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Journal articles on the topic 'VDOS'

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Author: Grafiati

Published: 10 December 2022

Last updated: 29 January 2023

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1

Huang, Yongda, Jian Zhou, Guanjie Wang, and Zhimei Sun. "Role of Anharmonic Interactions for Vibration Density of States in α-Cristobalite." Materials 14, no. 3 (January 29, 2021): 617. http://dx.doi.org/10.3390/ma14030617.

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The vibrational density of states (VDOS) of solids in the low-energy regime controls the thermal and transport properties of materials, such as heat capacity, heat conduction, free energy and entropy. In α-Cristobalite, the low-frequency part of vibration density of states (VDOS) has many common features with the Boson peak in silica glass of matched densities. Recent theoretical work reported that anharmonic phonon–phonon interactions were critical for the low-frequency part of VDOS in α-Cristobalite. Therefore, it is urgent to identify the role of different anharmonic interactions from first principles. In this paper, we focus on the main peak of the low-frequency part of VDOS in α-Cristobalite. Calculated by our own developed codes and first principles, we find that the quartic anharmonic interaction can increase the frequency of the peak, while the cubic anharmonic can reduce the frequency and change the shape of the peak. Meanwhile, the anharmonic interactions are critical for the temperature effect. Therefore, we calculated the temperature-dependent property of the peak. We find that the frequency of the peak is directly proportional to the temperature. The atomic displacement patterns of different temperatures also confirm the above conclusion. All our calculations converged well. Moreover, our basic results agree well with other published results. Finally, we highlight that our codes offer a general and reliable way to calculate the VDOS with temperature.

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2

Fornasini, P., R. Grisenti, and N. Abd el All. "EXAFS parameters and VDOS in zincblende structures." Journal of Physics: Conference Series 430 (April 22, 2013): 012004. http://dx.doi.org/10.1088/1742-6596/430/1/012004.

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3

Sauceda, Huziel E., and Ignacio L. Garzón. "Vibrational properties and specific heat of core–shell Ag–Au icosahedral nanoparticles." Physical Chemistry Chemical Physics 17, no. 42 (2015): 28054–59. http://dx.doi.org/10.1039/c5cp00232j.

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4

Grandy, Victoria R., Kristin M. Poduska, and Ivan Saika-Voivod. "Vibrational signatures of chemical- and density-induced structural changes in simulated amorphous silica." Canadian Journal of Physics 92, no. 7/8 (July 2014): 615–18. http://dx.doi.org/10.1139/cjp-2013-0639.

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Molecular dynamics simulations show that vibrational modes in glassy SiO2 are affected differently by density-induced changes to the structural order compared with those induced by specific cationic substitutions (Al, P, Na). Using standard measures of local and midrange positional order, we find that P disrupts network order in terms of second nearest neighbours, but preserves local order. In contrast, Al decreases local order while maintaining network order. Increased density preserves structural correlations in the network although the length scale shrinks. The complex short-range and long-range structural trends in these modified glasses coincide with changes in distinct regions in the vibrational density of states (VDOS). This suggests that a greater role for VDOS as a tool to link simulation and experiment in amorphous materials.

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5

Zhang, Nana, Baoming Zhou, Dongbo Li, Dongfeng Qi, Yongling Wu, Hongyu Zheng, and Bing Yang. "Near-Interface Defects in Graphene/H-BN In-Plane Heterostructures: Insights into the Interfacial Thermal Transport." Nanomaterials 12, no. 7 (March 22, 2022): 1044. http://dx.doi.org/10.3390/nano12071044.

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Based on nonequilibrium molecular dynamics (NEMD) and nonequilibrium Green’s function simulations, the interfacial thermal conductance (ITC) of graphene/h-BN in-plane heterostructures with near-interface defects (monovacancy defects, 585 and f5f7 double-vacancy defects) is studied. Compared to pristine graphene/h-BN, all near-interface defects reduce the ITC of graphene/h-BN. However, differences in defective structures and the wrinkles induced by the defects cause significant discrepancies in heat transfer for defective graphene/h-BN. The stronger phonon scattering and phonon localization caused by the wider cross-section in defects and the larger wrinkles result in the double-vacancy defects having stronger energy hindrance effects than the monovacancy defects. In addition, the approximate cross-sections and wrinkles induced by the 585 and f5f7 double-vacancy defects provide approximate heat hindrance capability. The phonon transmission and vibrational density of states (VDOS) further confirm the above results. The double-vacancy defects in the near-interface region have lower low-frequency phonon transmission and VDOS values than the monovacancy defects, while the 585 and f5f7 double-vacancy defects have similar low-frequency phonon transmission and VDOS values at the near-interface region. This study provides physical insight into the thermal transport mechanisms in graphene/h-BN in-plane heterostructures with near-interface defects and provides design guidelines for related devices.

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6

Tseng, Po Ying, Wen Jie Ke, and Jia Lin Tsai. "Characterizing Interfacial Thermal Conductivity in Graphene Nanocomposites." Materials Science Forum 990 (May 2020): 197–203. http://dx.doi.org/10.4028/www.scientific.net/msf.990.197.

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This study investigated the functionalization and layer number effects on interfacial thermal conductivity (ITC) of graphene nanocomposites through molecular dynamics simulation. The functional groups grafted to the graphene surface were carboxyl and amine groups. The ITC between the graphene and the surrounding epoxy matrix was examined, and the effects of the functional groups and layer number on ITC were characterized through vibrational density of states (VDOS). It was revealed that the VDOS mismatch between the epoxy and the outermost layer of graphene was reduced by the functional groups. Thus, the functional groups can effectively improve the ITC between the graphene and epoxy matrix. Moreover, when the layer number of graphene increases, the ITC in nanocomposites increases correspondingly. This is attributed to the fact that the inner layers of graphene may interact with the epoxy matrix and contribute the interatomistic energy in the interface.

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7

Tao, Cui, Yongqun He, and Sivaram Arabandi. "A 2013 workshop: vaccine and drug ontology studies (VDOS 2013)." Journal of Biomedical Semantics 5, no. 1 (2014): 16. http://dx.doi.org/10.1186/2041-1480-5-16.

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8

Zorn, Reiner, Paulina Szymoniak, Mohamed A. Kolmangadi, Richard Malpass-Evans, Neil B. McKeown, Madhusudan Tyagi, Martin Böhning, and Andreas Schönhals. "Low Frequency Vibrations and Diffusion in Disordered Polymers Bearing an Intrinsic Microporosity as Revealed by Neutron Scattering." Crystals 11, no. 12 (November 29, 2021): 1482. http://dx.doi.org/10.3390/cryst11121482.

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The microscopic diffusion and the low frequency density of states (VDOS) of PIM-EA-TB(CH3) are investigated by inelastic and quasi-elastic neutron scattering where also the demethylated counterpart of PIM-EA-TB(H2) is considered. These intrinsic microporous polymers are characterized by large BET surface area values of several hundred m2/g and pore sizes between 0.5 and 2 nm. Detailed comparison is made to the archetype of polymers of intrinsic microporosity, PIM-1, and polynorbornenes also bearing a microporosity. Due to the wavelength of neutrons, the diffusion and vibrations can be addressed on microscopic length and time scales. From the inelastic neutron scattering experiments the low frequency density of states (VDOS) is estimated which shows excess contributions to the Debye-type VDOS known as Boson peak. It was found that the maximum frequency of the Boson peak decreases with increasing microporosity characterized by the BET surface area. However, besides the BET surface area, additional factors such as the backbone stiffness govern the maximum frequency of the Boson peak. Further the mean squared displacement related to microscopic motions was estimated from elastic fixed window scans. At temperatures above 175 K, the mean squared displacement PIM-EA-TB(CH3) is higher than that for the demethylated counterpart PIM-EA-TB(H2). The additional contribution found for PIM-EA-TB(CH3) is ascribed to the rotation of the methyl group in this polymer because the only difference between the two structures is that PIM-EA-TB(CH3) has methyl groups where PIM-EA-TB(H2) has none. A detailed comparison of the molecular dynamics is also made to that of PIM-1 and the microporous polynorbornene PTCNSi1. The manuscript focuses on the importance of vibrations and the localized molecular mobility characterized by the microscopic diffusion on the gas transport in polymeric separation membranes. In the frame of the random gate model localized fluctuations can open or close bottlenecks between pores to enable the diffusion of gas molecules.

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9

Bao, Xinjian, Mingyue He, Zhigang Zhang, and Xi Liu. "Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite." Crystals 11, no. 1 (December 26, 2020): 14. http://dx.doi.org/10.3390/cryst11010014.

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Bredigite with the composition Ca7MgSi4O16 (Ca7MgSi4O16-Bre) has been synthesized by a solid-state reaction method at 1.2 GPa and 1373 K for 7 days, and its structure has been determined by single-crystal X-ray diffraction data. Following a relevant genealogy analysis in the literature, we have refined the structure into two space groups, Pnnm and Pnn2, and found that Ca7MgSi4O16-Bre belongs to the space group Pnnm, which can be essentially derived from the space group Pnn2 via an atomic coordinate transformation (with an average deviation of 0.039 Å only). Furthermore, some thermodynamic properties of the Ca7MgSi4O16-Bre have been obtained in this study. Using first-principles simulations based on density functional theory, the isothermal bulk modulus has been determined as 90.6(4) GPa with a pressure derivative of 5.7(1). Using density functional perturbation technique, the phonon dispersions and vibrational density of the states (VDoS) have been calculated. The VDoS has been combined with a quasi-harmonic approximation to compute the isobaric heat capacity (Cp) and standard vibrational entropy (S2980), yielding Cp = 8.22(2) × 102 − 3.76(6) × 103T−0.5 − 1.384(4) × 107T−2 + 1.61(8) × 109T−3 J mol−1 K−1 for the T range of 298-1000 K and S2980 = 534.1 (22) J mol−1 K−1.

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10

Martinez-Gonzalez, José Angel, Prithwish K. Nandi, Niall J. English, and Aoife Gowen. "Vibrational Analysis of Hydration-Layer Water around Ubiquitin, Unpeeled Layer by Layer: Molecular-Dynamics Perceptions." International Journal of Molecular Sciences 23, no. 24 (December 15, 2022): 15949. http://dx.doi.org/10.3390/ijms232415949.

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Classical molecular-dynamics simulations have been performed to examine the interplay between ubiquitin and its hydration-water sub-layers, chiefly from a vibrational-mode and IR viewpoint—where we analyse individual sub-layers characteristics. The vibrational Density of States (VDOS) revealed that the first solvation sub-shell indicates a confined character therein. For layers of increasing distance from the surface, the adoption of greater bulk-like spectral behaviour was evident, suggesting that vibrational harmonisation to bulk occurs within 6–7 Å of the surface.

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11

Bellissent, R., A. Menelle, Z. A. Bowden, R. Osborn, A. D. Taylor, Gy Hutiray, L. Rosta, and F. Mezei. "VDOS dependence on oxygen concentration in the high-Tc system YBa2Cu3O6+x by inelastic neutron scattering." Physica B: Condensed Matter 156-157 (January 1989): 912–14. http://dx.doi.org/10.1016/0921-4526(89)90829-6.

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12

Mora-Barzaga, Geraudys, Felipe J. Valencia, Matías I. Carrasco, Rafael I. González, Martín G. Parlanti, Enrique N. Miranda, and Eduardo M. Bringa. "Enhancing the Thermal Conductivity of Amorphous Carbon with Nanowires and Nanotubes." Nanomaterials 12, no. 16 (August 18, 2022): 2835. http://dx.doi.org/10.3390/nano12162835.

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The thermal conductivity of nanostructures can be obtained using atomistic classical Molecular Dynamics (MD) simulations, particularly for semiconductors where there is no significant contribution from electrons to thermal conduction. In this work, we obtain and analyze the thermal conductivity of amorphous carbon (aC) nanowires (NW) with a 2 nm radius and aC nanotubes (NT) with 0.5, 1 and 1.3 nm internal radii and a 2 nm external radius. The behavior of thermal conductivity with internal radii, temperature and density (related to different levels of sp3 hybridization), is compared with experimental results from the literature. Reasonable agreement is found between our modeling results and the experiments for aC films. In addition, in our simulations, the bulk conductivity is lower than the NW conductivity, which in turn is lower than the NT conductivity. NTs thermal conductivity can be tailored as a function of the wall thickness, which surprisingly increases when the wall thickness decreases. While the vibrational density of states (VDOS) is similar for bulk, NW and NT, the elastic modulus is sensitive to the geometrical parameters, which can explain the enhanced thermal conductivity observed for the simulated nanostructures.

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13

SOUZA, ROSEMARI T., CARLOS A. FORCELINI, ERLEI M. REIS, and EUNICE O. CALVETE. "Validação de dois sistemas de previsão para a queima das folhas da cenoura." Fitopatologia Brasileira 27, no. 1 (February 2002): 87–90. http://dx.doi.org/10.1590/s0100-41582002000100014.

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Através de quatro experimentos realizados em campo, no período de setembro/98 a dezembro/99, avaliou-se a aplicabilidade de dois sistemas de previsão no controle da queima das folhas da cenoura (Daucus carotae). Seis esquemas de aplicação de fungicida (protetor ou sistêmico), baseados no acúmulo de valores diários de severidade (VDS) para Alternaria dauci ou equivalentes de infecção (EI) para Cercospora carotae, foram comparados a dois calendários fixos de tratamento e uma testemunha sem fungicida. Enquanto o número de VDS registrados por um coletor eletrônico (Colpam) variou de 25 a 94 por ciclo da cultura, nenhum EI foi detectado ao longo dos quatro experimentos. Com a adoção do sistema de VDS, o número de aplicações do fungicida protetor clorotalonil diminuiu de 7,5 (fixo, sete dias) para 3,5 (VDS 3-5), 2,7 (VDS 6-8) e dois (VDS 9-11) por cultivo. Nas mesmas condições, o fungicida sistêmico metconazole foi aplicado 3,7 (fixo, 14 dias), 2,5 (VDS 3-5), 1,7 (VDS 6-8) e 1,5 (VDS 9-11) vezes. A relação entre a área abaixo da curva de progresso de doença (AACPD) e o peso de raiz foi significativa em dois experimentos (P = 0,005 e 0,016). Quanto ao rendimento de raízes, o limiar de 3-5 VDS igualou-se ao esquema de calendário fixo em 3/4 das situações. Portanto, nas condições locais, o controle da queima das folhas pelo sistema de VDSs está condicionado ao limite de 3-5 VDS e à utilização de fungicidas sistêmicos com eficácia igual ou superior à do metconazole.

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14

Kavet, Robert, and Richard A. Tell. "VDTs." Health Physics 61, no. 1 (July 1991): 47–57. http://dx.doi.org/10.1097/00004032-199107000-00005.

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15

Choi, Insub, JunHee Kim, and Jisang Jang. "Development of Marker-Free Night-Vision Displacement Sensor System by Using Image Convex Hull Optimization." Sensors 18, no. 12 (November 27, 2018): 4151. http://dx.doi.org/10.3390/s18124151.

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Vision-based displacement sensors (VDSs) have the potential to be widely used in the structural health monitoring field, because the VDSs are generally easier to install and have higher applicability to the existing structures compared to the other conventional displacement sensors. However, the VDS also has disadvantages, in that ancillary markers are needed for extracting displacement data and data reliability is significantly lowered at night. In this study, a night vision displacement sensor (NVDS) was proposed to overcome the aforementioned two limitations. First, a non-contact NVDS system is developed with the installation of the infrared (IR) pass filter. Since it utilizes the wavelength of the infrared region and it is not sensitive to the change of a visible ray, it can precisely extract the shape information of the structure even at night. Second, a technique to extract the feature points from the images without any ancillary marker was formulated through an image convex hull optimization. Finally, the experimental tests of a three-story scaled model were performed to investigate the effectiveness of proposed NVDS at night. The results demonstrate that the NVDS has sufficiently high accuracy even at night and it can precisely measure the dynamic characteristics such as mode shapes and natural frequencies of the structure. The proposed system and formulation would extend the applicability of vision sensor not only into night-time measure but also marker-free measure.

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16

Hendricks, Melissa. "VDTs on Trial." Science News 134, no. 11 (September 10, 1988): 174. http://dx.doi.org/10.2307/3972738.

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17

Scroggie, M. G. "VDUs in wartime." Electronics and Power 33, no. 8 (1987): 491. http://dx.doi.org/10.1049/ep.1987.0301.

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18

Marshall, R. C. "VDUs and health." Electronics and Power 33, no. 10 (1987): 617. http://dx.doi.org/10.1049/ep.1987.0373.

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19

Health and Safety Executive. "VDUs are safe." Displays 7, no. 1 (January 1986): 49. http://dx.doi.org/10.1016/0141-9382(86)90055-7.

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20

Ergoflex (UK) Ltd. "Support for VDUs." Displays 8, no. 1 (January 1987): 43. http://dx.doi.org/10.1016/0141-9382(87)90009-6.

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21

Pool, Robert. "Exoneration for VDTs." Nature 350, no. 6315 (March 1991): 179. http://dx.doi.org/10.1038/350179b0.

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22

Goldhaber, Marilyn K., Michael R. Polen, and Robert A. Hiatt. "VDTs and miscarriage." American Journal of Industrial Medicine 15, no. 3 (1989): 359–60. http://dx.doi.org/10.1002/ajim.4700150314.

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23

Bourdillon, P. "Health Hazards of VDTs?" Optica Acta: International Journal of Optics 32, no. 1 (January 1985): 5. http://dx.doi.org/10.1080/713821649.

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24

Škrobonja, Antonio, Sanjin Valčić, Srđan Žuškin, and David Brčić. "On VDES/ECDIS Integration." Pomorstvo 34, no. 1 (June 30, 2020): 195–200. http://dx.doi.org/10.31217/p.34.1.21.

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Recently, the International Association of Marine Aids to Navigation and Lighthouse Authorities (IALA) has developed VHF data exchange system (VDES). It is recognized as an efficient tool for the usage of the radio spectrum with applied new techniques in information transmission. The authors propose the possibilities of VDES to be integrated with Electronic Chart Display and Information system (ECDIS), performing as a single point for data acquisition and distribution for monitoring and processing in the ECDIS. VDES satellite link component is emphasized as a part which could extend the safety of navigation as well as possible VDES applications for future service. A completely new architecture is proposed to get efficient and reliable data path, especially in ship’s communications. VDES could become a key point in safe and secure communications with both terrestrial and satellite components, resulting in a new area of integration possibilities. The main role of VDES in ship communications could be in critical instances of the ship’s operation as well as distress situations.

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25

Creed, Anthony, Ian Dennis, and Stephen Newstead. "Proof-reading on VDUs." Behaviour & Information Technology 6, no. 1 (January 1987): 3–13. http://dx.doi.org/10.1080/01449298708901814.

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26

Naugarhiya, Alok, Shashank Dubey, and Pravin N. Kondekar. "Novel strained superjunction VDMOS." Superlattices and Microstructures 85 (September 2015): 461–68. http://dx.doi.org/10.1016/j.spmi.2015.05.026.

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27

Whitfield, David. "Visual aspects of VDUs." Displays 6, no. 4 (October 1985): 238. http://dx.doi.org/10.1016/0141-9382(85)90160-x.

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28

O'Hagan, J. B. "Electrostatic fields from VDUs." Journal of Radiological Protection 9, no. 1 (March 1, 1989): 3–8. http://dx.doi.org/10.1088/0952-4746/9/1/001.

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29

Marcault, Emmanuel, Abdelhakim Bourennane, Patrick Tounsi, Marie Breil, and Jean‐Marie Dorkel. "VDMOS electrical parameters potentially usable as mechanical state indicators for power VDMOS assemblies." IET Circuits, Devices & Systems 8, no. 3 (May 2014): 188–96. http://dx.doi.org/10.1049/iet-cds.2013.0231.

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30

Zhao, Dongyan, Yubo Wang, Yanning Chen, Jin Shao, Zhen Fu, Baoxing Duan, Fang Liu, et al. "Novel Step Floating Islands VDMOS with Low Specific on-Resistance by TCAD Simulation." Micromachines 13, no. 4 (April 4, 2022): 573. http://dx.doi.org/10.3390/mi13040573.

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A novel VDMOS with Step Floating Islands VDMOS (S-FLI VDMOS) is proposed for the first time in this letter, in order to optimize the breakdown voltage (BV) and the specific on-resistance (Ron,sp). The innovative terminal technology of Breakdown Point Transfer (BPT) is applied to S-FLI VDMOS, which transfers the breakdown point from the high electric field region to the low electric field region, and the S-FLI VDMOS structure uses multiple layers of charge compensation blocks to generate multiple electric field peaks in the drift region in order to optimize the electric field distribution. In the TCAD simulation, the BV of the proposed S-FLI VDMOS is improved to 326 V, which is higher than that of 281 V for the conventional Si VDMOS with the same drift region length of 15 μm, and the Ron,sp is reduced from 21.54 mΩ·cm2 for the conventional Si VDMOS to 7.77 mΩ·cm2 for the S-FLI VDMOS. Compared with the conventional Si VDMOS, the current density of the effective current conduction path is increased when the forward bias is applied to the proposed device.

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31

Perry, A., A. Chitnis, A. Chin, C. Hoffmann, L. Chang, M. Robinson, G. Maltas, E. Munk, and M. Shah. "Real-world implementation of video-observed therapy in an urban TB program in the United States." International Journal of Tuberculosis and Lung Disease 25, no. 8 (August 1, 2021): 655–61. http://dx.doi.org/10.5588/ijtld.21.0170.

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BACKGROUND: Video directly observed therapy (vDOT) was introduced to increase flexibility and meet patient-specific needs for TB treatment. This study aimed to assess the reach and effectiveness of vDOT for TB treatment under routine conditions in Alameda County, CA, USA, a busy, urban setting, from 2018 to 2020.METHODS: We prospectively evaluated routinely collected data to estimate 1) reach (proportion of patients initiated on vDOT vs. in-person DOT); and 2) effectiveness (proportion of prescribed doses with verified administration by vDOT vs. in-person DOT).RESULTS: Among 163 TB patients, 94 (58%) utilized vDOT during treatment, of whom 54 (57%) received exclusively vDOT. Individuals receiving vDOT were on average younger than those receiving in-person therapy (46 vs. 61 years; P < 0.001). The median time to vDOT initiation was 2.2 weeks (IQR 1.1–10.0); patients were monitored for a median of 27.0 weeks (IQR 24.6–31.9). vDOT led to higher proportions of verified prescribed doses than in-person DOT (68% vs. 54%; P < 0.001). Unobserved self-administration occurred for all patients on weekends based on clinic instructions, but a larger proportion of doses were self-administered during periods of in-person DOT than of vDOT (45% vs. 24%; P < 0.001).CONCLUSION: A TB program successfully maintained vDOT, reaching the majority of patients and achieving greater medication verification than in-person DOT.

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32

Kubota, Satoru. "Effectiveness of filters for VDTs." JOURNAL OF THE ILLUMINATING ENGINEERING INSTITUTE OF JAPAN 70, Appendix (1986): 89. http://dx.doi.org/10.2150/jieij1980.70.appendix_89.

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33

Pungartnik, Marjan. "Vdor elektronskega dokumenta v literaturo." Organizacija znanja 8, no. 2 (2003): 82–89. http://dx.doi.org/10.3359/oz0302082.

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34

Horton, D. "VDAS — Vehicle Dynamics Analysis Software." Vehicle System Dynamics 22, sup1 (January 1993): 130–35. http://dx.doi.org/10.1080/00423119308969485.

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35

Tang, Zhao Huan, Bin Wang, Jia Nan Wang, and Kai Zhou Tan. "Use N+ Buried Layer to Design a Low On-Resistance VDMOS." Advanced Materials Research 756-759 (September 2013): 4267–70. http://dx.doi.org/10.4028/www.scientific.net/amr.756-759.4267.

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A novel structure of a VDMOS in reducing on-resistance is proposed and experimentally demonstrated with a 200V N-channel VDMOS. With this structure, the on-resistance value of the VDMOS is reduced by 19.6% than that of a traditional VDMOS structure as the breakdown voltage almost maintained the same value, and there is only one additional mask in processing this new structure VDMOS, which is easily fabricated. By TCAD tool, the specific on-resistance value will reduce by 23%, and the value by 33% will be realized when the device is fabricated in three epitaxies and four buried layers. The novel structure can be widely used in high-voltage VDMOS and BCD areas.

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36

Miller, D. M., and J. A. Wessels. "A Simple Method for the Continuous Noninvasive Estimate of Cardiac Output Using the Maxima Breathing System. A Pilot Study." Anaesthesia and Intensive Care 25, no. 1 (February 1997): 23–28. http://dx.doi.org/10.1177/0310057x9702500104.

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The Maxima is a new breathing system which makes it possible to monitor cardiac output (Q) noninvasively and to follow trends continuously. When used as a rebreathing system in controlled ventilation, the Maxima selectively eliminates alveolar gas and no fresh gas (&Vdot;F) is eliminated. Without the need for a mixing chamber, eliminated CO2 (F&Emacr;CO2) may be measured directly. With steady state conditions, and assuming a respiratory quotient of 1, carbon dioxide production (&Vdot;CO2) = &Vdot;F x F&Emacr;CO2. The indirect Fick principle applied to. CO2 exchange (&Qdot; = &Vdot;CO2/venous-to-arterial CO2 content difference (CaCO2-CvCO2)) may be modified to &Qdot; = &Vdot;F x F&Emacr;CO2/(CaCO2-CvCO2). If &Vdot;F in the breathing system is adjusted so that F&Emacr;CO2 is equal to CaCO2-CvCO2, then &Qdot; = &Vdot;F. It was found that, in the presence of a normal haemoglobin (13.3 g.dl–1), & Qdot; = &Vdot;F when &Vdot;F was adjusted to achieve an F&Emacr;CO2 value of approximately 4.1%. Cardiac output estimates were compared with those obtained using a thermodilution technique in five patients undergoing coronary artery bypass grafting and in four patients with septicaemia in the ICU. Cardiac outputs were estimated from 1. &Vdot;CO2 measurements and then 2. &Vdot;CO2 and haemoglobin (Hb). The result of 28 measurements on nine patients with methods 1. and 2. respectively yielded a correlation with thermodilution measurements: coefficient r = 0.91 and 0.94 with a bias of −10.5% and −0.05% and an accuracy of 14% and 9%.

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37

Hur, Junguk, Cui Tao, and Yongqun He. "A 2018 workshop: vaccine and drug ontology studies (VDOS 2018)." BMC Bioinformatics 20, S21 (December 2019). http://dx.doi.org/10.1186/s12859-019-3191-9.

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AbstractThis Editorial first introduces the background of the vaccine and drug relations and how biomedical terminologies and ontologies have been used to support their studies. The history of the seven workshops, initially named VDOSME, and then named VDOS, is also summarized and introduced. Then the 7th International Workshop on Vaccine and Drug Ontology Studies (VDOS 2018), held on August 10th, 2018, Corvallis, Oregon, USA, is introduced in detail. These VDOS workshops have greatly supported the development, applications, and discussion of vaccine- and drug-related terminology and drug studies.

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Gaál-Nagy, Katalin. "First-principles investigation of the vibrational properties of 3-tert-butylcyclohexene." Open Physics 8, no. 5 (January 1, 2010). http://dx.doi.org/10.2478/s11534-009-0167-9.

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AbstractI present a first-principles investigation of the vibrational properties of the chiral molecule 3-tert-butylcyclohexene. The vibrational density of states (vDOS) of the two existing conformers has been calculated ab initio within the framework of density-functional theory and density-functional perturbation theory, using both the local-density approximation and the generalized-gradient approximation for the exchange-correlation potential. The vDOS of the two conformers are very similar. The vDOS has been investigated with respect to contributions of the cyclohexene ring and the tert-butyl group and also regarding the localization of vibrational modes. Additionally, the eigendisplacements of characteristic modes of 3-tert-butylcyclohexene have been analyzed.

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Tao, Cui, Yongqun He, and Sivaram Arabandi. "Vaccine and Drug Ontology Studies (VDOS 2014)." Journal of Biomedical Semantics 7, no. 1 (February 25, 2016). http://dx.doi.org/10.1186/s13326-015-0039-8.

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Pedroza-Montero, Jesús N., Ignacio L. Garzón, and Huziel E. Sauceda. "On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes." Communications Chemistry 4, no. 1 (July 5, 2021). http://dx.doi.org/10.1038/s42004-021-00540-z.

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AbstractThe study of nanostructures’ vibrational properties is at the core of nanoscience research. They are known to represent a fingerprint of the system as well as to hint the underlying nature of chemical bonds. In this work, we focus on addressing how the vibrational density of states (VDOS) of the carbon fullerene family (Cn: n = 20 → 720 atoms) evolves from the molecular to the bulk material (graphene) behavior using density functional theory. We find that the fullerene’s VDOS smoothly converges to the graphene characteristic line-shape, with the only noticeable discrepancy in the frequency range of the out-of-plane optic (ZO) phonon band. From a comparison of both systems we obtain as main results that: (1) The pentagonal faces in the fullerenes impede the existence of the analog of the high frequency graphene’s ZO phonons, (2) which in the context of phonons could be interpreted as a compression (by 43%) of the ZO phonon band by decreasing its maximum allowed radial-optic vibration frequency. And 3) as a result, the deviation of fullerene’s VDOS relative to graphene may hold important thermodynamical implications, such as larger heat capacities compared to graphene at room-temperature. These results provide insights that can be extrapolated to other nanostructures containing pentagonal rings or pentagonal defects.

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Cappelletti, R. L., W. A. Kamitakahara, and Didarul Islam. "Neutron Scattering Study of Vibrational Modes in Glassy Gel-xSnxSe2." MRS Proceedings 376 (1994). http://dx.doi.org/10.1557/proc-376-667.

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ABSTRACTThe neutron vibrational density of states has been determined from neutron time-of-flight scattering in g-Ge1-xSnxSe2 with x = 0, 0.3, 0.35, and 0.5 to search for "floppy" modes. Previously Raman and Mossbauer studies1 have been interpreted on the basis that the addition of Sn to the GeSe2 network reduces the average number of mechanical constraints per atom allowing one to tune through the rigidity percolation threshold near x = 0.35. A comparison of the VDOS measured in this work below 10 meV for all samples shows that they are nearly identical indicating no evidence of the existence of floppy modes in these samples. Ab initio molecular dynamics2 calculations of the VDOS show good agreement with the measured results for g-GeSe2.

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Miyazaki, Takehide, Noriyuki Uchida, and Toshihiko Kanayama. "Ab Initio Structure Characterization for the Amorphous Assembly of Si Clusters Encapsulating Transition Metal." MRS Proceedings 1321 (2011). http://dx.doi.org/10.1557/opl.2011.811.

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ABSTRACTWe present a first-principles lattice dynamics for the assembly of the transition-metal (M)-encapsulated Sin clusters in amorphous phase (a-MSin), which has been proposed as a potential candidate for the channel material of the next-generation thin-film transistors (TFTs) [N. Uchida et al., Appl. Phys. Express1, 121502 (2008)]. The shape of calculated vibrational density of states (VDOS) curve of a-MoSi10 is similar to the counterpart of the high pressure phase of a-Si (HPA-Si) although the present systems are obtained as a result of pressure relaxation. Its radial distribution function (RDF) among Si themselves is characterized by the absence of a gap between the first and second shells, which is also the case in . We further present the VDOS of a-WSi10, whose curve shape is again similar to that of HPA-Si. A difference between a-MoSi10 and a-WSi10 is that the W-atom displacement components extracted from the vibration eigenvectors are mainly distributed over a lower frequency range (< ~ 150 cm-1) than the Mo counterpart (~ 150 cm-1 to ~ 300 cm-1). This may be attributed to a larger atomic mass of W than Mo.

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Zhou, Xiaolin, Yufeng Zhou, Ya Deng, and Yumin Zhang. "Structural, vibrational and transport properties of liquid and amorphous alumina: A molecular dynamics simulation study." Frontiers in Materials 9 (September 28, 2022). http://dx.doi.org/10.3389/fmats.2022.1005747.

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Structural, vibrational and transport properties of liquid alumina at 2500 K and amorphous alumina at 300 K were studied by molecular dynamics simulations using an empirical Born-Mayer-Huggins potential with the recently optimized parameters. The investigations were conducted for the predicted densities at almost zero pressure, as well as the experimentally reported densities of 2.81 g/cm3 and 3.175 g/cm3. A detailed examination of the interatomic correlations showed that for both liquid and amorphous alumina, the short-range order was dominated by the slightly distorted (AlO4)5− tetrahedra. Vibrational density of states (VDOS) was obtained from the Fourier transform of the velocity autocorrelation functions (VACF), which exhibited broader ranges for the liquid phases compared with those for the amorphous phases. Each VDOS spectrum was divided into two primary frequency bands for both liquid and amorphous alumina. Thermal conductivities (κ) and viscosities (η) were estimated respectively through the heat-current autocorrelation functions (HCACFs) and stress autocorrelation functions (SACF) by the equilibrium molecular dynamics (EMD) simulations using the Green-Kubo relation. And the results were shown to be consistent with the experimental data, especially that κ was equal to 2.341 ± 0.039 Wm−1K−1 for amorphous alumina at 2.81 g/cm3 and 300 K, η was equal to 0.0261 ± 0.0017 Pa·s and 0.0272 ± 0.0018 Pa·s for the liquid phases at 2500 K with densities of 2.81 g/cm3 and 2.863 g/cm3, respectively. Mean squared displacements (MSDs) were employed for the self-diffusion coefficients (D) estimation.

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Hsieh, Ru-Mei, and Donna Kelley. "A Study of Key Indicators of Development for University-Based Entrepreneurship Ecosystems in Taiwan." Entrepreneurship Research Journal 10, no. 2 (May 18, 2019). http://dx.doi.org/10.1515/erj-2018-0331.

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AbstractTheoretical concepts related to entrepreneurial ecosystems are currently in the initial stages of development and components of university-based entrepreneurial ecosystems (U-BEEs) are yet to be clarified or defined. This study identifies elements of U-BEEs and employs an analytic hierarchy process (AHP) to analyze university-based venture development organizations (VDOs) as research subjects. This study extracted six elements: namely policy, finance, culture, support, human capital, and market, comprising 31 evaluation indicators. The results of this study indicated that “market” was considered the most crucial of the six elements in Taiwan. Finally, this paper provides theoretical and practical implications based on the aforementioned findings.

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Deng, Chengcheng, Xiaoxiang Yu, Xiaoming Huang, and Nuo Yang. "Enhancement of Interfacial Thermal Conductance of SiC by Overlapped Carbon Nanotubes and Intertube Atoms." Journal of Heat Transfer 139, no. 5 (March 1, 2017). http://dx.doi.org/10.1115/1.4035998.

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A new way was proposed to enhance the interfacial thermal conductance (ITC) of silicon carbide (SiC) composite through the overlapped carbon nanotubes (CNTs) and intertube atoms. By nonequilibrium molecular dynamics (NEMD) simulations, the dependence of ITC on both the number of intertube atoms and the temperature was studied. It is indicated that the ITC can be significantly enhanced by adding intertube atoms and finally becomes saturated with the increase of the number of intertube atoms. And the mechanism is discussed by analyzing the probability distributions of atomic forces and vibrational density of states (VDOS). This work may provide some guidance on enhancing the ITC of CNT-based composites.

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Arun Kumar, V., and Sarith P. Sathian. "Evaporation of a Liquid Droplet in the Presence of a Nanoparticle." Journal of Heat Transfer 140, no. 5 (January 17, 2018). http://dx.doi.org/10.1115/1.4038477.

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Nonequilibrium molecular dynamics (MD) simulations have been performed to understand the evaporation of a liquid droplet in the presence of a solid nanoparticle. The influence of solid–liquid interaction strength (εsl) on the evaporation properties was addressed. The system consists of a solid nanoparticle (platinum) engulfed in a droplet (argon) in Argon vapor environment. After the equilibration of this nanoparticle embedded droplet with its vapor, the boundary of this system is heated continuously to evaporate the droplet. It is observed that the addition of a nanoparticle to the droplet resulted in a slower evaporation rate when compared to that of a pure droplet. It was found that the evaporation rate of the droplet is decreased with increasing solid–liquid interaction strength (εsl) and those liquid atoms around the solid nanoparticle with higher εsl are able to delay evaporation even at higher temperature owing to its decreased interfacial resistance. In order to analyze further on the vibrational coupling of the solid and liquid atoms, the vibrational density of states (VDOS) of the solid atoms is studied. It is observed that the DOS of the solid atoms exhibited a higher population in the lower frequency range with the highest peak observed for a lower value of εsl. For low values of εsl, we observe a decrease in the overlap between the VDOS of the solid atom and the interfacial liquid atoms. It is observed that for higher values of εsl, the particle is able to retain a structured layer of liquid even at high temperature and also a higher heat input is necessitated to break the interaction strength of the liquid molecules around the solid nanoparticle, which makes it possible in delaying the complete evaporation of the droplet.

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Köhler, Th, Th Frauenheim, and G. Jungnickel. "Stability, Chemical Bonding and Vibrational Properties of Amorphous Carbon at Different Mass Density." MRS Proceedings 383 (1995). http://dx.doi.org/10.1557/proc-383-437.

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ABSTRACTWe describe correlations between the atomic-scale structure and the global electronic and vibrational properties in amorphous carbon versus mass density. The model structures have been generated by applying different annealing regimes using a density-functional based molecular-dynamics (DF-MD) method. The stability of the amorphous modifications and the calculated vibrational density of states (VDOS) are strongly affected by the density and the annealing sequences, altering the chemical composition, the sp/sp2/sp3-clustering, the structure and related physical properties. A mass density of 3.0 g/cm3 is confirmed as a magic density favoring the formation of most stable a-C modifications having lowest defect densities and maximum band gap. In analyzing the vibrational spectra and the localization of modes in comparison with crystalline diamond and graphite, we identify the spectral signatures for chemically different bonded species and defects, that may be used for comparison with related Neutron-, Raman- and IR- work.

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48

Yang, Shu, Romi Kher, and Thomas S. Lyons. "Where Do Accelerators Fit in the Venture Creation Pipeline? Different Values Brought by Different Types of Accelerators." Entrepreneurship Research Journal 8, no. 4 (July 18, 2018). http://dx.doi.org/10.1515/erj-2017-0140.

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AbstractDespite the emergence of startup accelerators as venture development organizations (VDOs) to high-growth firms, research has yet to identify where these accelerators fit into the venture development ecosystem. By clarifying and reviewing three different subsystems in the entrepreneurial ecosystem, our paper proposes that as an extension of the current incubation mechanism, accelerators contribute to the entrepreneurial ecosystem by transforming entrepreneurs and their ventures at early stages. Drawing upon the Pipeline model (Lichtenstein, G. A., and T. S. Lyons. 2006. “Managing the community's pipeline of entrepreneurs and enterprises: A new way of thinking about business assets.”Economic Development Quarterly20 (4): 377–386.), we first plot where the accelerator model fits in the broader entrepreneurship ecosystem, and then demonstrate how different types of accelerators help participating entrepreneurs and their ventures progress along the venture development pipeline. Our theoretical approach contributes to both the entrepreneurship ecosystem and the accelerator literature and provides a practical map for both policymakers and early-stage entrepreneurs to manage and utilize their entrepreneurship ecosystem more effectively.

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Quiroga, Flor B., David Hinojosa-Romero, Alexander Valladares, Renela M. Valladares, Isaías Rodríguez, and Ariel A. Valladares. "The effect of negative pressures on the superconductivity of amorphous and crystalline bismuth." Scientific Reports 12, no. 1 (November 11, 2022). http://dx.doi.org/10.1038/s41598-022-22261-6.

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AbstractMaterials may behave in non-expected ways when subject to unexpected conditions. For example, when Bi was turned into an amorphous phase (a-Bi) unexpectedly it became a superconductor at temperatures below 10 K. Using the superconductivity of the amorphous phase we provided an explanation as to why crystalline bismuth (c-Bi) had not been found to superconduct, and even predicted an upper limit for its superconducting transition temperature Tc. This was experimentally corroborated within the following year. We now decided to investigate what happens to the crystalline, Wyckoff structure, and amorphous Bi when pressures below the atmospheric are applied. Here it is shown that, within the BCS approach, under expansion the Wyckoff c-Bi increases its superconducting transition temperature minimally, whereas the amorphous phase decreases its Tc. The electron densities of states (eDoS), the vibrational densities of states (vDoS) and the Debye temperatures (θD) are calculated to perform this qualitative evaluation. Expansion can be obtained in the laboratory by chemically etching Bi-based alloys, for example, a process also known as dealloying.

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Feng, Biao, Li-Wu Fan, and Yi Zeng. "Contribution of the Hydroxyl Group on Interfacial Heat Conduction of Monohydric Alcohols: A Molecular Dynamics Study." Journal of Heat Transfer 142, no. 3 (January 29, 2020). http://dx.doi.org/10.1115/1.4045667.

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Abstract Monohydric alcohols have been used as promising phase change materials (PCMs) for low-temperature latent heat storage. However, the heat storage/retrieval rates are limited due to the low thermal conductivity of such alcohols. In this work, nonequilibrium molecular dynamics (NEMD) simulations were performed to study the microscopic heat conduction in example monohydric alcohols, i.e., 1-dodecanol (C12H26O), 1-tetradecanol (C14H30O), and 1-hexadecanol (C16H34O). A simplified ideal crystal model was proposed to exploit the potential for improving the thermal conductivity of monohydric alcohols. The effect of ideal crystalline structures, especially the contribution of the hydroxyl group, on the microscopic heat conduction process was analyzed. The thermal conductivity of the ideal crystals of the various monohydric alcohols was predicted to be more than twice as compared to that of their respective solids. The major thermal resistance in the ideal crystals was found around the molecular interfaces, as a result of the excellent heat conduction performance along the linear molecular chains. The calculated vibrational density of states (VDOS) and interfacial heat transfer were then investigated. When the interfaces are surrounded by hydroxyl groups as walls, strong hydrogen bond (HB) interactions were observed. The interfacial heat transfer coefficient of the ideal crystalline structures of 1-tetradecanol was found to reach up to ∼735.6 MW/m2 W. It was elucidated that the high interfacial heat transfer rate is clearly related to the stronger intermolecular interactions.

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