arrays only appears in the case of compared arrays with relatively small lattice constant and composed of MENRs fixed at the same inner size simultaneously. Meanwhile, the LSPRPW of the former MENR arrays is also larger than that of the latter MENR arrays. Our systematic results may help experimentalists work with this type of systems.« less

Sulfonium Ion Derivatization, Isobaric Stable Isotope Labeling and Data Dependent CID- and ETD-MS/MS for Enhanced Phosphopeptide Quantitation, Identification and Phosphorylation Site Characterization

PubMed Central

Lu, Yali; Zhou, Xiao; Stemmer, Paul M.; Reid, Gavin E.

2014-01-01

An amine specific peptide derivatization strategy involving the use of novel isobaric stable isotope encoded ‘fixed charge’ sulfonium ion reagents, coupled with an analysis strategy employing capillary HPLC, ESI-MS, and automated data dependent ion trap CID-MS/MS, -MS3, and/or ETD-MS/MS, has been developed for the improved quantitative analysis of protein phosphorylation, and for identification and characterization of their site(s) of modification. Derivatization of 50 synthetic phosphopeptides with S,S′-dimethylthiobutanoylhydroxysuccinimide ester iodide (DMBNHS), followed by analysis using capillary HPLC-ESI-MS, yielded an average 2.5-fold increase in ionization efficiencies and a significant increase in the presence and/or abundance of higher charge state precursor ions compared to the non-derivatized phosphopeptides. Notably, 44% of the phosphopeptides (22 of 50) in their underivatized states yielded precursor ions whose maximum charge states corresponded to +2, while only 8% (4 of 50) remained at this maximum charge state following DMBNHS derivatization. Quantitative analysis was achieved by measuring the abundances of the diagnostic product ions corresponding to the neutral losses of ‘light’ (S(CH3)2) and ‘heavy’ (S(CD3)2) dimethylsulfide exclusively formed upon CID-MS/MS of isobaric stable isotope labeled forms of the DMBNHS derivatized phosphopeptides. Under these conditions, the phosphate group stayed intact. Access for a greater number of peptides to provide enhanced phosphopeptide sequence identification and phosphorylation site characterization was achieved via automated data-dependent CID-MS3 or ETD-MS/MS analysis due to the formation of the higher charge state precursor ions. Importantly, improved sequence coverage was observed using ETD-MS/MS following introduction of the sulfonium ion fixed charge, but with no detrimental effects on ETD fragmentation efficiency. PMID:21952753

In vivo determination of steric and electrostatic exclusion of albumin in rat skin and skeletal muscle

PubMed Central

Gyenge, Christina C; Tenstad, Olav; Wiig, Helge

2003-01-01

In order to estimate the magnitude of electrostatic exclusion provided by the fixed negative charges of the skin and muscle interstitia of rat in vivo we measured the distribution volumes of two differently charged albumin probes within these tissues. An implanted osmotic pump was used to reach and maintain a steady-state extracellular concentration of a mixture containing two iodine-labelled probes: a charged-modified human serum albumin, cHSA (i.e. a positive probe, isoelectirc point (pI) = 7.6) and a native human serum albumin, HSA (i.e. a normally charged, negative probe, pI = 5.0). Steady-state tissue concentrations were achieved after intravenous infusion of probes for 5–7 days. At the end of this period the animals were nephrectomized and a bolus of 51Cr-EDTA was administered for estimating the extracellular volume. Plasma volumes were measured as 5-min distribution volume of 125I-HSA in separate experiments. The steady-state interstitial fluid concentrations of all probes were determined using nylon wicks implanted postmortem. Calculations of labelled probes were made for interstitial fluid volumes (Vi), extravascular albumin distribution volumes (Vav,a) and relative interstitial excluded volume fractions (Vex,a/Vi). We found that the positive probe is excluded from a significantly smaller fraction of the interstitium. Specifically, the average relative albumin exclusion fractions obtained were: 16% and 26% in skeletal muscle and 30% and 40% in skin, for cHSA and HSA, respectively. On average, the fixed negative charges of the interstitium are responsible for about 40% of the total albumin exclusion in skeletal muscle and 25% in the whole skin tissue and thus, contribute significantly to volume exclusion in these tissues. PMID:12937287

In vivo determination of steric and electrostatic exclusion of albumin in rat skin and skeletal muscle.

PubMed

Gyenge, Christina C; Tenstad, Olav; Wiig, Helge

2003-11-01

In order to estimate the magnitude of electrostatic exclusion provided by the fixed negative charges of the skin and muscle interstitia of rat in vivo we measured the distribution volumes of two differently charged albumin probes within these tissues. An implanted osmotic pump was used to reach and maintain a steady-state extracellular concentration of a mixture containing two iodine-labelled probes: a charged-modified human serum albumin, cHSA (i.e. a positive probe, isoelectirc point (pI) = 7.6) and a native human serum albumin, HSA (i.e. a normally charged, negative probe, pI = 5.0). Steady-state tissue concentrations were achieved after intravenous infusion of probes for 5-7 days. At the end of this period the animals were nephrectomized and a bolus of 51Cr-EDTA was administered for estimating the extracellular volume. Plasma volumes were measured as 5-min distribution volume of 125I-HSA in separate experiments. The steady-state interstitial fluid concentrations of all probes were determined using nylon wicks implanted postmortem. Calculations of labelled probes were made for interstitial fluid volumes (Vi), extravascular albumin distribution volumes (Vav,a) and relative interstitial excluded volume fractions (Vex,a/Vi). We found that the positive probe is excluded from a significantly smaller fraction of the interstitium. Specifically, the average relative albumin exclusion fractions obtained were: 16% and 26% in skeletal muscle and 30% and 40% in skin, for cHSA and HSA, respectively. On average, the fixed negative charges of the interstitium are responsible for about 40% of the total albumin exclusion in skeletal muscle and 25% in the whole skin tissue and thus, contribute significantly to volume exclusion in these tissues.

Corona And Ultraviolet Equipment For Testing Materials

NASA Technical Reports Server (NTRS)

Laue, Eric G.

1993-01-01

Two assemblies of laboratory equipment developed for use in testing abilities of polymers, paints, and other materials to withstand ultraviolet radiation and charged particles. One is vacuum ultraviolet source built around commercial deuterium lamp. Other exposes specimen in partial vacuum to both ultraviolet radiation and brush corona discharge. Either or both assemblies used separately or together to simulate approximately combination of solar radiation and charged particles encountered by materials aboard spacecraft in orbit around Earth. Also used to provide rigorous environmental tests of materials exposed to artificial ultraviolet radiation and charged particles in industrial and scientific settings or to natural ultraviolet radiation and charged particles aboard aircraft at high altitudes.

Optimization of CMOS image sensor utilizing variable temporal multisampling partial transfer technique to achieve full-frame high dynamic range with superior low light and stop motion capability

NASA Astrophysics Data System (ADS)

Kabir, Salman; Smith, Craig; Armstrong, Frank; Barnard, Gerrit; Schneider, Alex; Guidash, Michael; Vogelsang, Thomas; Endsley, Jay

2018-03-01

Differential binary pixel technology is a threshold-based timing, readout, and image reconstruction method that utilizes the subframe partial charge transfer technique in a standard four-transistor (4T) pixel CMOS image sensor to achieve a high dynamic range video with stop motion. This technology improves low light signal-to-noise ratio (SNR) by up to 21 dB. The method is verified in silicon using a Taiwan Semiconductor Manufacturing Company's 65 nm 1.1 μm pixel technology 1 megapixel test chip array and is compared with a traditional 4 × oversampling technique using full charge transfer to show low light SNR superiority of the presented technology.

Structure and mechanical properties of Cresco-Ti laser-welded joints and stress analyses using finite element models of fixed distal extension and fixed partial prosthetic designs.

PubMed

Uysal, Hakan; Kurtoglu, Cem; Gurbuz, Riza; Tutuncu, Naki

2005-03-01

The Cresco-Ti System uses a laser-welded process that provides an efficient technique to achieve passive fit frameworks. However, mechanical behavior of the laser-welded joint under biomechanical stress factors has not been demonstrated. This study describes the effect of Cresco-Ti laser-welding conditions on the material properties of the welded specimen and analyzes stresses on the weld joint through 3-dimensional finite element models (3-D FEM) of implant-supported fixed dentures with cantilever extensions and fixed partial denture designs. Twenty Grade III (ASTM B348) commercially pure titanium specimens were machine-milled to the dimensions described in the EN10002-1 tensile test standard and divided into test (n = 10) and control (n = 10) groups. The test specimens were sectioned and laser-welded. All specimens were subjected to tensile testing to determine yield strength (YS), ultimate tensile strength (UTS), and percent elongation (PE). The Knoop micro-indentation test was performed to determine the hardness of all specimens. On welded specimens, the hardness test was performed at the welded surface. Data were analyzed with the Mann-Whitney U test and Student's t test (alpha=.05). Fracture surfaces were examined by scanning electron microscopy to characterize the mode of fracture and identify defects due to welding. Three-dimensional FEMs were created that simulated a fixed denture with cantilever extensions supported by 5 implants (M1) and a fixed partial denture supported by 2 implants (M2), 1 of which was angled 30 degrees mesio-axially. An oblique load of 400 N with 15 degrees lingual-axial inclinations was applied to both models at various locations. Test specimens fractured between the weld and the parent material. No porosities were observed on the fractured surfaces. Mean values for YS, UTS, PE, and Knoop hardness were 428 +/- 88 MPa, 574 +/- 113 MPa, 11.2 +/- 0.4%, 270 +/- 17 KHN, respectively, for the control group and 642 +/- 2 MPa, 772 +/- 72 MPa, 4.8 +/- 0.7%, 353 +/- 23 KHN, respectively, for the test group. The differences between the groups were significant for all mechanical properties ( P <.05). For both models, the FEA revealed that maximum principal stresses were concentrated at the framework-weld junction but did not exceed the UTS of the weld joint. Within the constraints of the finite element models, mechanical failure of the welded joint between the support and the framework may not be expected under biomechanical conditions simulated in this study.

Coaxial charged particle energy analyzer

NASA Technical Reports Server (NTRS)

Kelly, Michael A. (Inventor); Bryson, III, Charles E. (Inventor); Wu, Warren (Inventor)

2011-01-01

A non-dispersive electrostatic energy analyzer for electrons and other charged particles having a generally coaxial structure of a sequentially arranged sections of an electrostatic lens to focus the beam through an iris and preferably including an ellipsoidally shaped input grid for collimating a wide acceptance beam from a charged-particle source, an electrostatic high-pass filter including a planar exit grid, and an electrostatic low-pass filter. The low-pass filter is configured to reflect low-energy particles back towards a charged particle detector located within the low-pass filter. Each section comprises multiple tubular or conical electrodes arranged about the central axis. The voltages on the lens are scanned to place a selected energy band of the accepted beam at a selected energy at the iris. Voltages on the high-pass and low-pass filters remain substantially fixed during the scan.

Polarization and interface charge coupling in ferroelectric/AlGaN/GaN heterostructure

NASA Astrophysics Data System (ADS)

Zhang, Min; Kong, Yuechan; Zhou, Jianjun; Xue, Fangshi; Li, Liang; Jiang, Wenhai; Hao, Lanzhong; Luo, Wenbo; Zeng, Huizhong

2012-03-01

Asymmetrical shift behaviors of capacitance-voltage (C-V) curve with opposite direction are observed in two AlGaN/GaN metal-ferroelectric-semiconductor (MFS) heterostructures with Pb(Zr,Ti)O3 and LiNbO3 gate dielectrics. By incorporating the switchable polar nature of the ferroelectric into a self-consistent calculation, the coupling effect between the ferroelectric and the interface charges is disclosed. The opposite initial orientation of ferroelectric dipoles determined by the interface charges is essentially responsible for the different C-V characteristics. A critical fixed charge density of -1.27 × 1013cm-2 is obtained, which plays a key role in the dependence of the C-V characteristic on the ferroelectric polarization. The results pave the way for design of memory devices based on MFS structure with heteropolar interface.

Impact of Distribution Feeders that do not have Voltage Regulators on the number of Charged Electric Vehicles using IEEE 34 Bus Test Feeder

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

Allehyani, Ahmed; Beshir, Mohammed

Voltage regulators help maintain an acceptable voltage profile for the system. This paper discusses the effect of installing voltage regulators to the system to fix the voltage drop resulting from the electrical vehicles loading increase when they are being charged. The effect will be studied in the afternoon, when the peak load occurs, using the IEEE 34 bus test feeder. First, only one spot node is used to charge the electric vehicles while a voltage regulator is present. Second, five spot nodes are loaded at the same time to charge the electric vehicles while voltage regulators are installed at eachmore » node. After that, the impact of electric vehicles on distribution feeders that do not have voltage regulators will appear.« less

Analysis of differential and active charging phenomena on ATS-5 and ATS-6

NASA Technical Reports Server (NTRS)

Olsen, R. C.; Whipple, E. C., Jr.

1980-01-01

Spacecraft charging on the differential charging and artificial particle emission experiments on ATS 5 and ATS 6 were studied. Differential charging of spacecraft surfaces generated large electrostatic barriers to spacecraft generated electrons, from photoemission, secondary emission, and thermal emitters. The electron emitter could partially or totally discharge the satellite, but the mainframe recharged negatively in a few 10's of seconds. The time dependence of the charging behavior was explained by the relatively large capacitance for differential charging in comparison to the small spacecraft to space capacitance. A daylight charging event on ATS 6 was shown to have a charging behavior suggesting the dominance of differential charging on the absolute potential of the mainframe. Ion engine operations and plasma emission experiments on ATS 6 were shown to be an effective means of controlling the spacecraft potential in eclipse and sunlight. Elimination of barrier effects around the detectors and improving the quality of the particle data are discussed.

46 CFR 162.161-4 - Construction.

Code of Federal Regulations, 2014 CFR

2014-10-01

...: SPECIFICATIONS AND APPROVAL ENGINEERING EQUIPMENT Fixed Clean Agent Fire Extinguishing Systems § 162.161-4... mechanical or pneumatic means. (d) Automatically actuated systems must be released by pneumatic or fusible... actuation and have a remote backup manual mechanical actuator. (f) Each container charged with nitrogen must...

46 CFR 162.161-4 - Construction.

Code of Federal Regulations, 2012 CFR

2012-10-01

...: SPECIFICATIONS AND APPROVAL ENGINEERING EQUIPMENT Fixed Clean Agent Fire Extinguishing Systems § 162.161-4... mechanical or pneumatic means. (d) Automatically actuated systems must be released by pneumatic or fusible... actuation and have a remote backup manual mechanical actuator. (f) Each container charged with nitrogen must...

46 CFR 162.161-4 - Construction.

Code of Federal Regulations, 2013 CFR

2013-10-01

...: SPECIFICATIONS AND APPROVAL ENGINEERING EQUIPMENT Fixed Clean Agent Fire Extinguishing Systems § 162.161-4... mechanical or pneumatic means. (d) Automatically actuated systems must be released by pneumatic or fusible... actuation and have a remote backup manual mechanical actuator. (f) Each container charged with nitrogen must...

46 CFR 520.2 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-10-01

... basic ocean freight rate. BTA means the Commission's Bureau of Trade Analysis or its successor bureau... carriers which provides for the fixing of and adherence to uniform tariff rates, charges, practices and... via dial-up telecommunications or a network link and interacts with the carrier's or publisher's...

46 CFR 520.2 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-10-01

... basic ocean freight rate. BTA means the Commission's Bureau of Trade Analysis or its successor bureau... carriers which provides for the fixing of and adherence to uniform tariff rates, charges, practices and... via dial-up telecommunications or a network link and interacts with the carrier's or publisher's...

46 CFR 520.2 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-10-01

... basic ocean freight rate. BTA means the Commission's Bureau of Trade Analysis or its successor bureau... carriers which provides for the fixing of and adherence to uniform tariff rates, charges, practices and... via dial-up telecommunications or a network link and interacts with the carrier's or publisher's...

46 CFR 520.2 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-10-01

... basic ocean freight rate. BTA means the Commission's Bureau of Trade Analysis or its successor bureau... carriers which provides for the fixing of and adherence to uniform tariff rates, charges, practices and... via dial-up telecommunications or a network link and interacts with the carrier's or publisher's...

46 CFR 520.2 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-10-01

... basic ocean freight rate. BTA means the Commission's Bureau of Trade Analysis or its successor bureau... carriers which provides for the fixing of and adherence to uniform tariff rates, charges, practices and... via dial-up telecommunications or a network link and interacts with the carrier's or publisher's...

Fully redundant mechanical release actuator

NASA Technical Reports Server (NTRS)

Lucy, Melvin H. (Inventor)

1987-01-01

A system is described for performing a mechanical release function exhibiting low shock. This system includes two pyrotechnic detents fixed mounted in opposing axial alignment within a cylindrical housing having two mechanical bellows. Two mechanical bellow assemblies, each having one end hermetically bonded to the housing and the other to the respective actuator pin extending from either end of the housing, ensure that all outgassing and contamination from the operation of the pyrotechnic devices will be contained within the housing and bellows. The pin on one end of the assembly is fixed mounted and supported, via a bolt or ball-and-socket joint so that when the charge corresponding to that pin ignites, the entire assembly will exhibit rectilinear movement, including the opposing pin providing the unlatching motion. The release detent pin is supported by a linear bearing and when its corresponding pyrotechnic charge ignites the pin is retracted within the housing producing the same unlatching motion without movement of the entire assembly, thus providing complete mechanical, electrical and pyrotechnic redundancy for the unlatching pin.

Photoinduced electron transfer in fixed distance chlorophyll-quinone donor-acceptor molecules

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

Wasielewski, M.R.; Johnson, D.G.; Svec, W.A.

1987-01-01

A series of fixed distance chlorophyll-quinone donor-acceptor molecules have been prepared. The donor consists of either methyl pyropheophorbide a or methyl pyrochlorophyllide a, while the acceptor is either benzoquinone or naphthoquinone. The acceptors are fused to a triptycene spacer group, which in turn is attached to the donors at their vinyl groups. Picosecond transient absorption measurements have been used to identify electron transfer from the lowest excited singlet state of the donor to the acceptor as the mechanism of fluorescence quenching in these molecules. The charge separation rate constants increase from 2 x 10/sup 10/ s/sup -1/ to 4 xmore » 10/sup 11/ s/sup -1/ as the free energy of charge separation increases, while the radical pair recombination rate constants decrease from 1.2 x 10/sup 11/ s/sup -1/ to 2 x 10/sup 9/ s/sup -1/ as the free energy of recombination increases. The resulting total reorganization energy lambda = 0.9 eV.« less

Wet oxidation of GeSi strained layers by rapid thermal processing

NASA Astrophysics Data System (ADS)

Nayak, D. K.; Kamjoo, K.; Park, J. S.; Woo, J. C. S.; Wang, K. L.

1990-07-01

A cold-wall rapid thermal processor is used for the wet oxidation of the commensurately grown GexSi1-x layers on Si substrates. The rate of oxidation of the GexSi1-x layer is found to be significantly higher than that of pure Si, and the oxidation rate increases with the increase in the Ge content in GexSi1-x layer. The oxidation rate of GexSi1-x appears to decrease with increasing oxidation time for the time-temperature cycles considered here. Employing high-frequency and quasi-static capacitance-voltage measurements, it is found that a fixed negative oxide charge density in the range of 1011- 1012/cm2 and the interface trap level density (in the mid-gap region) of about 1012/cm2 eV are present. Further, the density of this fixed interface charge at the SiO2/GeSi interface is found to increase with the Ge concentration in the commensurately grown GeSi layers.

Biosorption of metal ions from aqueous solutions

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

Chen, Jiaping; Yiacoumi, Sotira

1997-01-01

Copper biosorption from aqueous solutions by calcium alginate is reported in this paper. The experimental section includes potentiometric titrations of biosorbents, batch equilibrium and kinetic studies of copper biosorption, as well as fixed-bed biosorption experiments. The potentiometric titration results show that the surface charge increases with decreasing pH. The biosorption of copper strongly depends on solution pH; the metal ion binding increases from 0 to 90 percent in pH ranging from 1.5 to 5.0. In addition, a decrease in ionic strength results in an increase of copper ion removal. Kinetic studies indicate that mass transfer plays an important role inmore » the biosorption rate. Furthermore, a fixed-bed biosorption experiment shows that calcium alginate has a significant capacity for copper ion removal. The two-pK Basic Stem model successfully represents the surface charge and equilibrium biosorption experimental data. The calculation results demonstrate that the copper removal may result from the binding of free copper and its hydroxide with surface functional groups of the biosorbents.« less

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Excellent Passivation of p-Type Si Surface by Sol-Gel Al2O3 Films

NASA Astrophysics Data System (ADS)

Xiao, Hai-Qing; Zhou, Chun-Lan; Cao, Xiao-Ning; Wang, Wen-Jing; Zhao, Lei; Li, Hai-Ling; Diao, Hong-Wei

2009-08-01

Al2O3 films with a thickness of about 100 nm synthesized by spin coating and thermally treated are applied for field-induced surface passivation of p-type crystalline silicon. The level of surface passivation is determined by techniques based on photoconductance. An effective surface recombination velocity below 100 cm/s is obtained on 10Ω ·cm p-type c-Si wafers (Cz Si). A high density of negative fixed charges in the order of 1012 cm-2 is detected in the Al2O3 films and its impact on the level of surface passivation is demonstrated experimentally. Furthermore, a comparison between the surface passivation achieved for thermal SiO2 and plasma enhanced chemical vapor deposition SiNx:H films on the same c-Si is presented. The high negative fixed charge density explains the excellent passivation of p-type c-Si by Al2O3.

Effects of coating rectangular microscopic electrophoresis chamber with methylcellulose

NASA Technical Reports Server (NTRS)

Plank, L. D.

1985-01-01

One of the biggest problems in obtaining high accuracy in microscopic electrophoresis is the parabolic flow of liquid in the chamber due to electroosmotic backflow during application of the electric field. In chambers with glass walls the source of polarization leading to electroosmosis is the negative charge of the silicare and other ions that form the wall structure. It was found by Hjerten, who used a rotating 3.0 mm capillary tube for free zone electrophoresis, that precisely neutralizing this charge was extremely difficult, but if a neutral polymer matrix (formaldehyde fixed methylcellulose) was formed over the glass (quartz) wall the double layer was displaced and the viscosity at the shear plane increased so that electroosmotic flow could be eliminated. Experiments were designed to determine the reliability with which methylcellulose coating of the Zeiss Cytopherometer chamber reduced electroosmotic backflow and the effect of coating on the accuracy of cell electrophoretic mobility (EPN) determinations. Fixed rat erythrocytes (RBC) were used as test particles.

Grouping in decomposition method for multi-item capacitated lot-sizing problem with immediate lost sales and joint and item-dependent setup cost

NASA Astrophysics Data System (ADS)

Narenji, M.; Fatemi Ghomi, S. M. T.; Nooraie, S. V. R.

2011-03-01

This article examines a dynamic and discrete multi-item capacitated lot-sizing problem in a completely deterministic production or procurement environment with limited production/procurement capacity where lost sales (the loss of customer demand) are permitted. There is no inventory space capacity and the production activity incurs a fixed charge linear cost function. Similarly, the inventory holding cost and the cost of lost demand are both associated with a linear no-fixed charge function. For the sake of simplicity, a unit of each item is assumed to consume one unit of production/procurement capacity. We analyse a different version of setup costs incurred by a production or procurement activity in a given period of the planning horizon. In this version, called the joint and item-dependent setup cost, an additional item-dependent setup cost is incurred separately for each produced or ordered item on top of the joint setup cost.

Origin of positive fixed charge at insulator/AlGaN interfaces and its control by AlGaN composition

NASA Astrophysics Data System (ADS)

Matys, M.; Stoklas, R.; Blaho, M.; Adamowicz, B.

2017-06-01

The key feature for the precise tuning of Vth in GaN-based metal-insulator-semiconductor (MIS) high electron mobility transistors is the control of the positive fixed charge (Qf) at the insulator/III-N interfaces, whose amount is often comparable to the negative surface polarization charge ( Qp o l -). In order to clarify the origin of Qf, we carried out a comprehensive capacitance-voltage (C-V) characterization of SiO2/AlxGa1-xN/GaN and SiN/AlxGa1-xN/GaN structures with Al composition (x) varying from 0.15 to 0.4. For both types of structures, we observed a significant Vth shift in C-V curves towards the positive gate voltage with increasing x. On the contrary, the Schottky gate structures exhibited Vth shift towards the more negative biases. From the numerical simulations of C-V curves using the Poisson's equation supported by the analytical calculations of Vth, we showed that the Vth shift in the examined MIS structures is due to a significant decrease in the positive Qf with rising x. Finally, we examined this result with respect to various hypotheses developed in the literature to explain the origin of the positive Qf at insulator/III-N interfaces.

Primary Energy Reconstruction from the Charged Particle Densities Recorded with the KASCADE-Grande Detector at 500 m Distance from Shower Core

NASA Astrophysics Data System (ADS)

Toma, G.; Apel, W. D.; Arteaga, J. C.; Bekk, K.; Bertaina, M.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Buchholz, P.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; di Pierro, F.; Doll, P.; Engel, R.; Engler, J.; Finger, M.; Fuhrmann, D.; Ghia, P. L.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huege, T.; Isar, P. G.; Kampert, K.-H.; Kang, D.; Kickelbick, D.; Klages, H. O.; Link, K.; Łuczak, P.; Ludwig, M.; Mathes, H. J.; Mayer, H. J.; Melissas, M.; Milke, J.; Mitrica, B.; Morello, C.; Navarra, G.; Nehls, S.; Oehlschläger, J.; Ostapchenko, S.; Over, S.; Palmieri, N.; Petcu, M.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schröder, F.; Sima, O.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Wommer, M.; Zabierowski, J.

2010-11-01

Previous EAS investigations have shown that for a fixed primary energy the charged particle density becomes independent of the primary mass at certain (fixed) distances from the shower core. This feature can be used as an estimator for the primary energy. We present results on the reconstruction of the primary energy spectrum of cosmic rays from the experimentally recorded S(500) observable (the density of charged particles at 500 m distance to the shower core) using the KASCADE-Grande detector array. The KASCADE-Grande experiment is hosted by the Karlsruhe Institute for Technology-Campus North, Karlsruhe, Germany, and operated by an international collaboration. The constant intensity cut (CIC) method is applied to evaluate the attenuation of the S(500) observable with the zenith angle and is corrected for. A calibration of S(500) values with the primary energy has been worked out by simulations and was applied to the data to obtain the primary energy spectrum (in the energy range log10[E0/GeV]∈[7.5,9]). The systematic uncertainties induced by different sources are considered. In addition, a correction based on a response matrix is applied to account for the effects of shower-to-shower fluctuations on the spectral index of the reconstructed energy spectrum.

Effect of alterations in glomerular charge on deposition of cationic and anionic antibodies to fixed glomerular antigens in the rat.

PubMed

Adler, S; Baker, P; Pritzl, P; Couser, W G

1985-07-01

Reduction of the negative charge of the glomerular capillary wall alters its charge- and size-selective properties. To investigate the effect of alteration in glomerular charge properties on antibody localization, we prepared cationic and anionic fractions of antibodies to subepithelial and glomerular basement membrane (GBM) antigens, and compared their deposition in normal rats and rats treated with protamine sulfate or aminonucleoside of puromycin to reduce capillary wall charge. IgG antibodies were eluted from kidneys of rats with active Heymann's nephritis (AICN), passive Heymann's nephritis (PHN), or anti-GBM nephritis (NTN), separated into cationic and anionic fractions, and radiolabeled with iodine 125 or iodine 131. Relative antibody content of each fraction was determined by incubation with an excess of glomerular antigen. Varying amounts of cationic and anionic IgG eluted from kidneys of rats with AICN or PHN were injected into 24 normal or protamine sulfate-treated rats. Glomerular binding of all antibodies was highly correlated with IgG delivery to the kidney. The ratio of cationic to anionic antibody deposited in the glomeruli of normal rats after 4 hours was 1.08 +/- 0.07 for AICN eluate and 0.37 +/- 0.04 for PHN eluate. The ratios were not significantly different in animals pretreated with protamine sulfate (1.15 +/- 0.06 and 0.44 +/- 0.06, respectively; P greater than 0.05). Varying amounts of cationic and anionic IgG eluted from kidneys of rats with NTN were injected into 10 normal rats and four rats treated with aminonucleoside of puromycin. Glomerular binding of antibody was again highly correlated with IgG delivery to the kidney. The ratio of cationic to anionic antibody deposited in the glomeruli of normal rats after 1 hour was 1.03 +/- 0.06, and was not significantly altered in rats treated with aminonucleoside of puromycin (1.05 +/- 0.03, P greater than 0.5). Proteinuria in PHN rats was also unaffected by treatment with protamine sulfate for 5 days (controls: 68 +/- 21 mg/day; protamine sulfate-treated: 65 +/- 14 mg/day; n = 25, P greater than 0.08). These results demonstrate that treatment to reduce glomerular polyanion does not significantly alter the ratio of cationic to anionic antibodies to fixed glomerular antigens that deposit in the glomerulus, or reduce proteinuria caused by deposition of antibody to a fixed subepithelial antigen.

Thermodynamics Calculation and Experimental Study on Separation of Bismuth from a Bismuth Glance Concentrate Through a Low-Temperature Molten Salt Smelting Process

NASA Astrophysics Data System (ADS)

Yang, Jian-Guang; He, De-Wen; Tang, Chao-Bo; Chen, Yong-Ming; Sun, Ya-Hui; Tang, Mo-Tang

2011-08-01

The main purpose of this study is to characterize and separate bismuth from a bismuth glance concentrate through a low-temperature, sulfur-fixing smelting process. This article reports on a study conducted on the optimization of process parameters, such as Na2CO3 and zinc oxide wt pct in charging, smelting temperature, smelting duration on the bismuth yield, resultant crude bismuth grade, and sulfur-fixing rate. A maximum bismuth recovery of 97.31 pct, crude bismuth grade of 96.93 pct, and 98.23 pct sulfur-fixing rate are obtained when a charge (containing 63.50 wt pct of Na2CO3 and 22.50 wt pct of bismuth glance, as well as 5 pct in excess of the stoichiometric requirement of zinc oxide dosage) is smelted at 1000 K (727 °C) for 150 minutes. This smelting operation is free from atmospheric pollution because zinc oxide is used as the sulfur-fixing agent, which can capture sulfur from bismuth sulfide and form the more thermodynamic-stable compound, zinc sulfide. The solid residue is subjected to a mineral dressing operation to obtain suspension, which is filtered to produce a cake, representing the solid particles of zinc sulfide. Based on the results of the chemical content analysis of the as-resultant zinc sulfide, more than 93 pct zinc sulfide can be recovered, and the recovered zinc sulfide grade can reach 60.20 pct. This material can be sold as zinc sulfide concentrate or roasted to be regenerated as zinc oxide.

Calculation of rates of exciton dissociation into hot charge-transfer states in model organic photovoltaic interfaces

NASA Astrophysics Data System (ADS)

Vázquez, Héctor; Troisi, Alessandro

2013-11-01

We investigate the process of exciton dissociation in ordered and disordered model donor/acceptor systems and describe a method to calculate exciton dissociation rates. We consider a one-dimensional system with Frenkel states in the donor material and states where charge transfer has taken place between donor and acceptor. We introduce a Green's function approach to calculate the generation rates of charge-transfer states. For disorder in the Frenkel states we find a clear exponential dependence of charge dissociation rates with exciton-interface distance, with a distance decay constant β that increases linearly with the amount of disorder. Disorder in the parameters that describe (final) charge-transfer states has little effect on the rates. Exciton dissociation invariably leads to partially separated charges. In all cases final states are “hot” charge-transfer states, with electron and hole located far from the interface.

Alchemical prediction of hydration free energies for SAMPL

PubMed Central

Mobley, David L.; Liu, Shaui; Cerutti, David S.; Swope, William C.; Rice, Julia E.

2013-01-01

Hydration free energy calculations have become important tests of force fields. Alchemical free energy calculations based on molecular dynamics simulations provide a rigorous way to calculate these free energies for a particular force field, given sufficient sampling. Here, we report results of alchemical hydration free energy calculations for the set of small molecules comprising the 2011 Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenge. Our calculations are largely based on the Generalized Amber Force Field (GAFF) with several different charge models, and we achieved RMS errors in the 1.4-2.2 kcal/mol range depending on charge model, marginally higher than what we typically observed in previous studies1-5. The test set consists of ethane, biphenyl, and a dibenzyl dioxin, as well as a series of chlorinated derivatives of each. We found that, for this set, using high-quality partial charges from MP2/cc-PVTZ SCRF RESP fits provided marginally improved agreement with experiment over using AM1-BCC partial charges as we have more typically done, in keeping with our recent findings5. Switching to OPLS Lennard-Jones parameters with AM1-BCC charges also improves agreement with experiment. We also find a number of chemical trends within each molecular series which we can explain, but there are also some surprises, including some that are captured by the calculations and some that are not. PMID:22198475

METHOD FOR PRODUCING ISOTOPIC METHANES AND PARTIALLY HALOGENATED DERIVATIVES THEROF

DOEpatents

Frazer, J.W.

1959-08-18

A method is given for producing isotopic methanes and/ or partially halogenated derivatives. Lithium hydride, deuteride, or tritide is reacted with a halogenated methane or with a halogenated methane in combination with free halogen. The process is conveniently carried out by passing a halogenated methane preferably at low pressures or in an admixture with an inert gas through a fixed bed of finely divided lithium hydride heated initially to temperatures of 100 to 200 deg C depending upon the halogenated methane used.

Instability analysis of charges trapped in the oxide of metal-ultra thin oxide-semiconductor structures

NASA Astrophysics Data System (ADS)

Aziz, A.; Kassmi, K.; Maimouni, R.; Olivié, F.; Sarrabayrouse, G.; Martinez, A.

2005-09-01

In this paper, we present the theoretical and experimental results of the influence of a charge trapped in ultra-thin oxide of metal/ultra-thin oxide/semiconductor structures (MOS) on the I(Vg) current-voltage characteristics when the conduction is of the Fowler-Nordheim (FN) tunneling type. The charge, which is negative, is trapped near the cathode (metal/oxide interface) after constant current injection by the metal (Vg<0). Of particular interest is the influence on the Δ Vg(Vg) shift over the whole I(Vg) characteristic at high field (greater than the injection field (>12.5 MV/cm)). It is shown that the charge centroid varies linearly with respect to the voltage Vg. The behavior at low field (<12.5 MV/cm) is analyzed in référence A. Aziz, K. Kassmi, Ka. Kassmi, F. Olivié, Semicond. Sci. Technol. 19, 877 (2004) and considers that the trapped charge centroid is fixed. The results obtained make it possible to analyze the influence of the injected charge and the applied field on the centroid position of the trapped charge, and to highlight the charge instability in the ultra-thin oxide of MOS structures.

Ion-atom charge-transfer reactions and a hot intercloud medium. [in interstellar space

NASA Technical Reports Server (NTRS)

Steigman, G.

1975-01-01

An investigation is conducted concerning the ionization equilibrium of carbon in a hot intercloud medium (ICM), taking into account various charge-transfer reactions. Attention is given to problems related to observations of carbon along the lines of sight to several unreddened stars. It is pointed out that the observed underabundance of C III and overabundance of C I can be consistent with the presence of a hot, partially ionized ICM, provided that two of the charge-transfer reactions considered are rapid at thermal energies.

Partial discharge testing of bulk transformer oil

NASA Astrophysics Data System (ADS)

Rohwein, G. J.

The generation of partial discharges in bulk transformer oil was investigated experimentally to determine the dominant conditions which contribute to their formation and growth under repetitive impulse stresses. The motivation for conducting these experiments arose from a problem with partial discharges and breakdowns occurring in the insulating oil around the high voltage switch in a continuous running 1.5 MV repetitive pulser system. From the experiment it was found tht repetitive stressing caused low level field ionization around the electrodes which led to bubble formation and eventually partial discharges. There were also qualitative indications of charge accumulation in the oil. Photographic records of numerous shot sequences were used to study the phenomena.

A managerial approach to costing fixed assets in health care organizations: the role of depreciation and interest.

PubMed

Goldschmidt, Y; Gafni, A

1991-01-01

The economic aspect of depreciation and interest on capital are incorporated within a managerial accounting framework by treating both items as imputed charges to be debited to the users of the assets' services. The costs of these services is examined for individual assets that provide either uniform or declining service over the expected life, and for a stock of assets where the character of the individual assets is ignored. By using imputed charges, the hospital's net income is allocated to its sources.

Cosmological constant and quantum gravitational corrections to the running fine structure constant.

PubMed

Toms, David J

2008-09-26

The quantum gravitational contribution to the renormalization group behavior of the electric charge in Einstein-Maxwell theory with a cosmological constant is considered. Quantum gravity is shown to lead to a contribution to the running charge not present when the cosmological constant vanishes. This reopens the possibility, suggested by Robinson and Wilczek, of altering the scaling behavior of gauge theories at high energies although our result differs. We show the possibility of an ultraviolet fixed point that is linked directly to the cosmological constant.

Magnetic properties of confined holographic QCD

NASA Astrophysics Data System (ADS)

Bergman, Oren; Lifschytz, Gilad; Lippert, Matthew

2013-12-01

We investigate the Sakai-Sugimoto model at nonzero baryon chemical potential in a background magnetic field in the confined phase where chiral symmetry is broken. The D8-brane Chern-Simons term holographically encodes the axial anomaly and generates a gradient of the η' meson, which carries a non-vanishing baryon charge. Above a critical value of the chemical potential, there is a second-order phase transition to a mixed phase which includes also ordinary baryonic matter. However, at fixed baryon charge density, the matter is purely η'-gradient above a critical magnetic field.

Performing the Millikan experiment at the molecular scale: Determination of atomic Millikan-Thomson charges by computationally measuring atomic forces.

PubMed

Rogers, T Ryan; Wang, Feng

2017-10-28

An atomic version of the Millikan oil drop experiment is performed computationally. It is shown that for planar molecules, the atomic version of the Millikan experiment can be used to define an atomic partial charge that is free from charge flow contributions. We refer to this charge as the Millikan-Thomson (MT) charge. Since the MT charge is directly proportional to the atomic forces under a uniform electric field, it is the most relevant charge for force field developments. The MT charge shows good stability with respect to different choices of the basis set. In addition, the MT charge can be easily calculated even at post-Hartree-Fock levels of theory. With the MT charge, it is shown that for a planar water dimer, the charge transfer from the proton acceptor to the proton donor is about -0.052 e. While both planar hydrated cations and anions show signs of charge transfer, anions show a much more significant charge transfer to the hydration water than the corresponding cations. It might be important to explicitly model the ion charge transfer to water in a force field at least for the anions.

Intermittently-fed high-pressure gasifier process

DOEpatents

Bailey, J.M.; Zadoks, A.L.

1993-11-30

An improved gasifier is described which is adapted for gasifying a predetermined charge of non-gaseous fuel into fuel gas. Each charge of non-gaseous fuel, which may have optional conditioning materials added to it, is intermittently fed to a gasifier chamber where each charge is partially burned with high-pressure air supplied thereto. High-pressure and temperature fuel gas is produced which is cleansed prior to passing out of the gasifier chamber. After gasification of the charge of fuel is ended, the gasifier chamber is vented. The residue of the burned charge in the gasifier chamber is removed, along with the contaminated or reacted conditioning materials, and replaced by a fresh charge. The subject invention provides a feasible way of continuously fueling an internal combustion engine with gasified fuel and is compact enough to be practical for even mobile applications. 3 figures.

NASCAP user's manual

NASA Technical Reports Server (NTRS)

Mandell, M. J.; Harvey, J. M.; Katz, I.

1977-01-01

The NASCAP (NASA Charging Analyzer Program) code simulates the charging process for a complex object in either tenuous plasma or ground test environment. Detailed specifications needed to run the code are presented. The object definition section, OBJDEF, allows the test object to be easily defined in the cubic mesh. The test object is composed of conducting sections which may be wholly or partially covered with thin dielectric coatings. The potential section, POTENT, obtains the electrostatic potential in the space surrounding the object. It uses the conjugate gradient method to solve the finite element formulation of Poisson's equation. The CHARGE section of NASCAP treats charge redistribution among the surface cells of the object as well as charging through radiation bombardment. NASCAP has facilities for extensive graphical output, including several types of object display plots, potential contour plots, space charge density contour plots, current density plots, and particle trajectory plots.

Magnetically charged calorons with non-trivial holonomy

NASA Astrophysics Data System (ADS)

Kato, Takumi; Nakamula, Atsushi; Takesue, Koki

2018-06-01

Instantons in pure Yang-Mills theories on partially periodic space R^3× {S}^1 are usually called calorons. The background periodicity brings on characteristic features of calorons such as non-trivial holonomy, which plays an essential role for confinement/deconfinement transition in pure Yang-Mills gauge theory. For the case of gauge group SU(2), calorons can be interpreted as composite objects of two constituent "monopoles" with opposite magnetic charges. There are often the cases that the two monopole charges are unbalanced so that the calorons possess net magnetic charge in R3. In this paper, we consider several mechanism how such net magnetic charges appear for certain types of calorons through the ADHM/Nahm construction with explicit examples. In particular, we construct analytically the gauge configuration of the (2 , 1)-caloron with U(1)-symmetry, which has intrinsically magnetic charge.

Intermittently-fed high-pressure gasifier process

DOEpatents

Bailey, John M.; Zadoks, Abraham L.

1993-11-30

An improved gasifier adapted for gasifying a predetermined charge of non-gaseous fuel into fuel gas. Each charge of non-gaseous fuel, which may have optional conditioning materials added to it, is intermittently fed to a gasifier chamber where each charge is partially burned with high-pressure air supplied thereto. High-pressure and temperature fuel gas is produced which is cleansed prior to passing out of the gasifier chamber. After gasification of the charge of fuel is is ended, the gasifier chamber is vented. The residue of the burned charge in the gasifier chamber is removed, along with the contaminated or reacted conditioning materials, and replaced by a fresh charge. The subject invention provides a feasible way of continuously fueling an internal combustion engine with gasified fuel and is compact enough to be practical for even mobile applications.

Lookback Option Pricing with Fixed Proportional Transaction Costs under Fractional Brownian Motion.

PubMed

Sun, Jiao-Jiao; Zhou, Shengwu; Zhang, Yan; Han, Miao; Wang, Fei

2014-01-01

The pricing problem of lookback option with a fixed proportion of transaction costs is investigated when the underlying asset price follows a fractional Brownian motion process. Firstly, using Leland's hedging method a partial differential equation satisfied by the value of the lookback option is derived. Then we obtain its numerical solution by constructing a Crank-Nicolson format. Finally, the effectiveness of the proposed form is verified through a numerical example. Meanwhile, the impact of transaction cost rate and volatility on lookback option value is discussed.

Lookback Option Pricing with Fixed Proportional Transaction Costs under Fractional Brownian Motion

PubMed Central

Sun, Jiao-Jiao; Zhou, Shengwu; Zhang, Yan; Han, Miao; Wang, Fei

2014-01-01

The pricing problem of lookback option with a fixed proportion of transaction costs is investigated when the underlying asset price follows a fractional Brownian motion process. Firstly, using Leland's hedging method a partial differential equation satisfied by the value of the lookback option is derived. Then we obtain its numerical solution by constructing a Crank-Nicolson format. Finally, the effectiveness of the proposed form is verified through a numerical example. Meanwhile, the impact of transaction cost rate and volatility on lookback option value is discussed. PMID:27433525

Tunable cavity resonator including a plurality of MEMS beams

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

Peroulis, Dimitrios; Fruehling, Adam; Small, Joshua Azariah

A tunable cavity resonator includes a substrate, a cap structure, and a tuning assembly. The cap structure extends from the substrate, and at least one of the substrate and the cap structure defines a resonator cavity. The tuning assembly is positioned at least partially within the resonator cavity. The tuning assembly includes a plurality of fixed-fixed MEMS beams configured for controllable movement relative to the substrate between an activated position and a deactivated position in order to tune a resonant frequency of the tunable cavity resonator.

Angulated Implants for Fabrication of Implant Supported Fixed Partial Denture in the Maxilla

PubMed Central

Egbert, Nicholas; Ahuja, Swati; Selecman, Audrey; Wicks, Russell

2017-01-01

Until recently, angled abutments have been the only solution to correcting the trajectory of the emergence profile of labially inclined implants in the maxilla. However, the clinical implications of angled abutments reveal several shortcomings. Newly designed angulated implants with a 12-degree restorative platform angulation are an alternative to angled abutments. The purpose of this article was to report a case utilizing new angulated implants (Co-axis, Keystone dental, Burlington, MA, USA) in the premaxilla thereby facilitating fabrication of a multi-unit implant retained fixed dental prosthesis. PMID:29201975

Transport and Reactivity of Engineered Nanoparticles in Partially Saturated Porous Media

NASA Astrophysics Data System (ADS)

Dror, I.; Yecheskel, Y.; Berkowitz, B.

2015-12-01

Engineered nanoparticles (ENPs) are being produced in increasing amounts and have numerous applications in a variety of products and industrial processes. The same properties that make these substances so appealing may also cause them to act as persistent and toxic pollutants. The post-use release of ENPs to the environment is inevitable and soil appears to be one of the largest sinks of these potential contaminants. To date, despite the significant attention that ENP behavior in the environment has received, only a few studies have considered the fate and transport of ENPs in partially saturated systems. Here, we report measurements on the transport and fate of three commonly used ENPs - silver (Ag), gold (Au) and zinc oxide (ZnO) - in partially saturated porous media. The results show that ENP interactions with the solid matrix and solution components affect the fate of the ENPs and their transport. The negatively charged ENPs (AgNPs and AuNPs) are shown to be mobile in sand (which is also negatively charged) under various conditions, including water saturation levels and inlet concentration, with transport behavior resembling conservative tracer movement. Various aging scenarios were considered and the interaction of AgNPs with sulfides, chlorides, and calcium ions, all of which are known to interact and change AgNP properties, are shown to affect AgNP fate; however, in some cases, the changed particles remained suspended in solution and mobile. The positively charged ZnO showed very low mobility, but when humic acid was present in the inlet solution, interactions leading to enhanced mobility were observed. The presence of humic acid also changes ENP size and surface charge, transforming them to negatively charged larger aggregates that can be transported through the sand. Finally, remobilization of particles that were retained in the porous media was also demonstrated for ZnO ENPs, indicating possible release of entrapped ENPs upon changes in solution chemistry.

On occlusal forces in dentitions with implant-supported fixed cantilever prostheses.

PubMed

Falk, H

1990-01-01

The main aims of this thesis were (1) to study the functional characteristics of dentitions with mandibular implant-supported fixed cantilever prostheses - IFCP s- occluding with complete dentures, (2) to study in detail the magnitudes and distributions of axially directed closing and chewing forces in such dentitions, (3) to study the influence of number and distribution of occlusal contacts on the magnitude and distribution of closing and chewing forces, (4) to assess the vertical bending moment and the resulting vertical bending stress in the cantilever joints and (5) to find out whether the force distribution over the cantilever beams and the resulting vertical bending stress in the cantilever joint are influenced by the type of prosthetic construction in the opposing jaw. Closing and chewing forces were registered in altogether seventeen subjects by means of miniature strain gauge transducers mounted bilaterally and symmetrically in performed matrices in prosthetic appliances. Four, six or eight transducers, evenly distributed over the tooth-arch, permitted registrations of axially directed occlusal forces in several occluding areas simultaneously. In Papers I-IV, the implant-supported prostheses were installed in the mandible and occluded with complete dentures. In Paper V, group A, the fixture-supported prostheses were installed in the maxilla and occluded with tooth-supported fixed partial dentures whereas in group B, the arrangements were analogous to those in Papers I-IV. All subjects exhibited a rhythmic chewing pattern and preferred one side for chewing although both sides were used. Most chewing sequences were terminated with swallowing with occlusal force development. The mean total forces acting over the tooth-arch varied somewhat between groups and occlusal arrangements but averaged 350 and 170 N for closing and chewing respectively. Closing and chewing forces increased distally along the cantilever beams when occluding with complete dentures and decreased distally when occluding with fixed partial dentures. The distally increasing force distribution pattern could be altered to a distally decreasing force distribution pattern by infraoccluding the second cantilever unit by as little as 100 microns. Calculated vertical bending moments and stresses in the cantilever joints of the preferred chewing sides created by closing and chewing forces were larger in dentitions where the IFCP occluded with a complete denture than in dentitions where the IFCP occluded with a tooth-supported fixed partial denture.

Modeling charge collection efficiency degradation in partially depleted GaAs photodiodes using the 1- and 2-carrier Hecht equations

DOE PAGES

Auden, E. C.; Vizkelethy, G.; Serkland, D. K.; ...

2017-03-24

Here, the Hecht equation can be used to model the nonlinear degradation of charge collection efficiency (CCE) in response to radiation-induced displacement damage in both fully and partially depleted GaAs photodiodes. CCE degradation is measured for laser-generated photocurrent as a function of fluence and bias in Al 0.3Ga 0.7As/GaAs/Al 0.25Ga 0.75As p-i-n photodiodes which have been irradiated with 12 MeV C and 7.5 MeV Si ions. CCE is observed to degrade more rapidly with fluence in partially depleted photodiodes than in fully depleted photodiodes. When the intrinsic GaAs layer is fully depleted, the 2-carrier Hecht equation describes CCE degradation asmore » photogenerated electrons and holes recombine at defect sites created by radiation damage in the depletion region. If the GaAs layer is partially depleted, CCE degradation is more appropriately modeled as the sum of the 2-carrier Hecht equation applied to electrons and holes generated within the depletion region and the 1-carrier Hecht equation applied to minority carriers that diffuse from the field-free (non-depleted) region into the depletion region. Enhanced CCE degradation is attributed to holes that recombine within the field-free region of the partially depleted intrinsic GaAs layer before they can diffuse into the depletion region.« less

Modeling charge collection efficiency degradation in partially depleted GaAs photodiodes using the 1- and 2-carrier Hecht equations

NASA Astrophysics Data System (ADS)

Auden, E. C.; Vizkelethy, G.; Serkland, D. K.; Bossert, D. J.; Doyle, B. L.

2017-05-01

The Hecht equation can be used to model the nonlinear degradation of charge collection efficiency (CCE) in response to radiation-induced displacement damage in both fully and partially depleted GaAs photodiodes. CCE degradation is measured for laser-generated photocurrent as a function of fluence and bias in Al0.3Ga0.7As/GaAs/Al0.25Ga0.75As p-i-n photodiodes which have been irradiated with 12 MeV C and 7.5 MeV Si ions. CCE is observed to degrade more rapidly with fluence in partially depleted photodiodes than in fully depleted photodiodes. When the intrinsic GaAs layer is fully depleted, the 2-carrier Hecht equation describes CCE degradation as photogenerated electrons and holes recombine at defect sites created by radiation damage in the depletion region. If the GaAs layer is partially depleted, CCE degradation is more appropriately modeled as the sum of the 2-carrier Hecht equation applied to electrons and holes generated within the depletion region and the 1-carrier Hecht equation applied to minority carriers that diffuse from the field-free (non-depleted) region into the depletion region. Enhanced CCE degradation is attributed to holes that recombine within the field-free region of the partially depleted intrinsic GaAs layer before they can diffuse into the depletion region.

Modeling charge collection efficiency degradation in partially depleted GaAs photodiodes using the 1- and 2-carrier Hecht equations

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

Auden, E. C.; Vizkelethy, G.; Serkland, D. K.

Here, the Hecht equation can be used to model the nonlinear degradation of charge collection efficiency (CCE) in response to radiation-induced displacement damage in both fully and partially depleted GaAs photodiodes. CCE degradation is measured for laser-generated photocurrent as a function of fluence and bias in Al 0.3Ga 0.7As/GaAs/Al 0.25Ga 0.75As p-i-n photodiodes which have been irradiated with 12 MeV C and 7.5 MeV Si ions. CCE is observed to degrade more rapidly with fluence in partially depleted photodiodes than in fully depleted photodiodes. When the intrinsic GaAs layer is fully depleted, the 2-carrier Hecht equation describes CCE degradation asmore » photogenerated electrons and holes recombine at defect sites created by radiation damage in the depletion region. If the GaAs layer is partially depleted, CCE degradation is more appropriately modeled as the sum of the 2-carrier Hecht equation applied to electrons and holes generated within the depletion region and the 1-carrier Hecht equation applied to minority carriers that diffuse from the field-free (non-depleted) region into the depletion region. Enhanced CCE degradation is attributed to holes that recombine within the field-free region of the partially depleted intrinsic GaAs layer before they can diffuse into the depletion region.« less

Associative charge transfer reactions. Temperature effects and mechanism of the gas-phase polymerization of propene initiated by a benzene radical cation.

PubMed

Ibrahim, Yehia; Meot-Ner Mautner, Michael; El-Shall, M Samy

2006-07-13

In associative charge transfer (ACT) reactions, a core ion activates ligand molecules by partial charge transfer. The activated ligand polymerizes, and the product oligomer takes up the full charge from the core ion. In the present system, benzene(+*) (Bz(+*)) reacts with two propene (Pr) molecules to form a covalently bonded ion, C(6)H(6)(+*) + 2 C(3)H(6) --> C(6)H(12)(+*) + C(6)H(6). The ACT reaction is activated by a partial charge transfer from Bz(+*) to Pr in the complex, and driven to completion by the formation of a covalent bond in the polymerized product. An alternative channel forms a stable association product (Bz.Pr)(+*), with an ACT/association product ratio of 60:40% that is independent of pressure and temperature. In contrast to the Bz(+*)/propene system, ACT polymerization is not observed in the Bz(+*)/ethylene (Et) system since charge transfer in the Bz(+*)(Et) complex is inefficient to activate the reaction. The roles of charge transfer in these complexes are verified by ab initio calculations. The overall reaction of Bz(+*) with Pr follows second-order kinetics with a rate constant of k (304 K) = 2.1 x 10(-12) cm(3) s(-1) and a negative temperature coefficient of k = aT(-5.9) (or an activation energy of -3 kcal/mol). The kinetic behavior is similar to sterically hindered reactions and suggests a [Bz(+*) (Pr)]* activated complex that proceeds to products through a low-entropy transition state. The temperature dependence shows that ACT reactions can reach a unit collision efficiency below 100 K, suggesting that ACT can initiate polymerization in cold astrochemical environments.

Statistical and Financial Information of Kansas Community Junior Colleges.

ERIC Educational Resources Information Center

Kansas State Dept. of Education, Topeka.

Data tables outline statistical and financial information for the 19 Kansas community junior colleges. Eight sections concern the following: (1) 1977-78 actual general fund expenditures in areas of administration, instruction, student services, health, transportation, plant operation and maintenance, fixed charges, food services, student body…

46 CFR 108.495 - Spare charges.

Code of Federal Regulations, 2013 CFR

2013-10-01

..., offices, lockers, small storerooms, and pantries, open decks, and similar spaces None required. service... extinguishing system is installed. 2. Not required where a fixed foam system is installed in accordance with § 108.489 of this subpart. Table 108.495(b) Classification: Type and size Water liters (gallons) Foam...

46 CFR 108.495 - Spare charges.

Code of Federal Regulations, 2010 CFR

2010-10-01

..., offices, lockers, small storerooms, and pantries, open decks, and similar spaces None required. service... extinguishing system is installed. 2. Not required where a fixed foam system is installed in accordance with § 108.489 of this subpart. Table 108.495(b) Classification: Type and size Water liters (gallons) Foam...

46 CFR 108.495 - Spare charges.

Code of Federal Regulations, 2011 CFR

2011-10-01

..., offices, lockers, small storerooms, and pantries, open decks, and similar spaces None required. service... extinguishing system is installed. 2. Not required where a fixed foam system is installed in accordance with § 108.489 of this subpart. Table 108.495(b) Classification: Type and size Water liters (gallons) Foam...

46 CFR 108.495 - Spare charges.

Code of Federal Regulations, 2012 CFR

2012-10-01

..., offices, lockers, small storerooms, and pantries, open decks, and similar spaces None required. service... extinguishing system is installed. 2. Not required where a fixed foam system is installed in accordance with § 108.489 of this subpart. Table 108.495(b) Classification: Type and size Water liters (gallons) Foam...

46 CFR 108.495 - Spare charges.

Code of Federal Regulations, 2014 CFR

2014-10-01

..., offices, lockers, small storerooms, and pantries, open decks, and similar spaces None required. service... extinguishing system is installed. 2. Not required where a fixed foam system is installed in accordance with § 108.489 of this subpart. Table 108.495(b) Classification: Type and size Water liters (gallons) Foam...

Red blood cells aligning inside innovative liquid crystal cell

NASA Astrophysics Data System (ADS)

Likhomanova, S. V.; Kamanin, A. A.; Kamanina, N. V.

2017-11-01

Investigation results of red blood cells (human erythrocytes) aligning and fixing inside the liquid crystal (LC) cell have been presented in the present paper. LC cells have been modified through the improved nanostructured relief and LC sensitized with intermolecular charge transfer complex COANP-C70.

76 FR 28121 - Notice of Passenger Facility Charge (PFC) Approvals and Disapprovals

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-13

.... Security cameras. Snow removal equipment. Update airport master plan study phases I and II. Obstruction... general aviation area. Preconditioned air and fixed ground power. Airfield environmental assessment... Withdrawal: April 19, 2011. Decision Date: April 25, 2011. FOR FURTHER INFORMATION CONTACT: Anna Guss...

An approach for fixed coefficient RNS-based FIR filter

NASA Astrophysics Data System (ADS)

Srinivasa Reddy, Kotha; Sahoo, Subhendu Kumar

2017-08-01

In this work, an efficient new modular multiplication method for {2k-1, 2k, 2k+1-1} moduli set is proposed to implement a residue number system (RNS)-based fixed coefficient finite impulse response filter. The new multiplication approach reduces the number of partial products by using pre-loaded product block. The reduction in partial products with the proposed modular multiplication improves the clock frequency and reduces the area and power as compared with the conventional modular multiplication. Further, the present approach eliminates a binary number to residue number converter circuit, which is usually needed at the front end of RNS-based system. In this work, two fixed coefficient filter architectures with the new modular multiplication approach are proposed. The filters are implemented using Verilog hardware description language. The United Microelectronics Corporation 90 nm technology library has been used for synthesis and the results area, power and delay are obtained with the help of Cadence register transfer level compiler. The power delay product (PDP) is also considered for performance comparison among the proposed filters. One of the proposed architecture is found to improve PDP gain by 60.83% as compared with the filter implemented with conventional modular multiplier. The filters functionality is validated with the help of Altera DSP Builder.

Effects of gasoline reactivity and ethanol content on boosted premixed and partially stratified low-temperature gasoline combustion (LTGC)

DOE PAGES

Dec, John E.; Yang, Yi; Ji, Chunsheng; ...

2015-04-14

Low-temperature gasoline combustion (LTGC), based on the compression ignition of a premixed or partially premixed dilute charge, can provide thermal efficiencies (TE) and maximum loads comparable to those of turbo-charged diesel engines, and ultra-low NOx and particulate emissions. Intake boosting is key to achieving high loads with dilute combustion, and it also enhances the fuel's autoignition reactivity, reducing the required intake heating or hot residuals. These effects have the advantages of increasing TE and charge density, allowing greater timing retard with good stability, and making the fuel Φ- sensitive so that partial fuel stratification (PFS) can be applied for highermore » loads and further TE improvements. However, at high boost the autoignition reactivity enhancement can become excessive, and substantial amounts of EGR are required to prevent overly advanced combustion. Accordingly, an experimental investigation has been conducted to determine how the tradeoff between the effects of intake boost varies with fuel-type and its impact on load range and TE. Five fuels are investigated: a conventional AKI=87 petroleum-based gasoline (E0), and blends of 10 and 20% ethanol with this gasoline to reduce its reactivity enhancement with boost (E10 and E20). Furthermore, a second zero-ethanol gasoline with AKI=93 (matching that of E20) was also investigated (CF-E0), and some neat ethanol data are also reported.« less

Rubbish.

ERIC Educational Resources Information Center

Rathje, William L.

1989-01-01

Presents a historical perspective of garbage management, including an exploration of what is cited as myths about garbage that guide our thinking in dealing with solid waste disposal problems. A partial list of topics includes quantity of garbage, landfills, toxic wastes, technological fixes, economics, source reduction, resource recovery,…

Comparing Positively and Negatively Charged Distonic Radical Ions in Phenylperoxyl Forming Reactions.

PubMed

Williams, Peggy E; Marshall, David L; Poad, Berwyck L J; Narreddula, Venkateswara R; Kirk, Benjamin B; Trevitt, Adam J; Blanksby, Stephen J

2018-06-04

In the gas phase, arylperoxyl forming reactions play a significant role in low-temperature combustion and atmospheric processing of volatile organic compounds. We have previously demonstrated the application of charge-tagged phenyl radicals to explore the outcomes of these reactions using ion trap mass spectrometry. Here, we present a side-by-side comparison of rates and product distributions from the reaction of positively and negatively charge tagged phenyl radicals with dioxygen. The negatively charged distonic radical ions are found to react with significantly greater efficiency than their positively charged analogues. The product distributions of the anion reactions favor products of phenylperoxyl radical decomposition (e.g., phenoxyl radicals and cyclopentadienone), while the comparable fixed-charge cations yield the stabilized phenylperoxyl radical. Electronic structure calculations rationalize these differences as arising from the influence of the charged moiety on the energetics of rate-determining transition states and reaction intermediates within the phenylperoxyl reaction manifold and predict that this influence could extend to intra-molecular charge-radical separations of up to 14.5 Å. Experimental observations of reactions of the novel 4-(1-carboxylatoadamantyl)phenyl radical anion confirm that the influence of the charge on both rate and product distribution can be modulated by increasing the rigidly imposed separation between charge and radical sites. These findings provide a generalizable framework for predicting the influence of charged groups on polarizable radicals in gas phase distonic radical ions. Graphical Abstract.

Comparing Positively and Negatively Charged Distonic Radical Ions in Phenylperoxyl Forming Reactions

NASA Astrophysics Data System (ADS)

Williams, Peggy E.; Marshall, David L.; Poad, Berwyck L. J.; Narreddula, Venkateswara R.; Kirk, Benjamin B.; Trevitt, Adam J.; Blanksby, Stephen J.

2018-06-01

In the gas phase, arylperoxyl forming reactions play a significant role in low-temperature combustion and atmospheric processing of volatile organic compounds. We have previously demonstrated the application of charge-tagged phenyl radicals to explore the outcomes of these reactions using ion trap mass spectrometry. Here, we present a side-by-side comparison of rates and product distributions from the reaction of positively and negatively charge tagged phenyl radicals with dioxygen. The negatively charged distonic radical ions are found to react with significantly greater efficiency than their positively charged analogues. The product distributions of the anion reactions favor products of phenylperoxyl radical decomposition (e.g., phenoxyl radicals and cyclopentadienone), while the comparable fixed-charge cations yield the stabilized phenylperoxyl radical. Electronic structure calculations rationalize these differences as arising from the influence of the charged moiety on the energetics of rate-determining transition states and reaction intermediates within the phenylperoxyl reaction manifold and predict that this influence could extend to intra-molecular charge-radical separations of up to 14.5 Å. Experimental observations of reactions of the novel 4-(1-carboxylatoadamantyl)phenyl radical anion confirm that the influence of the charge on both rate and product distribution can be modulated by increasing the rigidly imposed separation between charge and radical sites. These findings provide a generalizable framework for predicting the influence of charged groups on polarizable radicals in gas phase distonic radical ions.

Charged hadrons in local finite-volume QED+QCD with C⋆ boundary conditions

NASA Astrophysics Data System (ADS)

Lucini, B.; Patella, A.; Ramos, A.; Tantalo, N.

2016-02-01

In order to calculate QED corrections to hadronic physical quantities by means of lattice simulations, a coherent description of electrically-charged states in finite volume is needed. In the usual periodic setup, Gauss's law and large gauge transformations forbid the propagation of electrically-charged states. A possible solution to this problem, which does not violate the axioms of local quantum field theory, has been proposed by Wiese and Polley, and is based on the use of C⋆ boundary conditions. We present a thorough analysis of the properties and symmetries of QED in isolation and QED coupled to QCD, with C⋆ boundary conditions. In particular we learn that a certain class of electrically-charged states can be constructed in a fully consistent fashion without relying on gauge fixing and without peculiar complications. This class includes single particle states of most stable hadrons. We also calculate finite-volume corrections to the mass of stable charged particles and show that these are much smaller than in non-local formulations of QED.

A Combined Model of Charging of the Surface and Bulk of a Dielectric Target by Electrons with the Energies 10-30 keV

NASA Astrophysics Data System (ADS)

Zykov, V. M.; Neiman, D. A.

2018-04-01

A physico-mathematical model of the processes of radiation-induced charging of dielectric materials with open surfaces, irradiated with monoenergetic electrons in the energy range 10-30 keV, is described. The model takes into account the relationship between the processes of surface and bulk charging for the given conditions of the experimental design, which accounts for the effect of anomalously long charging of dielectrics after the incident energy of primary electrons during charging is reduced to below the second critical energy for the secondary electronic emission coefficient. The initial fast phase of charging a high-resistivity dielectric material (Al2O3) is investigated. It is shown that as the incident electron energy is approaching the second critical energy during charging, the secondary electronic emission is partially suppressed due to negative charging of the open surface of the dielectric and formation of a near-surface inversion electrical field retarding the electronic emission yield.

Induced-charge electroosmotic trapping of particles.

PubMed

Ren, Yukun; Liu, Weiyu; Jia, Yankai; Tao, Ye; Shao, Jinyou; Ding, Yucheng; Jiang, Hongyuan

2015-05-21

Position-controllable trapping of particles on the surface of a bipolar metal strip by induced-charge electroosmotic (ICEO) flow is presented herein. We demonstrate a nonlinear ICEO slip profile on the electrode surface accounting for stable particle trapping behaviors above the double-layer relaxation frequency, while no trapping occurs in the DC limit as a result of a strong upward fluidic drag induced by a linear ICEO slip profile. By extending an AC-flow field effect transistor from the DC limit to the AC field, we reveal that fixed-potential ICEO exceeding RC charging frequency can adjust the particle trapping position flexibly by generating controllable symmetry breaking in a vortex flow pattern. Our results open up new opportunities to manipulate microscopic objects in modern microfluidic systems by using ICEO.

Inter-conversion of Work and Heat With Plasma Electric Fields

NASA Astrophysics Data System (ADS)

Avinash, K.

2010-11-01

Thermodynamics of a model system where a group of cold charged particles locally confined in a volume VP within a warm plasma of temperature T and fixed volume V (VP<

Computer simulations and theoretical aspects of the depletion interaction in protein-oligomer mixtures.

PubMed

Boncina, M; Rescic, J; Kalyuzhnyi, Yu V; Vlachy, V

2007-07-21

The depletion interaction between proteins caused by addition of either uncharged or partially charged oligomers was studied using the canonical Monte Carlo simulation technique and the integral equation theory. A protein molecule was modeled in two different ways: either as (i) a hard sphere of diameter 30.0 A with net charge 0, or +5, or (ii) as a hard sphere with discrete charges (depending on the pH of solution) of diameter 45.4 A. The oligomers were pictured as tangentially jointed, uncharged, or partially charged, hard spheres. The ions of a simple electrolyte present in solution were represented by charged hard spheres distributed in the dielectric continuum. In this study we were particularly interested in changes of the protein-protein pair-distribution function, caused by addition of the oligomer component. In agreement with previous studies we found that addition of a nonadsorbing oligomer reduces the phase stability of solution, which is reflected in the shape of the protein-protein pair-distribution function. The value of this function in protein-protein contact increases with increasing oligomer concentration, and is larger for charged oligomers. The range of the depletion interaction and its strength also depend on the length (number of monomer units) of the oligomer chain. The integral equation theory, based on the Wertheim Ornstein-Zernike approach applied in this study, was found to be in fair agreement with Monte Carlo results only for very short oligomers. The computer simulations for a model mimicking the lysozyme molecule (ii) are in qualitative agreement with small-angle neutron experiments for lysozyme-dextran mixtures.

Charging performance of automotive batteries-An underestimated factor influencing lifetime and reliable battery operation

NASA Astrophysics Data System (ADS)

Sauer, Dirk Uwe; Karden, Eckhard; Fricke, Birger; Blanke, Holger; Thele, Marc; Bohlen, Oliver; Schiffer, Julia; Gerschler, Jochen Bernhard; Kaiser, Rudi

Dynamic charge acceptance and charge acceptance under constant voltage charging conditions are for two reasons essential for lead-acid battery operation: energy efficiency in applications with limited charging time (e.g. PV systems or regenerative braking in vehicles) and avoidance of accelerated ageing due to sulphation. Laboratory tests often use charge regimes which are beneficial for the battery life, but which differ significantly from the operating conditions in the field. Lead-acid batteries in applications with limited charging time and partial-state-of-charge operation are rarely fully charged due to their limited charge acceptance. Therefore, they suffer from sulphation and early capacity loss. However, when appropriate charging strategies are applied most of the lost capacity and thus performance for the user may be recovered. The paper presents several aspects of charging regimes and charge acceptance. Theoretical and experimental investigations show that temperature is the most critical parameter. Full charging within short times can be achieved only at elevated temperatures. A strong dependency of the charge acceptance during charging pulses on the pre-treatment of the battery can be observed, which is not yet fully understood. But these effects have a significant impact on the fuel efficiency of micro-hybrid electric vehicles.

Survival of various implant-supported prosthesis designs following 36 months of clinical function.

PubMed

Rodriguez, A M; Orenstein, I H; Morris, H F; Ochi, S

2000-12-01

The use of endosseous dental implants to replace natural teeth lost to trauma, dental caries, or periodontal disease has become a predictable form of prosthetic treatment since gaining popularity in the early 1980s. While numerous clinical studies have focused on the survival of implants, few address the survival of different prosthesis designs. Beginning in 1991, 882 prostheses supported by more than 2,900 implants (687 patients) were placed by the Department of Veterans Affairs Dental Implant Clinical Research Group (DICRG). These prostheses were divided into five research strata based on arch location. The recommended design for each stratum was: bar-supported overdenture (maxillary completely edentulous); screw-retained hybrid denture (mandibular completely edentulous); screw-retained fixed partial denture (mandibular and maxillary posterior partially edentulous); and cemented single crown (maxillary anterior single tooth). Alternative overdenture designs were utilized in the edentulous arches when the recommended prosthesis could not be fabricated. Prosthesis success rates for the research strata were calculated for an observation time of up to 36 months following prosthesis placement. Success rates for the maxillary edentulous stratum ranged from 94.6% for the bar-retained overdenture supported by five to six fixtures to 81.8% for the cap-retained overdenture. The mandibular edentulous strata produced success rates of 98.1% for the fixed hybrid prosthesis to 91.7% for the cap-retained prosthesis. Success rates for maxillary and mandibular posterior fixed partial dentures were 94.3% and 92.6%, respectively, while the maxillary anterior single-tooth prosthesis yielded a success rate of 98.1% for the 36-month observation period. The recommended prosthesis designs investigated in this study proved to be reliable, with encouraging success rates for an observation period of 36 months following placement.

Multi-Skyrmions on AdS2 × S2, rational maps and popcorn transitions

NASA Astrophysics Data System (ADS)

Canfora, Fabrizio; Tallarita, Gianni

2017-08-01

By combining two different techniques to construct multi-soliton solutions of the (3 + 1)-dimensional Skyrme model, the generalized hedgehog and the rational map ansatz, we find multi-Skyrmion configurations in AdS2 ×S2. We construct Skyrmionic multi-layered configurations such that the total Baryon charge is the product of the number of kinks along the radial AdS2 direction and the degree of the rational map. We show that, for fixed total Baryon charge, as one increases the charge density on ∂ (AdS2 ×S2) , it becomes increasingly convenient energetically to have configurations with more peaks in the radial AdS2 direction but a lower degree of the rational map. This has a direct relation with the so-called holographic popcorn transitions in which, when the charge density is high, multi-layered configurations with low charge on each layer are favored over configurations with few layers but with higher charge on each layer. The case in which the geometry is M2 ×S2 can also be analyzed.

A vacuum spark ion source: High charge state metal ion beams

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

Yushkov, G. Yu., E-mail: gyushkov@mail.ru; Nikolaev, A. G.; Frolova, V. P.

2016-02-15

High ion charge state is often important in ion beam physics, among other reasons for the very practical purpose that it leads to proportionately higher ion beam energy for fixed accelerating voltage. The ion charge state of metal ion beams can be increased by replacing a vacuum arc ion source by a vacuum spark ion source. Since the voltage between anode and cathode remains high in a spark discharge compared to the vacuum arc, higher metal ion charge states are generated which can then be extracted as an ion beam. The use of a spark of pulse duration less thanmore » 10 μs and with current up to 10 kA allows the production of ion beams with current of several amperes at a pulse repetition rate of up to 5 pps. We have demonstrated the formation of high charge state heavy ions (bismuth) of up to 15 + and a mean ion charge state of more than 10 +. The physics and techniques of our vacuum spark ion source are described.« less

Motorcycle helmet effectiveness in reducing head, face and brain injuries by state and helmet law.

PubMed

Olsen, Cody S; Thomas, Andrea M; Singleton, Michael; Gaichas, Anna M; Smith, Tracy J; Smith, Gary A; Peng, Justin; Bauer, Michael J; Qu, Ming; Yeager, Denise; Kerns, Timothy; Burch, Cynthia; Cook, Lawrence J

2016-12-01

Despite evidence that motorcycle helmets reduce morbidity and mortality, helmet laws and rates of helmet use vary by state in the U.S. We pooled data from eleven states: five with universal laws requiring all motorcyclists to wear a helmet, and six with partial laws requiring only a subset of motorcyclists to wear a helmet. Data were combined in the Crash Outcome Data Evaluation System's General Use Model and included motorcycle crash records probabilistically linked to emergency department and inpatient discharges for years 2005-2008. Medical outcomes were compared between partial and universal helmet law settings. We estimated adjusted relative risks (RR) and 95 % confidence intervals (CIs) for head, facial, traumatic brain, and moderate to severe head/facial injuries associated with helmet use within each helmet law setting using generalized log-binomial regression. Reported helmet use was higher in universal law states (88 % vs. 42 %). Median charges, adjusted for inflation and differences in state-incomes, were higher in partial law states (emergency department $1987 vs. $1443; inpatient $31,506 vs. $25,949). Injuries to the head and face, including traumatic brain injuries, were more common in partial law states. Effectiveness estimates of helmet use were higher in partial law states (adjusted-RR (CI) of head injury: 2.1 (1.9-2.2) partial law single vehicle; 1.4 (1.2, 1.6) universal law single vehicle; 1.8 (1.6-2.0) partial law multi-vehicle; 1.2 (1.1-1.4) universal law multi-vehicle). Medical charges and rates of head, facial, and brain injuries among motorcyclists were lower in universal law states. Helmets were effective in reducing injury in both helmet law settings; lower effectiveness estimates were observed in universal law states.

Motorcycle helmet effectiveness in reducing head, face and brain injuries by state and helmet law.

PubMed

Olsen, Cody S; Thomas, Andrea M; Singleton, Michael; Gaichas, Anna M; Smith, Tracy J; Smith, Gary A; Peng, Justin; Bauer, Michael J; Qu, Ming; Yeager, Denise; Kerns, Timothy; Burch, Cynthia; Cook, Lawrence J

Despite evidence that motorcycle helmets reduce morbidity and mortality, helmet laws and rates of helmet use vary by state in the U.S. We pooled data from eleven states: five with universal laws requiring all motorcyclists to wear a helmet, and six with partial laws requiring only a subset of motorcyclists to wear a helmet. Data were combined in the Crash Outcome Data Evaluation System's General Use Model and included motorcycle crash records probabilistically linked to emergency department and inpatient discharges for years 2005-2008. Medical outcomes were compared between partial and universal helmet law settings. We estimated adjusted relative risks (RR) and 95 % confidence intervals (CIs) for head, facial, traumatic brain, and moderate to severe head/facial injuries associated with helmet use within each helmet law setting using generalized log-binomial regression. Reported helmet use was higher in universal law states (88 % vs. 42 %). Median charges, adjusted for inflation and differences in state-incomes, were higher in partial law states (emergency department $1987 vs. $1443; inpatient $31,506 vs. $25,949). Injuries to the head and face, including traumatic brain injuries, were more common in partial law states. Effectiveness estimates of helmet use were higher in partial law states (adjusted-RR (CI) of head injury: 2.1 (1.9-2.2) partial law single vehicle; 1.4 (1.2, 1.6) universal law single vehicle; 1.8 (1.6-2.0) partial law multi-vehicle; 1.2 (1.1-1.4) universal law multi-vehicle). Medical charges and rates of head, facial, and brain injuries among motorcyclists were lower in universal law states. Helmets were effective in reducing injury in both helmet law settings; lower effectiveness estimates were observed in universal law states.

Topological States in Partially-PT -Symmetric Azimuthal Potentials

NASA Astrophysics Data System (ADS)

Kartashov, Yaroslav V.; Konotop, Vladimir V.; Torner, Lluis

2015-11-01

We introduce partially-parity-time (p PT ) -symmetric azimuthal potentials composed from individual PT -symmetric cells located on a ring, where two azimuthal directions are nonequivalent in a sense that in such potential excitations carrying topological dislocations exhibit different dynamics for different directions of energy circulation in the initial field distribution. Such nonconservative ratchetlike structures support rich families of stable vortex solitons in cubic nonlinear media, whose properties depend on the sign of the topological charge due to the nonequivalence of azimuthal directions. In contrast, oppositely charged vortex solitons remain equivalent in similar fully-P T -symmetric potentials. The vortex solitons in the p P T - and P T -symmetric potentials are shown to feature qualitatively different internal current distributions, which are described by different discrete rotation symmetries of the intensity profiles.

Effect of carbon spacer length on zwitterionic carboxybetaines.

PubMed

Shao, Qing; Jiang, Shaoyi

2013-02-07

Zwitterionic carboxybetaines (CBs) are ubiquitous in nature and considered promising materials for biological and chemical applications. A thorough understanding of the effect of carbon spacer length (CSL) on molecular properties is important. In this work, using molecular dynamics simulation and quantum chemical calculation, we investigated the effect of CSL on the molecular properties of CB molecules. The hydration number, structure, and dynamics of carboxylic and trimethyl ammonium groups were investigated and found to present different behaviors in regards to the variation of CSL. The simulation results with partial charges developed from quantum chemical calculations were compared with those with partial charges from the OPLS all atom (OPLSAA) force field. The hydration free energy of CB molecules and CB-Na(+) association was also studied as a function of CSL.

Simulation of the Reflected Blast Wave froma C-4 Charge

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

Howard, W M; Kuhl, A L; Tringe, J W

2011-08-01

The reflection of a blast wave from a C4 charge detonated above a planar surface is simulated with our ALE3D code. We used a finely-resolved, fixed Eulerian 2-D mesh (167 {micro}m per cell) to capture the detonation of the charge, the blast wave propagation in nitrogen, and its reflection from the surface. The thermodynamic properties of the detonation products and nitrogen were specified by the Cheetah code. A programmed-burn model was used to detonate the charge at a rate based on measured detonation velocities. Computed pressure histories are compared with pressures measured by Kistler 603B piezoelectric gauges at 8 rangesmore » (GR = 0, 2, 4, 8, 10, and 12 inches) along the reflecting surface. Computed and measured waveforms and positive-phase impulses were similar, except at close-in ranges (GR < 2 inches), which were dominated by jetting effects.« less

Simulation of the reflected blast wave from a C-4 charge

NASA Astrophysics Data System (ADS)

Howard, W. Michael; Kuhl, Allen L.; Tringe, Joseph

2012-03-01

The reflection of a blast wave from a C4 charge detonated above a planar surface is simulated with our ALE3D code. We used a finely-resolved, fixed Eulerian 2-D mesh (167 μm per cell) to capture the detonation of the charge, the blast wave propagation in nitrogen, and its reflection from the surface. The thermodynamic properties of the detonation products and nitrogen were specified by the Cheetah code. A programmed-burn model was used to detonate the charge at a rate based on measured detonation velocities. Computed pressure histories are compared with pressures measured by Kistler 603B piezoelectric gauges at 7 ranges (GR = 0, 5.08, 10.16, 15.24, 20.32, 25.4, and 30.48 cm) along the reflecting surface. Computed and measured waveforms and positive-phase impulses were similar, except at close-in ranges (GR < 5 cm), which were dominated by jetting effects.

Observation of a thermally enhanced magnetoresistance in NiFe

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

Cao, Y.; Feng, C., E-mail: fengchun@ustb.edu.cn, E-mail: ghyu@mater.ustb.edu.cn; Liu, D. X.

2016-04-15

A thermally enhanced magnetoresistance (ThMR) was designed and obtained by simultaneously applying charge and heat currents to a NiFe thin film. From the measurement we observed that the magnetoresistance value was as high as -22600% when the input charge current and applied temperature gradient was 0.966 μA and 2.5 °C/mm, respectively. This ThMR can be controllable by adjusting the relative values of the input charge and heat currents. On increasing the input charge current from 0.85 to 1.05 μA by fixing the temperature gradient at 2.5 °C/mm, the ThMR first increased from 9% to 183% and then decreased from -259%more » to -13%, at intervals of ∼0.96 μA. This can be explained by the spin-dependent transport phenomenon i.e., scattering induced sign difference between magnetoresistance and magnetothermopower in NiFe.« less

Pricing for Efficiency, Equity, and Simplicity: A Model Policy for an Interlibrary Courier Service.

ERIC Educational Resources Information Center

Gassler, Robert Scott

1985-01-01

Presents an example of a pricing policy for any interlibrary courier service which (1) calculates fixed, travelling, and stopping costs; (2) charges by how often the courier stops at each participating library; and (3) uses any subsidies for costs libraries cannot control. (CDD)

76 FR 59702 - Office of the Secretary

Federal Register 2010, 2011, 2012, 2013, 2014

2011-09-27

... DEPARTMENT OF HEALTH AND HUMAN SERVICES Office of the Secretary Notice of Interest Rate on Overdue... CFR part 30) provides that the Secretary shall charge an annual rate of interest, which is determined and fixed by the Secretary of the Treasury after considering private consumer rates of interest on the...

78 FR 14303 - Office of the Secretary

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-05

... DEPARTMENT OF HEALTH AND HUMAN SERVICES Office of the Secretary Notice of Interest Rate on Overdue... CFR part 30) provides that the Secretary shall charge an annual rate of interest, which is determined and fixed by the Secretary of the Treasury after considering private consumer rates of interest on the...

Quark–gluon plasma phenomenology from anisotropic lattice QCD

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

Skullerud, Jon-Ivar; Kelly, Aoife; Aarts, Gert

The FASTSUM collaboration has been carrying out simulations of N{sub f} = 2 + 1 QCD at nonzero temperature in the fixed-scale approach using anisotropic lattices. Here we present the status of these studies, including recent results for electrical conductivity and charge diffusion, and heavy quarkonium (charm and beauty) physics.

14 CFR 1261.409 - Contracting for collection services.

Code of Federal Regulations, 2010 CFR

2010-01-01

... regulations of the Internal Revenue Service; (3) The contractor must be required to account strictly for all... information upon returning an account to NASA for subsequent referral to the Department of Justice for... of a revolving fund authorized by statute. Accordingly, payment of the fixed-fee must be charged to...

Defining success in clinical trials--profiling pregabalin, the newest AED.

PubMed

Ryvlin, P

2005-11-01

The efficacy and safety of pregabalin as adjunctive therapy for patients with partial epilepsy with or without secondary generalization has been established by four randomized, 12-week, double-blind, placebo-controlled trials (n = 1396) and four long-term open-label studies (n = 1480). Patients in the three fixed-dose trials were >/=12 years of age, had >/=6 partial seizures and no 4-week seizure-free period during the 8-week baseline period. Seventy-three per cent of patients were taking >/=2 concomitant antiepileptic drugs. Responder rates across the effective doses (150-600 mg/day) ranged from 14% to 51% and demonstrated a significant dose-response relationship. The most common adverse events were central nervous system related, generally mild or moderate, transient, and tended to be dose related. The fourth placebo-controlled trial compared a fixed dose of pregabalin 600 mg/day with a flexible-dose regimen (150-600 mg/day). Responder rates were greater for both the fixed dose (45.3%, P < 0.001) and flexible dose (31.3%, P < 0.001) when compared with placebo (11.0%). Compared with the fixed-dose group, the flexible-dose patients had a lower incidence of adverse events and study discontinuations. In long-term open-label trials, the efficacy of pregabalin was maintained with respect to 50% responder rates suggesting no obvious tolerance developing over 2 years. Seizure-free rates were 8.9% and 5.8% for the last 6 months and 1 year of pregabalin treatment, respectively. Long-term open-label pregabalin treatment was well tolerated.

DNA condensation by partially acetylated poly(amido amine) dendrimers: effects of dendrimer charge density on complex formation.

PubMed

Yu, Shi; Li, Ming-Hsin; Choi, Seok Ki; Baker, James R; Larson, Ronald G

2013-09-03

The ability of poly(amido amine) (or PAMAM) dendrimers to condense semiflexible dsDNA and penetrate cell membranes gives them great potential in gene therapy and drug delivery but their high positive surface charge makes them cytotoxic. Here, we describe the effects of partial neutralization by acetylation on DNA condensation using light scattering, circular dichroism, and single molecule imaging of dendrimer-DNA complexes combed onto surfaces and tethered to those surfaces under flow. We find that DNA can be condensed by generation-five (G5) dendrimers even when the surface charges are more than 65% neutralized, but that such dendrimers bind negligibly when an end-tethered DNA is stretched in flow. We also find that when fully charged dendrimers are introduced by flow to end-tethered DNA, all DNA molecules become equally highly coated with dendrimers at a rate that becomes very fast at high dendrimer concentration, and that dendrimers remain bound during subsequent flow of dendrimer-free buffer. These results suggest that the presence of dendrimer-free DNA coexisting with dendrimer-bound DNA after bulk mixing of the two in solution may result from diffusion-limited irreversible dendrimer-DNA binding, rather than, or in addition to, the previously proposed cooperative binding mechanism of dendrimers to DNA.

Method development of enantiomer separations by affinity capillary electrophoresis, cyclodextrin electrokinetic chromatography and capillary electrophoresis-mass spectrometry.

PubMed

Tanaka, Yoshihide

2002-07-01

Capillary electrophoresis (CE) has become a powerful tool for enantiomer separations during the last decade. Since 1993, the author has investigated enantiomer separations by affinity capillary electrophoresis (affinity CE) with some proteins and by cyclodextrin electrokinetic chromatography (CDEKC) with some charged cyclodextrins (CDs). Many successful enantiomer separations are demonstrated from our study in this review article. In the enantiomer separations by affinity CE, the deterioration of detection sensitivity was observed under high concentration of the protein in running solutions. The partial filling technique was practically useful to solve the serious problem. It allowed operation at high protein concentrations, such as 500 mumol/L, without the detection problem. Charged CDs had several advantages for the enantiomer separations over neutral ones. Strong electrostatic interactions between a charged CD and oppositely charged analytes should be effective for the formation of the complex. A large difference in electrophoretic mobility between the free analyte and the inclusion complex should also enhance the enantiomeric resolution. In CE-mass spectrometry (CE-MS), the partial filling technique was applied to avoid the introduction of nonvolatile chiral selectors into the CE-MS interface. By replacing the nonvolatile electrolytes in the running buffer by volatile ones, the separation conditions employed in CE with the UV detection method could be transferred to CE-MS.

Energy storage devices for future hybrid electric vehicles

NASA Astrophysics Data System (ADS)

Karden, Eckhard; Ploumen, Servé; Fricke, Birger; Miller, Ted; Snyder, Kent

Powertrain hybridization as well as electrical energy management are imposing new requirements on electrical storage systems in vehicles. This paper characterizes the associated vehicle attributes and, in particular, the various levels of hybrids. New requirements for the electrical storage system are derived, including: shallow-cycle life, high dynamic charge acceptance particularly for regenerative braking and robust service life in sustained partial-state-of-charge usage. Lead/acid, either with liquid or absorptive glass-fibre mat electrolyte, is expected to remain the predominant battery technology for 14 V systems, including micro-hybrids, and with a cost-effective battery monitoring system for demanding applications. Advanced AGM batteries may be considered for mild or even medium hybrids once they have proven robustness under real-world conditions, particularly with respect to cycle life at partial-states-of-charge and dynamic charge acceptance. For the foreseeable future, NiMH and Li-ion are the dominating current and potential battery technologies for higher-functionality HEVs. Li-ion, currently at development and demonstration stages, offers attractive opportunities for improvements in performance and cost. Supercapacitors may be considered for pulse power applications. Aside from cell technologies, attention to the issue of system integration of the battery into the powertrain and vehicle is growing. Opportunities and challenges for potential "battery pack" system suppliers are discussed.

Interdisciplinary approach to enhance the esthetics of maxillary anterior region using soft- and hard-tissue ridge augmentation in conjunction with a fixed partial prosthesis.

PubMed

Khetarpal, Shaleen; Chouksey, Ajay; Bele, Anand; Vishnoi, Rahul

2018-01-01

Favorable esthetics is one of the most important treatment outcomes in dentistry, and to achieve this, interdisciplinary approaches are often required. Ridge deficiencies can be corrected for both, soft- and hard-tissue discrepancies. To overcome such defects, not only a variety of prosthetic options are at our disposal but also several periodontal plastic surgical techniques are available as well. Various techniques have been described and revised, over the year to correct ridge defects. For enhancing soft-tissue contours in the anterior region, the subepithelial connective tissue graft is the treatment of choice. A combination of alloplastic bone graft in adjunct to connective tissue graft optimizes ridge augmentation and minimizes defects. The present case report describes the use of vascular interpositional connective tissue graft in combination with alloplastic bone graft for correction of Seibert's Class III ridge deficiency followed by a fixed partial prosthesis to achieve a better esthetic outcome.

Interdisciplinary approach to enhance the esthetics of maxillary anterior region using soft- and hard-tissue ridge augmentation in conjunction with a fixed partial prosthesis

PubMed Central

Khetarpal, Shaleen; Chouksey, Ajay; Bele, Anand; Vishnoi, Rahul

2018-01-01

Favorable esthetics is one of the most important treatment outcomes in dentistry, and to achieve this, interdisciplinary approaches are often required. Ridge deficiencies can be corrected for both, soft- and hard-tissue discrepancies. To overcome such defects, not only a variety of prosthetic options are at our disposal but also several periodontal plastic surgical techniques are available as well. Various techniques have been described and revised, over the year to correct ridge defects. For enhancing soft-tissue contours in the anterior region, the subepithelial connective tissue graft is the treatment of choice. A combination of alloplastic bone graft in adjunct to connective tissue graft optimizes ridge augmentation and minimizes defects. The present case report describes the use of vascular interpositional connective tissue graft in combination with alloplastic bone graft for correction of Seibert's Class III ridge deficiency followed by a fixed partial prosthesis to achieve a better esthetic outcome. PMID:29568176

Post-combustion CO2 capture with activated carbons using fixed bed adsorption

NASA Astrophysics Data System (ADS)

Al Mesfer, Mohammed K.; Danish, Mohd; Fahmy, Yasser M.; Rashid, Md. Mamoon

2018-03-01

In the current work, the capturing of carbon dioxide from flue gases of post combustion emission using fixed bed adsorption has been carried out. Two grades of commercial activated carbon (sorbent-1 and sorbent-2) were used as adsorbent. Feed consisting of CO2 and N2 mixture was used for carrying out the adsorption. The influence of bed temperature, feed rate, equilibrium partial pressure and initial % CO2 in feed were considered for analyzing adsorption-desorption process. It was found that the total adsorption-desorption cycle time decreases with increased column temperature and feed rates. The time required to achieve the condition of bed saturation decreases with increased bed temperature and feed rates. The amount of CO2 adsorbed/Kg of the adsorbent declines with increased bed temperature with in studied range for sorbent-1 and sorbent-2. It was suggested that the adsorption capacity of the both the sorbents increases with increased partial pressure of the gas.

[Application of single-retainer all-ceramic resin-bonded fixed partial denture in replacing single anterior tooth].

PubMed

Lili, Yang; Debiao, Du; Ruoyu, Ning; Deying, Chen; Junling, Wu

2017-08-01

Objective In this study, we aimed to evaluate the clinical effect of single-retainer all-ceramic resin-bonded fixed partial denture (RBFPD) on the single anterior tooth loss patients. Methods A total of 20 single-retainer all-ceramic RBFPD
were fabricated and evaluated in a two-year follow-up observation. The restorations were examined on the basis of the American Public Health Association (APHA) criteria. Results A total of 20 single-retainer all-ceramic RBFPD achieved class A evaluation after a six-month follow-up observation. One single-retainer all-ceramic RBFPD was classified as class B for secondary caries after a one-year follow-up observation. After a two-year follow-up observation, one single-retainer all-ceramic RBFPD was classified as class B because of secondary caries, and one single-retainer all-ceramic RBFPD was classified as class B because of fracture. Conclusion Single-retainer all-ceramic RBFPD is a promising and optional method in replacing single anterior tooth.

[Computer aided design for fixed partial denture framework based on reverse engineering technology].

PubMed

Sun, Yu-chun; Lü, Pei-jun; Wang, Yong

2006-03-01

To explore a computer aided design (CAD) route for the framework of domestic fixed partial denture (FPD) and confirm the suitable method of 3-D CAD. The working area of a dentition model was scanned with a 3-D mechanical scanner. Using the reverse engineering (RE) software, margin and border curves were extracted and several reference curves were created to ensure the dimension and location of pontic framework that was taken from the standard database. The shoulder parts of the retainers were created after axial surfaces constructed. The connecting areas, axial line and curving surface of the framework connector were finally created. The framework of a three-unit FPD was designed with RE technology, which showed smooth surfaces and continuous contours. The design route is practical. The result of this study is significant in theory and practice, which will provide a reference for establishing the computer aided design/computer aided manufacture (CAD/CAM) system of domestic FPD.

Achieve efficient nitrogen removal from real sewage in a plug-flow integrated fixed-film activated sludge (IFAS) reactor via partial nitritation/anammox pathway.

PubMed

Yang, Yandong; Zhang, Liang; Cheng, Jun; Zhang, Shujun; Li, Baikun; Peng, Yongzhen

2017-09-01

This study tested the feasibility of plug-flow integrated fixed-film activated sludge (IFAS) reactor in applying sewage partial nitritation/anammox (PN/A) process. The IFAS reactor was fed with real pre-treated sewage (C/N ratio=1.3) and operated for 200days. High nitrogen removal efficiency of 82% was achieved with nitrogen removal rates of 0.097±0.019kgN/(m 3 ·d). Therefore, plug-flow IFAS reactor could be an alternative to applying sewage PN/A process. Besides, it was found that the stability of sewage PN/A process was significantly affected by residual ammonium. Nitrate accumulated in effluent and PN/A performance deteriorated when residual ammonium was below 1mg/L. On the contrary, long-term stable PN/A operation was achieved when residual ammonium was over 3mg/L. Copyright © 2017 Elsevier Ltd. All rights reserved.

Influence of type of prosthesis on oral environment and the number of missing teeth in elderly persons.

PubMed

Tanaka, Junko; Tanaka, Masahiro

2010-01-01

The purpose of this study was to investigate the relationship between the number of missing teeth (MT) and the statuses of oral environmental factors (the stimulated salivary flow rate, buffering capacity, and the counts of mutans streptococci, lactobacilli, and Candida) in the elderly. The subjects were 64 elderly subjects with fixed prostheses and 49 who wore removable partial dentures aged over 65 years. We used one-way ANOVA to test for overall differences of the number of MT among 5 oral environmental factors. The significant differences were observed in the lactobacilli counts for different number of MT. The number of MT increased with an increase in the lactobacilli counts with removable denture. In conclusion, for the patients wearing removable dentures, increasing number of MT was associated with an increase in the lactobacilli counts in saliva. For the patients with crowns and fixed partial dentures, the number of MT was not significantly affected by salivary mutans streptococci, lactobacilli, and Candida counts.

[Clinical study and pathological examination on the treatment of deep partial thickness burn wound with negative charge aerosol].

PubMed

Li, Tian-zeng; Xu, Ying-bin; Hu, Xiao-gen; Shen, Rui; Peng, Xiao-dong; Wu, Wei-jiang; Luo, Lan; Dai, Xin-ming; Zou, Yong-tong; Qi, Shao-hai; Wu, Li-ping; Xie, Ju-lin; Deng, Xiao-xin; Chen, E; Zhang, Hui-Zhen

2005-08-01

To investigate the effect of negative charge aerosol (NCA) on the treatment of burn wound. Patients with superficial or deep partial thickness burn only were enrolled in the study, and they were randomly divided into trial group (T, including 180 cases of superficial thickness burn and 100 cases of deep partial thickness burn), control group (C, including 30 cases with superficial thickness burn and 30 with deep partial thickness burn), and self control group (SC, including 10 cases with superficial thickness burn and 10 with deep partial thickness burn). The patients in T and SC groups were treated with NCA for 1.5 hours, 1-2 times a day, from 6 postburn hour (PBH) to 2 postburn day (PBD), while those in C group received conventional treatment. For those in SC group, some of the wounds were covered with sterile schissel, while other wounds without schissel covering. The general changes in the wounds during NCA treatment were observed, and bacterial culture before and after NCA treatment was performed. The healing time was recorded and the blood biochemical parameters were determined. Rat model with deep partial thickness scald was established, and the rats were also divided into T and C groups, and received treatment as in human. Tissue samples were harvested from the wounds of rats in the 2 groups before and 1, 2, 3 weeks after treatment for pathological examination. There was no infection and little exudation in the patients in T group. No bacteria were found in the wound before and after NCA treatment. The healing time of the wounds of patients with superficial and deep partial thickness burn in T group was 6.3 +/- 1.6 d and 15.1 +/- 3.1 d, respectively, which was obviously shorter than those in C group (11.3 +/- 1.4 d and 21.2 +/- 1.4 d, P < 0.01). In SC group, the healing time of those with sterile schissel coverage was also significantly shorter than those without covering (P < 0.01). There was no obvious change in the liver and kidney functions and blood biochemical parameters among the patients. Pathological examination showed that the skin structure was almost recovered in the rats in T group 3 weeks after treatment, while those in C group was not. Negative charge aerosol is safe and effective in promoting wound healing of the patients with partial thickness burns.

Micro-hybrid electric vehicle application of valve-regulated lead-acid batteries in absorbent glass mat technology: Testing a partial-state-of-charge operation strategy

NASA Astrophysics Data System (ADS)

Schaeck, S.; Stoermer, A. O.; Hockgeiger, E.

The BMW Group has launched two micro-hybrid functions in high volume models in order to contribute to reduction of fuel consumption in modern passenger cars. Both the brake energy regeneration (BER) and the auto-start-stop function (ASSF) are based on the conventional 14 V vehicle electrical system and current series components with only little modifications. An intelligent control algorithm of the alternator enables recuperative charging in braking and coasting phases, known as BER. By switching off the internal combustion engine at a vehicle standstill the idling fuel consumption is effectively reduced by ASSF. By reason of economy and package a lead-acid battery is used as electrochemical energy storage device. The BMW Group assembles valve-regulated lead-acid (VRLA) batteries in absorbent glass mat (AGM) technology in the micro-hybrid electrical power system since special challenges arise for the batteries. By field data analysis a lower average state-of-charge (SOC) due to partial state-of-charge (PSOC) operation and a higher cycling rate due to BER and ASSF are confirmed in this article. Similar to a design of experiment (DOE) like method we present a long-term lab investigation. Two types of 90 Ah VRLA AGM batteries are operated with a test bench profile that simulates the micro-hybrid vehicle electrical system under varying conditions. The main attention of this lab testing is focused on capacity loss and charge acceptance over cycle life. These effects are put into context with periodically refresh charging the batteries in order to prevent accelerated battery aging due to hard sulfation. We demonstrate the positive effect of refresh chargings concerning preservation of battery charge acceptance. Furthermore, we observe moderate capacity loss over 90 full cycles both at 25 °C and at 3 °C battery temperature.

High responsivity secondary ion energy analyzer

NASA Astrophysics Data System (ADS)

Belov, A. S.; Chermoshentsev, D. A.; Gavrilov, S. A.; Frolov, O. T.; Netchaeva, L. P.; Nikulin, E. S.; Zubets, V. N.

2018-05-01

The degree of space charge compensation of a 70 mA, 400 keV pulsed hydrogen ion beam has been measured with the use of an electrostatic energy analyzer of secondary ions. The large azimuthal angle of the analyzer enables a high responsivity, defined as the ratio of the slow secondary ion current emerging from the partially-compensated ion beam to the fast ion beam current. We measured 84% space charge compensation of the ion beam. The current from the slow ions and the rise time from the degree of space charge compensation were measured and compared with expected values.

Simulation of charge transport in micro and nanoscale FETs with elements having different dielectric properties

NASA Astrophysics Data System (ADS)

Blokhin, A. M.; Kruglova, E. A.; Semisalov, B. V.

2018-03-01

The hydrodynamical model is used for description of the process of charge transport in semiconductors with a high rate of reliability. It is a set of nonlinear partial differential equations with small parameters and specific conditions at the boundaries of field effect transistors (FETs), which essentially complicates the process of finding its stationary solutions. To overcome these difficulties in the case of FETs with elements having different dielectric properties, a fast pseudospectral method has been developed. This method was used for advanced numerical simulation of charge transport in DG-MOSFET.

Ab initio molecular dynamics simulations of low energy recoil events in MgO

NASA Astrophysics Data System (ADS)

Petersen, B. A.; Liu, B.; Weber, W. J.; Zhang, Y.

2017-04-01

Low-energy recoil events in MgO are studied using ab intio molecular dynamics simulations to reveal the dynamic displacement processes and final defect configurations. Threshold displacement energies, Ed, are obtained for Mg and O along three low-index crystallographic directions, [100], [110], and [111]. The minimum values for Ed are found along the [110] direction consisting of the same element, either Mg or O atoms. Minimum threshold values of 29.5 eV for Mg and 25.5 eV for O, respectively, are suggested from the calculations. For other directions, the threshold energies are considerably higher, 65.5 and 150.0 eV for O along [111] and [100], and 122.5 eV for Mg along both [111] and [100] directions, respectively. These results show that the recoil events in MgO are partial-charge transfer assisted processes where the charge transfer plays an important role. There is a similar trend found in other oxide materials, where the threshold displacement energy correlates linearly with the peak partial-charge transfer, suggesting this behavior might be universal in ceramic oxides.

Electronic Structure, Dielectric Response, and Surface Charge Distribution of RGD (1FUV) Peptide

PubMed Central

Adhikari, Puja; Wen, Amy M.; French, Roger H.; Parsegian, V. Adrian; Steinmetz, Nicole F.; Podgornik, Rudolf; Ching, Wai-Yim

2014-01-01

Long and short range molecular interactions govern molecular recognition and self-assembly of biological macromolecules. Microscopic parameters in the theories of these molecular interactions are either phenomenological or need to be calculated within a microscopic theory. We report a unified methodology for the ab initio quantum mechanical (QM) calculation that yields all the microscopic parameters, namely the partial charges as well as the frequency-dependent dielectric response function, that can then be taken as input for macroscopic theories of electrostatic, polar, and van der Waals-London dispersion intermolecular forces. We apply this methodology to obtain the electronic structure of the cyclic tripeptide RGD-4C (1FUV). This ab initio unified methodology yields the relevant parameters entering the long range interactions of biological macromolecules, providing accurate data for the partial charge distribution and the frequency-dependent dielectric response function of this peptide. These microscopic parameters determine the range and strength of the intricate intermolecular interactions between potential docking sites of the RGD-4C ligand and its integrin receptor. PMID:25001596

The electronegativity equalization method and the split charge equilibration applied to organic systems: parametrization, validation, and comparison.

PubMed

Verstraelen, Toon; Van Speybroeck, Veronique; Waroquier, Michel

2009-07-28

An extensive benchmark of the electronegativity equalization method (EEM) and the split charge equilibration (SQE) model on a very diverse set of organic molecules is presented. These models efficiently compute atomic partial charges and are used in the development of polarizable force fields. The predicted partial charges that depend on empirical parameters are calibrated to reproduce results from quantum mechanical calculations. Recently, SQE is presented as an extension of the EEM to obtain the correct size dependence of the molecular polarizability. In this work, 12 parametrization protocols are applied to each model and the optimal parameters are benchmarked systematically. The training data for the empirical parameters comprise of MP2/Aug-CC-pVDZ calculations on 500 organic molecules containing the elements H, C, N, O, F, S, Cl, and Br. These molecules have been selected by an ingenious and autonomous protocol from an initial set of almost 500,000 small organic molecules. It is clear that the SQE model outperforms the EEM in all benchmark assessments. When using Hirshfeld-I charges for the calibration, the SQE model optimally reproduces the molecular electrostatic potential from the ab initio calculations. Applications on chain molecules, i.e., alkanes, alkenes, and alpha alanine helices, confirm that the EEM gives rise to a divergent behavior for the polarizability, while the SQE model shows the correct trends. We conclude that the SQE model is an essential component of a polarizable force field, showing several advantages over the original EEM.

Prediction of potency of protease inhibitors using free energy simulations with polarizable quantum mechanics-based ligand charges and a hybrid water model.

PubMed

Das, Debananda; Koh, Yasuhiro; Tojo, Yasushi; Ghosh, Arun K; Mitsuya, Hiroaki

2009-12-01

Reliable and robust prediction of the binding affinity for drug molecules continues to be a daunting challenge. We simulated the binding interactions and free energy of binding of nine protease inhibitors (PIs) with wild-type and various mutant proteases by performing GBSA simulations in which each PI's partial charge was determined by quantum mechanics (QM) and the partial charge accounts for the polarization induced by the protease environment. We employed a hybrid solvation model that retains selected explicit water molecules in the protein with surface-generalized Born (SGB) implicit solvent. We examined the correlation of the free energy with the antiviral potency of PIs with regard to amino acid substitutions in protease. The GBSA free energy thus simulated showed strong correlations (r > 0.75) with antiviral IC(50) values of PIs when amino acid substitutions were present in the protease active site. We also simulated the binding free energy of PIs with P2-bis-tetrahydrofuranylurethane (bis-THF) or related cores, utilizing a bis-THF-containing protease crystal structure as a template. The free energy showed a strong correlation (r = 0.93) with experimentally determined anti-HIV-1 potency. The present data suggest that the presence of selected explicit water in protein and protein polarization-induced quantum charges for the inhibitor, compared to lack of explicit water and a static force-field-based charge model, can serve as an improved lead optimization tool and warrants further exploration.

Upper bound on the Abelian gauge coupling from asymptotic safety

NASA Astrophysics Data System (ADS)

Eichhorn, Astrid; Versteegen, Fleur

2018-01-01

We explore the impact of asymptotically safe quantum gravity on the Abelian gauge coupling in a model including a charged scalar, confirming indications that asymptotically safe quantum fluctuations of gravity could trigger a power-law running towards a free fixed point for the gauge coupling above the Planck scale. Simultaneously, quantum gravity fluctuations balance against matter fluctuations to generate an interacting fixed point, which acts as a boundary of the basin of attraction of the free fixed point. This enforces an upper bound on the infrared value of the Abelian gauge coupling. In the regime of gravity couplings which in our approximation also allows for a prediction of the top quark and Higgs mass close to the experimental value [1], we obtain an upper bound approximately 35% above the infrared value of the hypercharge coupling in the Standard Model.

Electromagnetic instabilities in solar wind interaction with dusty cometary plasmas

NASA Technical Reports Server (NTRS)

Verheest, Frank; Meuris, Peter

1995-01-01

Dusty plasmas contain charged dust grains which are much more massive than protons, carry high negative charges due to preferential capture of electrons, and do not have a fixed charge. Fluctuations in the grain charges due to liberation or capture of additional electrons and protons translate as mass and momentum losses or gains for these species, which can render linear modes unstable. On the other hand, many authors have addressed the pickup of ions of cometary origin by the solar wind, which for the parallel part is due to relative streaming between cometary and solar wind ions which excites low-frequency electromagnetic turbulence. In the present work we look again at those instabilities by including effects due to the presence of charged dust in the cometary environments. We have investigated several frequency regimes: nonresonant below the cometary watergroup gyrofrequency, nonresonant below the cometary charged dust gyrofrequency (new and interesting but highly unlikely!) and resonant with the cometary watergroup ions. For most parameter ranges either the existing instabilities are enhanced, showing that the presence of charged dust facilitates the cometary ion pickup by the solar wind, or new instabilities have been shown to exist. Similar conclusions might be relevant for other kinds of astrophysical and heliospheric plasmas containing charged dust, as in planetary rings.

Lightning Charge Retrievals: Dimensional Reduction, LDAR Constraints, and a First Comparison w/ LIS Satellite Data

NASA Technical Reports Server (NTRS)

Koshak, William; Krider, E. Philip; Murray, Natalie; Boccippio, Dennis

2007-01-01

A "dimensional reduction" (DR) method is introduced for analyzing lightning field changes whereby the number of unknowns in a discrete two-charge model is reduced from the standard eight to just four. The four unknowns are found by performing a numerical minimization of a chi-squared goodness-of-fit function. At each step of the minimization, an Overdetermined Fixed Matrix (OFM) method is used to immediately retrieve the best "residual source". In this way, all 8 parameters are found, yet a numerical search of only 4 parameters is required. The inversion method is applied to the understanding of lightning charge retrievals. The accuracy of the DR method has been assessed by comparing retrievals with data provided by the Lightning Detection And Ranging (LDAR) instrument. Because lightning effectively deposits charge within thundercloud charge centers and because LDAR traces the geometrical development of the lightning channel with high precision, the LDAR data provides an ideal constraint for finding the best model charge solutions. In particular, LDAR data can be used to help determine both the horizontal and vertical positions of the model charges, thereby eliminating dipole ambiguities. The results of the LDAR-constrained charge retrieval method have been compared to the locations of optical pulses/flash locations detected by the Lightning Imaging Sensor (LIS).

Treatment planning of implants in posterior quadrants.

PubMed

Jivraj, S; Chee, W

2006-07-08

Differences in anatomy and biomechanics make treatment of posterior quadrants with dental implants substantially different to that of anterior areas. Without implants, when posterior teeth were lost, treatment options included a long span fixed partial denture or a removable prosthesis, especially when no terminal abutment was available. Today, with the use of implants, options are available that allow preservation of unrestored teeth.(1) When teeth are missing, implant supported restorations can be considered the treatment of choice from the perspective of occlusal support, preservation of adjacent teeth and avoidance of a removable partial denture.

Interplay of charge clustering and weak binding in reactions of 8Li

NASA Astrophysics Data System (ADS)

Cook, K. J.; Carter, I. P.; Simpson, E. C.; Dasgupta, M.; Hinde, D. J.; Bezzina, L. T.; Kalkal, Sunil; Sengupta, C.; Simenel, C.; Swinton-Bland, B. M. A.; Vo-Phuoc, K.; Williams, E.

2018-02-01

In collisions of light, stable, weakly bound nuclides, complete fusion (capture of all of the projectile charge) has been found to be suppressed by ˜30 % at above-barrier energies. This is thought to be related to their low thresholds for breakup into charged clusters. The observation of fusion suppression in the neutron-rich radioactive nucleus 8Li is therefore puzzling: the lowest breakup threshold yields 7Li+n which cannot contribute to fusion suppression because 7Li retains all the projectile charge. In this work, the full characteristics of 8Li breakup in reactions with 209Bi are presented, including, for the first time, coincidence measurements of breakup into charged clusters. Correlations of cluster fragments show that most breakup occurs too slowly to significantly suppress fusion. However, a large cross section for unaccompanied α particles was found, suggesting that charge clustering, facilitating partial charge capture, rather than weak binding is the crucial factor in fusion suppression, which may therefore persist in exotic nuclides.

Charged particle multiplicities in deep inelastic scattering at HERA

NASA Astrophysics Data System (ADS)

Aid, S.; Anderson, M.; Andreev, V.; Andrieu, B.; Appuhn, R.-D.; Babaev, A.; Bähr, J.; Bán, J.; Ban, Y.; Baranov, P.; Barrelet, E.; Barschke, R.; Bartel, W.; Barth, M.; Bassler, U.; Beck, H. P.; Behrend, H.-J.; Belousov, A.; Berger, Ch.; Bernardi, G.; Bertrand-Coremans, G.; Besançon, M.; Beyer, R.; Biddulph, P.; Bispham, P.; Bizot, J. C.; Blobel, V.; Borras, K.; Botterweck, F.; Boudry, V.; Braemer, A.; Braunschweig, W.; Brisson, V.; Bruel, P.; Bruncko, D.; Brune, C.; Buchholz, R.; Büngener, L.; Bürger, J.; Büsser, F. W.; Buniatian, A.; Burke, S.; Burton, M. J.; Calvet, D.; Campbell, A. J.; Carli, T.; Charlet, M.; Clarke, D.; Clegg, A. B.; Clerbaux, B.; Cocks, S.; Contreras, J. G.; Cormack, C.; Coughlan, J. A.; Courau, A.; Cousinou, M.-C.; Cozzika, G.; Criegee, L.; Cussans, D. G.; Cvach, J.; Dagoret, S.; Dainton, J. B.; Dau, W. D.; Daum, K.; David, M.; Davis, C. L.; Delcourt, B.; de Roeck, A.; de Wolf, E. A.; Dirkmann, M.; Dixon, P.; di Nezza, P.; Dlugosz, W.; Dollfus, C.; Dowell, J. D.; Dreis, H. B.; Droutskoi, A.; Dünger, O.; Duhm, H.; Ebert, J.; Ebert, T. R.; Eckerlin, G.; Efremenko, V.; Egli, S.; Eichler, R.; Eisele, F.; Eisenhandler, E.; Elsen, E.; Erdmann, M.; Erdmann, W.; Evrard, E.; Fahr, A. B.; Favart, L.; Fedotov, A.; Feeken, D.; Felst, R.; Feltesse, J.; Ferencei, J.; Ferrarotto, F.; Flamm, K.; Fleischer, M.; Flieser, M.; Flügge, G.; Fomenko, A.; Fominykh, B.; Formánek, J.; Foster, J. M.; Franke, G.; Fretwurst, E.; Gabathuler, E.; Gabathuler, K.; Gaede, F.; Garvey, J.; Gayler, J.; Gebauer, M.; Genzel, H.; Gerhards, R.; Glazov, A.; Goerlach, U.; Goerlich, L.; Gogitidze, N.; Goldberg, M.; Goldner, D.; Golec-Biernat, K.; Gonzalez-Pineiro, B.; Gorelov, I.; Grab, C.; Grässler, H.; Greenshaw, T.; Griffiths, R. K.; Grindhammer, G.; Gruber, A.; Gruber, C.; Haack, J.; Hadig, T.; Haidt, D.; Hajduk, L.; Hampel, M.; Haynes, W. J.; Heinzelmann, G.; Henderson, R. C. W.; Henschel, H.; Herynek, I.; Hess, M. F.; Hewitt, K.; Hildesheim, W.; Hiller, K. H.; Hilton, C. D.; Hladký, J.; Hoeger, K. C.; Höppner, M.; Hoffmann, D.; Holtom, T.; Horisberger, R.; Hudgson, V. L.; Hütte, M.; Ibbotson, M.; Itterbeck, H.; Jacholkowska, A.; Jacobsson, C.; Jaffre, M.; Janoth, J.; Jansen, T.; Jönsson, L.; Johnson, D. P.; Jung, H.; Kalmus, P. I. P.; Kander, M.; Kant, D.; Kaschowitz, R.; Kathage, U.; Katzy, J.; Kaufmann, H. H.; Kaufmann, O.; Kazarian, S.; Kenyon, I. R.; Kermiche, S.; Keuker, C.; Kiesling, C.; Klein, M.; Kleinwort, C.; Knies, G.; Köhler, T.; Köhne, J. H.; Kolanoski, H.; Kole, F.; Kolya, S. D.; Korbel, V.; Korn, M.; Kostka, P.; Kotelnikov, S. K.; Krämerkämper, T.; Krasny, M. W.; Krehbiel, H.; Krücker, D.; Küster, H.; Kuhlen, M.; Kurča, T.; Kurzhöfer, J.; Lacour, D.; Laforge, B.; Lander, R.; Landon, M. P. J.; Lange, W.; Langenegger, U.; Laporte, J.-F.; Lebedev, A.; Lehner, F.; Levonian, S.; Lindström, G.; Lindstroem, M.; Link, J.; Linsel, F.; Lipinski, J.; List, B.; Lobo, G.; Lomas, J. W.; Lopez, G. C.; Lubimov, V.; Lüke, D.; Magnussen, N.; Malinovski, E.; Mani, S.; Maraček, R.; Marage, P.; Marks, J.; Marshall, R.; Martens, J.; Martin, G.; Martin, R.; Martyn, H.-U.; Martyniak, J.; Mavroidis, T.; Maxfield, S. J.; McMahon, S. J.; Mehta, A.; Meier, K.; Meyer, A.; Meyer, A.; Meyer, H.; Meyer, J.; Meyer, P.-O.; Migliori, A.; Mikocki, S.; Milstead, D.; Moeck, J.; Moreau, F.; Morris, J. V.; Mroczko, E.; Müller, D.; Müller, G.; Müller, K.; Müller, M.; Murín, P.; Nagovizin, V.; Nahnhauer, R.; Naroska, B.; Naumann, Th.; Négri, I.; Newman, P. R.; Newton, D.; Nguyen, H. K.; Nicholls, T. C.; Niebergall, F.; Niebuhr, C.; Niedzballa, Ch.; Niggli, H.; Nisius, R.; Nowak, G.; Noyes, G. W.; Nyberg-Werther, M.; Oakden, M.; Oberlack, H.; Olsson, J. E.; Ozerov, D.; Palmen, P.; Panaro, E.; Panitch, A.; Pascaud, C.; Patel, G. D.; Pawletta, H.; Peppel, E.; Perez, E.; Phillips, J. P.; Pieuchot, A.; Pitzl, D.; Pope, G.; Prell, S.; Rabbertz, K.; Rädel, G.; Reimer, P.; Reinshagen, S.; Rick, H.; Riech, V.; Riedlberger, J.; Riepenhausen, F.; Riess, S.; Rizvi, E.; Robertson, S. M.; Robmann, P.; Roloff, H. E.; Roosen, R.; Rosenbauer, K.; Rostovtsev, A.; Rouse, F.; Royon, C.; Rüter, K.; Rusakov, S.; Rybicki, K.; Sankey, D. P. C.; Schacht, P.; Schiek, S.; Schleif, S.; Schleper, P.; von Schlippe, W.; Schmidt, D.; Schmidt, G.; Schöning, A.; Schröder, V.; Schuhmann, E.; Schwab, B.; Sefkow, F.; Seidel, M.; Sell, R.; Semenov, A.; Shekelyan, V.; Sheviakov, I.; Shtarkov, L. N.; Siegmon, G.; Siewert, U.; Sirois, Y.; Skillicorn, I. O.; Smirnov, P.; Smith, J. R.; Solochenko, V.; Soloviev, Y.; Specka, A.; Spiekermann, J.; Spielman, S.; Spitzer, H.; Squinabol, F.; Steenbock, M.; Steffen, P.; Steinberg, R.; Steiner, H.; Steinhart, J.; Stella, B.; Stellberger, A.; Stier, J.; Stiewe, J.; Stößlein, U.; Stolze, K.; Straumann, U.; Struczinski, W.; Sutton, J. P.; Tapprogge, S.; Taševský, M.; Tchernyshov, V.; Tchetchelnitski, S.; Theissen, J.; Thiebaux, C.; Thompson, G.; Truöl, P.; Tsipolitis, G.; Turnau, J.; Tutas, J.; Uelkes, P.; Usik, A.; Valkár, S.; Valkárová, A.; Vallée, C.; Vandenplas, D.; van Esch, P.; van Mechelen, P.; Vazdik, Y.; Verrecchia, P.; Villet, G.; Wacker, K.; Wagener, A.; Wagener, M.; Walther, A.; Waugh, B.; Weber, G.; Weber, M.; Wegener, D.; Wegner, A.; Wengler, T.; Werner, M.; West, L. R.; Wilksen, T.; Willard, S.; Winde, M.; Winter, G.-G.; Wittek, C.; Wobisch, M.; Wünsch, E.; Žáček, J.; Zarbock, D.; Zhang, Z.; Zhokin, A.; Zini, P.; Zomer, F.; Zsembery, J.; Zuber, K.; Zurnedden, M.

1996-12-01

Using the H1 detector at HERA, charged particle multiplicity distributions in deep inelastic e + p scattering have been measured over a large kinematical region. The evolution with W and Q 2 of the multiplicity distribution and of the multiplicity moments in pseudorapidity domains of varying size is studied in the current fragmentation region of the hadronic centre-of-mass frame. The results are compared with data from fixed target lepton-nucleon interactions, e + e - annihilations and hadron-hadron collisions as well as with expectations from QCD based parton models. Fits to the Negative Binomial and Lognormal distributions are presented.

Zero-energy state in graphene in a high magnetic field.

PubMed

Checkelsky, Joseph G; Li, Lu; Ong, N P

2008-05-23

The fate of the charge-neutral Dirac point in graphene in a high magnetic field H has been investigated at low temperatures (T approximately 0.3 K). In samples with small gate-voltage offset V0, the resistance R0 at the Dirac point diverges steeply with H, signaling a crossover to a state with a very large R0. The approach to this state is highly unusual. Despite the steep divergence in R0, the profile of R0 vs T in fixed H saturates to a T-independent value below 2 K, consistent with gapless charge-carrying excitations.

Almucantar radio telescope report 1: A preliminary study of the capabilities of large partially steerable paraboloidal antennas

NASA Technical Reports Server (NTRS)

Usher, P. D.

1971-01-01

The almucantar radio telescope development and characteristics are presented. The radio telescope consists of a paraboloidal reflector free to rotate in azimuth but limited in altitude between two fixed angles from the zenith. The fixed angles are designed to provide the capability where sources lying between two small circles parallel with the horizon (almucantars) are accessible at any one instant. Basic geometrical considerations in the almucantar design are presented. The capabilities of the almucantar telescope for source counting and for monitoring which are essential to a resolution of the cosmological problem are described.

Effect of the quartic gradient terms on the critical exponents of the Wilson-Fisher fixed point in O(N) models

NASA Astrophysics Data System (ADS)

Péli, Zoltán; Nagy, Sándor; Sailer, Kornel

2018-02-01

The effect of the O(partial4) terms of the gradient expansion on the anomalous dimension η and the correlation length's critical exponent ν of the Wilson-Fisher fixed point has been determined for the Euclidean 3-dimensional O( N) models with N≥ 2 . Wetterich's effective average action renormalization group method is used with field-independent derivative couplings and Litim's optimized regulator. It is shown that the critical theory is well approximated by the effective average action preserving O( N) symmetry with an accuracy of O(η).

Student Performance in Measuring Distance with Wavelengths in Various Settings

NASA Astrophysics Data System (ADS)

White, Gary

2015-04-01

When physics students are asked to measure the distance between two fixed locations using a pre-defined wavelength as a ruler, there is a surprising failure rate, at least partially due to the fact that the ``ruler'' to be used is not fixed in length (see ``Is a Simple Measurement Task a Roadblock to Student Understanding of Wave Phenomena?,'' by and references therein). I will show some data from introductory classes (algebra- and calculus-based) that replicate this result, and also show some interesting features when comparing a setting involving slinkies with a setting involving surface waves on water.

Measuring factor IX activity of nonacog beta pegol with commercially available one-stage clotting and chromogenic assay kits: a two-center study.

PubMed

Bowyer, A E; Hillarp, A; Ezban, M; Persson, P; Kitchen, S

2016-07-01

Essentials Validated assays are required to precisely measure factor IX (FIX) activity in FIX products. N9-GP and two other FIX products were assessed in various coagulation assay systems at two sites. Large variations in FIX activity measurements were observed for N9-GP using some assays. One-stage and chromogenic assays accurately measuring FIX activity for N9-GP were identified. Background Measurement of factor IX activity (FIX:C) with activated partial thromboplastin time-based one-stage clotting assays is associated with a large degree of interlaboratory variation in samples containing glycoPEGylated recombinant FIX (rFIX), i.e. nonacog beta pegol (N9-GP). Validation and qualification of specific assays and conditions are necessary for the accurate assessment of FIX:C in samples containing N9-GP. Objectives To assess the accuracy of various one-stage clotting and chromogenic assays for measuring FIX:C in samples containing N9-GP as compared with samples containing rFIX or plasma-derived FIX (pdFIX) across two laboratory sites. Methods FIX:C, in severe hemophilia B plasma spiked with a range of concentrations (from very low, i.e. 0.03 IU mL(-1) , to high, i.e. 0.90 IU mL(-1) ) of N9-GP, rFIX (BeneFIX), and pdFIX (Mononine), was determined at two laboratory sites with 10 commercially available one-stage clotting assays and two chromogenic FIX:C assays. Assays were performed with a plasma calibrator and different analyzers. Results A high degree of variation in FIX:C measurement was observed for one-stage clotting assays for N9-GP as compared with rFIX or pdFIX. Acceptable N9-GP recovery was observed in the low-concentration to high-concentration samples tested with one-stage clotting assays using SynthAFax or DG Synth, or with chromogenic FIX:C assays. Similar patterns of FIX:C measurement were observed at both laboratory sites, with minor differences probably being attributable to the use of different analyzers. Conclusions These results suggest that, of the reagents tested, FIX:C in N9-GP-containing plasma samples can be most accurately measured with one-stage clotting assays using SynthAFax or DG Synth, or with chromogenic FIX:C assays. © 2016 International Society on Thrombosis and Haemostasis.

The Role of Partial Surface Charge Compensation in the Properties of Ferroelectric and Antiferroelectric Thin Films

NASA Astrophysics Data System (ADS)

Swedberg, Elena

Ferroelectric and antiferroelectric ultrathin films have attracted a lot of attention recently due to their remarkable properties and their potential to allow for device miniaturization in numerous applications. However, when the ferroelectric films are scaled down, it brings about an unavoidable depolarizing field. A partial surface charge compensation allows to control the residual depolarizing field and manipulate the properties of ultrathin ferroelectric films. In this dissertation we take advantage of atomistic first-principles-based simulations to expand our understanding of the role of the partial surface charge compensation in the properties of ferroelectric and antiferroelectric ultrathin films. The application of our computational methodology to study the effect of the partial surface charge compensation in ferroelectric ultrathin films led to the prediction that, depending on the quality of the surface charge compensation, ferroelectric thin films respond to an electric field in a qualitatively different manner. They can be tuned to behave like a linear dielectric, a ferroelectric or even an antiferroelectric. This effect was shown to exist in films with different mechanical boundary conditions and different crystal symmetries. There are a number of potential applications where such properties of ferroelectric thin films can be used. One of these potential applications is energy storage. We will show that, in the antiferroelectric regime, ferroelectric thin films exhibit drastic enhancement of energy storage density which is a desirable property. One of the most promising applications of ferroelectric ultrathin films that emerged only recently is the harvesting of the giant electrocaloric effect. Interestingly, despite numerous studies of the electrocaloric effect in ferroelectric thin films, it is presently unknown how a residual depolarizing field affects the electrocaloric properties of such films. Application of state-of-the-art computational methods to investigate the electrocaloric effect in ferroelectric films with partial surface charge compensation led to the prediction that the residual depolarizing field can perform a dual role in the electrocaloric effect in these films. When the depolarizing field creates competition between the monodomain and nanodomain states, we predict an enhancement of the electrocaloric effect due to the frustration that increases the entropy of the state and therefore the electrocaloric temperature change. On the other hand, when the depolarizing field leads to a formation of nanodomains, thin films either exhibit a small electrocaloric effect or lose their electrocaloric properties altogether to the irreversible nanodomain motion. When the residual depolarizing field is weak enough to permit the formation of monodomain phases, the electrocaloric effect is significantly reduced as compared to bulk. We believe that our findings could potentially reveal additional opportunities to optimize solid state cooling technology. While the electrocaloric effect has been a popular topic of interest in recent years [12], there still exists numerous gaps in the fundamental understanding of the effect. In particular, it is presently unknown whether the scaling laws, known to exist for magnetocaloric materials, can be applied to ferroelectric and antiferroelectric electrocalorics. We predict the existence of scaling laws for low-field electrocaloric temperature change in antiferroelectric and ferroelectric materials. With the help of first-principles-based simulations, we showed computationally that the scaling laws exist for antiferroelectric PbZrO3 along with ferroelectrics PbTiO3, BaTiO 3 and KNbO3. Additional evidence of the scaling laws existence are provided using experimental data from the literature. Interestingly, our studies on ferroelectric films predicted the existence of antiferroelectric behavior in ultrathin films with partial surface charge compensation. One may wonder whether it is possible to stabilize the ferroelectric phase in antiferroelectric films and what role the surface charge screening would play in such a transition. Motivated to address these fundamental questions, we used computational experiments to study antiferroelectric ultrathin films with a residual depolarizing field. Our studies led to the following predictions. We found that PbZrO3 thin films exhibit the ferroelectric phase upon scaling down and under the condition of efficient surface charge compensation. We also found a strong competition between the antiferroelectric and ferroelectric phases for the thin films of the critical size associated with antiferroelectric-ferroelectric phase transition. This finding motivated us to study the electrocaloric effect in PbZrO3 thin films with antiferroelectric-ferroelectric phase competition. We found that high tunability of the phase transition by the electric field leads to a wide range of temperatures associated with a strong electrocaloric effect. In addition, we found that epitaxial strain provides further tunability to the electrocaloric properties. In summary, our studies led to a broader and deeper understanding of the abundantly many roles surface charge compensation plays in ultrathin ferroelectrics and antiferroelectrics.

The low-energy, charge-transfer excited states of 4-amino-4-prime-nitrodiphenyl sulfide

NASA Technical Reports Server (NTRS)

O'Connor, Donald B.; Scott, Gary W.; Tran, Kim; Coulter, Daniel R.; Miskowski, Vincent M.; Stiegman, Albert E.; Wnek, Gary E.

1992-01-01

Absorption and emission spectra of 4-amino-4-prime-nitrodiphenyl sulfide in polar and nonpolar solvents were used to characterize and assign the low-energy excited states of the molecule. Fluorescence-excitation anisotropy spectra and fluorescence quantum yields were also used to characterize the photophysics of these states. The lowest-energy fluorescent singlet state was determined to be an intramolecular charge transfer (ICT) state involving transfer of a full electron charge from the amino to the nitro group yielding a dipole moment of about 50 D. A low-energy, intense absorption band is assigned as a transition to a different ICT state involving a partial electron charge transfer from sulfur to the nitro group.

Control of Screening of a Charged Particle in Electrolytic Aqueous Paul Trap

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

Park, Jae Hyun nmn; Krstic, Predrag S

2011-01-01

Individual charged particles could be trapped and confined in the combined radio-frequency and DC quadrupole electric field of an aqueous Paul trap. Viscosity of water improves confinement and extends the range of the trap parameters which characterize the stability of the trap. Electrolyte, if present in aqueous solution, may screen the charged particle and thus partially or fully suppress electrophoretic interaction with the applied filed, possibly reducing it to a generally much weaker dielectrophoretic interaction with an induced dipole. Applying molecular dynamics simulation we show that the quadrupole field has a different affects at the electrolyte ions and at muchmore » heavier charged particle, effectively eliminating the screening effect and reinstating the electrophoretic confinement.« less

Control Of Screening Of A Charged Particle In Electrolytic Aqueous Paul Trap

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

Park, Jae Hyun; Krstic, Predrag S.

2011-06-01

Individual charged particles could be trapped and confined by the combined radio-frequency and DC quadrupole electric field of an aqueous Paul trap. Viscosity of water improves confinement and extends the range of the trap parameters which characterize the stability of the trap. Electrolyte, if present in aqueous solution, may screen the charged particle and thus partially or fully suppress electrophoretic interaction with the applied filed, possibly reducing it to a generally much weaker dielectrophoretic interaction with an induced dipole. Applying molecular dynamics simulation we show that the quadrupole field has a different effect at the electrolyte ions and at muchmore » heavier charged particle, effectively eliminating the screening by electrolyte ions and reinstating the electrophoretic confinement.« less

Clinical and Radiographic Assessment of Reasons for Replacement of Metal- Ceramic Fixed Dental Prostheses in Patients Referring to Dental School.

PubMed

Al Refai, Roa'a; Saker, Samah

2018-01-01

The expected length of service and reasons for fixed dental prostheses (FDPs) replacement are a frequent inquiry by patients while the answers were mainly based on studies reports that was conducted outside the middle east region. This clinical and radiographic survey was constructed to assess and survey clinically and radiographically the reasons of replacement of metal-ceramic fixed dental prostheses, amongst patients reporting at dental school in Taibah University. Between January and May 2016, 151 patients were recruited for this study. Interview (include questions pertained to the length of service of the prosthesis, the nature of complaint as told by patient in her own words), clinical examination, intra-oral photographs, and periapical radiographs, were done by the researchers. The parameters assessed were secondary caries, open margins, loss of retention, failure of endodontic treatment of the abutment and periodontal diseases. A total number of 249 failed fixed dental prostheses were evaluated. Of which 180 (39.7%) were single crowns, 159 (35.0%) were retainers and 117 (25.8%) were pontics in 69 fixed partial denture. The most common reason for replacement of fixed restorations was periodontal diseases affecting 92.8% of all types' restorations, followed by defective margin in 90.4% of examined restoration, poor aesthetic in 88% of restorations, while periapical involvement was found in 85.5% of fixed dental prosthesis. The survival rates of fixed prostheses were not predictable, and no association was found between number of years in service and the number of restorations. The most common reasons for replacing single unit fixed dental prostheses are periodontal diseases and periapical involvement, while defective margins and poor aesthetic mainly associated with multi-unit fixed dental prostheses. Key words: Failure, Fixed dental prosthesis, Survival, Replacement.

Weather Impact on Airport Arrival Meter Fix Throughput

NASA Technical Reports Server (NTRS)

Wang, Yao

2017-01-01

Time-based flow management provides arrival aircraft schedules based on arrival airport conditions, airport capacity, required spacing, and weather conditions. In order to meet a scheduled time at which arrival aircraft can cross an airport arrival meter fix prior to entering the airport terminal airspace, air traffic controllers make regulations on air traffic. Severe weather may create an airport arrival bottleneck if one or more of airport arrival meter fixes are partially or completely blocked by the weather and the arrival demand has not been reduced accordingly. Under these conditions, aircraft are frequently being put in holding patterns until they can be rerouted. A model that predicts the weather impacted meter fix throughput may help air traffic controllers direct arrival flows into the airport more efficiently, minimizing arrival meter fix congestion. This paper presents an analysis of air traffic flows across arrival meter fixes at the Newark Liberty International Airport (EWR). Several scenarios of weather impacted EWR arrival fix flows are described. Furthermore, multiple linear regression and regression tree ensemble learning approaches for translating multiple sector Weather Impacted Traffic Indexes (WITI) to EWR arrival meter fix throughputs are examined. These weather translation models are developed and validated using the EWR arrival flight and weather data for the period of April-September in 2014. This study also compares the performance of the regression tree ensemble with traditional multiple linear regression models for estimating the weather impacted throughputs at each of the EWR arrival meter fixes. For all meter fixes investigated, the results from the regression tree ensemble weather translation models show a stronger correlation between model outputs and observed meter fix throughputs than that produced from multiple linear regression method.

Störmer method for a problem of point injection of charged particles into a magnetic dipole field

NASA Astrophysics Data System (ADS)

Kolesnikov, E. K.

2017-03-01

The problem of point injection of charged particles into a magnetic dipole field was considered. Analytical expressions were obtained by the Störmer method for regions of allowed pulses of charged particles at random points of a dipole field at a set position of the point source of particles. It was found that, for a fixed location of the studied point, there was a specific structure of the coordinate space in the form of a set of seven regions, where the injector location in each region corresponded to a definite form of an allowed pulse region at the studied point. It was shown that the allowed region boundaries in four of the mentioned regions were surfaces of conic section revolution.

Suture versus FasT-Fix all-inside meniscus repair at time of anterior cruciate ligament reconstruction.

PubMed

Choi, Nam-Hong; Kim, Byeong-Yeon; Hwang Bo, Byung-Hun; Victoroff, Brian N

2014-10-01

To compare meniscal healing and functional outcomes after all-inside meniscal repair between sutures and meniscal fixation devices. Sixty patients with a tear within the red-red or red-white zones of the posterior horn of the medial or lateral meniscus in conjunction with an anterior cruciate ligament (ACL) tear were included in this study. Meniscal repairs were performed with sutures in 35 patients and the FasT-Fix device (Smith & Nephew Endoscopy, Andover, MA) in 25 patients concomitantly with hamstring ACL reconstruction. Postoperative evaluations included Lysholm knee score, Tegner activity scale, Lachman and pivot-shift tests, and KT-1000 arthrometer (MEDmetric, San Diego, CA) testing. Follow-up magnetic resonance imaging (MRI) scans were obtained postoperatively for all patients to evaluate meniscal healing. The mean follow-up period was 47.2 months. In the suture group, 31 patients (86.1%) were asymptomatic and 4 (13.9%) were symptomatic. In the FasT-Fix group, 20 patients (80%) were asymptomatic and 5 (20%) were symptomatic. Postoperative functional evaluation and knee stability showed no statistically significant difference between the 2 groups. Follow-up MRI showed that 26 menisci (74.3%) were healed, 3 menisci (8.6%) were partially healed, and 6 menisci (17.1%) were not healed in the suture group. In the FasT-Fix group, 15 menisci (64%) were healed, 7 menisci (24%) were partially healed, and 3 menisci (12%) were not healed. Follow-up MRI showed no statistically significant difference between the 2 groups. In the FasT-Fix group, follow-up MRI showed a newly developed cyst posterior to the medial meniscus in 2 patients. A new tear anterior to the previous tear was found in 1 patient. In the suture group, follow-up MRI showed no cysts or new tears. All-inside meniscal repairs using either sutures or the FasT-Fix device showed satisfactory results in patients with concomitant hamstring ACL reconstruction. There was no statistically significant difference in meniscal healing evaluated by MRI and functional outcomes between the 2 techniques. Level III, retrospective comparative study. Copyright © 2014 Arthroscopy Association of North America. Published by Elsevier Inc. All rights reserved.

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations.

PubMed

Anandakrishnan, Ramu; Aguilar, Boris; Onufriev, Alexey V

2012-07-01

The accuracy of atomistic biomolecular modeling and simulation studies depend on the accuracy of the input structures. Preparing these structures for an atomistic modeling task, such as molecular dynamics (MD) simulation, can involve the use of a variety of different tools for: correcting errors, adding missing atoms, filling valences with hydrogens, predicting pK values for titratable amino acids, assigning predefined partial charges and radii to all atoms, and generating force field parameter/topology files for MD. Identifying, installing and effectively using the appropriate tools for each of these tasks can be difficult for novice and time-consuming for experienced users. H++ (http://biophysics.cs.vt.edu/) is a free open-source web server that automates the above key steps in the preparation of biomolecular structures for molecular modeling and simulations. H++ also performs extensive error and consistency checking, providing error/warning messages together with the suggested corrections. In addition to numerous minor improvements, the latest version of H++ includes several new capabilities and options: fix erroneous (flipped) side chain conformations for HIS, GLN and ASN, include a ligand in the input structure, process nucleic acid structures and generate a solvent box with specified number of common ions for explicit solvent MD.

Optimization of linear and branched alkane interactions with water to simulate hydrophobic hydration

NASA Astrophysics Data System (ADS)

Ashbaugh, Henry S.; Liu, Lixin; Surampudi, Lalitanand N.

2011-08-01

Previous studies of simple gas hydration have demonstrated that the accuracy of molecular simulations at capturing the thermodynamic signatures of hydrophobic hydration is linked both to the fidelity of the water model at replicating the experimental liquid density at ambient pressure and an accounting of polarization interactions between the solute and water. We extend those studies to examine alkane hydration using the transferable potentials for phase equilibria united-atom model for linear and branched alkanes, developed to reproduce alkane phase behavior, and the TIP4P/2005 model for water, which provides one of the best descriptions of liquid water for the available fixed-point charge models. Alkane site/water oxygen Lennard-Jones cross interactions were optimized to reproduce the experimental alkane hydration free energies over a range of temperatures. The optimized model reproduces the hydration free energies of the fitted alkanes with a root mean square difference between simulation and experiment of 0.06 kcal/mol over a wide temperature range, compared to 0.44 kcal/mol for the parent model. The optimized model accurately reproduces the temperature dependence of hydrophobic hydration, as characterized by the hydration enthalpies, entropies, and heat capacities, as well as the pressure response, as characterized by partial molar volumes.