Relevant bibliographies by topics / Local ionization energy surfaces

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers

Academic literature on the topic 'Local ionization energy surfaces'

Author: Grafiati
Published: 4 June 2021
Last updated: 1 February 2022

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Journal articles on the topic "Local ionization energy surfaces"

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Sjoberg, Per, Jane S. Murray, Tore Brinck, and Peter Politzer. "Average local ionization energies on the molecular surfaces of aromatic systems as guides to chemical reactivity." Canadian Journal of Chemistry 68, no. 8 (1990): 1440–43. http://dx.doi.org/10.1139/v90-220.

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The average ionization energy, [Formula: see text], is introduced and is demonstrated to be useful as a guide to chemical reactivity in aromatic systems. [Formula: see text] is rigorously defined within the framework of self-consistent-field molecular orbital (SCF-MO) theory and can be interpreted as the average energy needed to ionize an electron at any point in the space of a molecule. An abinitio SCF-MO approach has been used to calculate [Formula: see text] at the 6-31G* level, using STO-3G optimized geometries. [Formula: see text] has been computed on molecular surfaces defined by the con
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Lundstedt, Anna, Matthew J. Webb, and Helena Grennberg. "Ozonolysis of polycyclic aromatic hydrocarbons in participating solvents." RSC Advances 7, no. 10 (2017): 6152–59. http://dx.doi.org/10.1039/c6ra26248a.

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Camus, Patrick P. "Field-assisted ionization theory for microscopists." Proceedings, annual meeting, Electron Microscopy Society of America 52 (1994): 820–21. http://dx.doi.org/10.1017/s0424820100171833.

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The theory of field ion emission is the study of electron tunneling probability enhanced by the application of a high electric field. At subnanometer distances and kilovolt potentials, the probability of tunneling of electrons increases markedly. Field ionization of gas atoms produce atomic resolution images of the surface of the specimen, while field evaporation of surface atoms sections the specimen. Details of emission theory may be found in monographs.Field ionization (FI) is the phenomena whereby an electric field assists in the ionization of gas atoms via tunneling. The tunneling probabi
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Esrafili, Mehdi D., and Roghaye Nurazar. "A theoretical study on surface reactivity of fluorinated (n,0) and (n,n) carbon nanotubes (n = 3–6)." Canadian Journal of Chemistry 92, no. 4 (2014): 299–304. http://dx.doi.org/10.1139/cjc-2013-0553.

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Density functional theory calculations are performed to investigate the surface reactivity of pristine as well as fluorine-terminated zigzag (n,0) and armchair (n,n) carbon nanotubes (n = 3–6). The properties determined include the electrostatic potential V(r) and average local ionization energy Ī(r) on the surfaces of the investigated tubes. A general feature of all of the systems studied is that stronger potentials are associated with regions of higher curvature. The results indicate that both V(r) and Ī(r) detect the effects of fluorine-terminated regions in which significant effects are ob
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Haeberlein, Markus, Jane S. Murray, Tore Brinck, and Peter Politzer. "Calculated electrostatic potentials and local surface ionization energies of para-substituted anilines as measures of substituent effects." Canadian Journal of Chemistry 70, no. 8 (1992): 2209–14. http://dx.doi.org/10.1139/v92-277.

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Using an abinitio self-consistent-field molecular orbital approach, we computed 3-21G//STO-3G* and STO-5G//STO-3G* electrostatic potentials and average local ionization energies for 17 para-substituted anilines. Our results demonstrate that the most negative potentials (Vmin) and the local surface ionization energy minima (ĪS,min) associated with the amine nitrogen lone pairs are highly sensitive indicators of the electron-donating and electron-attracting tendencies of the para substituents. We find excellent linear relationships between the 3-21G//STO-3G* amine nitrogen Vmin and ĪS,min and th
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Hagelin, Helena, Jane S. Murray, Peter Politzer, Tore Brinck, and Michel Berthelot. "Family-independent relationships between computed molecular surface quantities and solute hydrogen bond acidity/basicity and solute-induced methanol O–H infrared frequency shifts." Canadian Journal of Chemistry 73, no. 4 (1995): 483–88. http://dx.doi.org/10.1139/v95-063.

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Family-independent relationships between computed molecular surface properties and solute hydrogen bond acidity/basicity and solute-induced methanol O–H infrared frequency shifts are presented. The molecular surface quantities, computed at the ab initio HF/6-31G* level, are primarily related to the electrostatic potential of the molecule, but also include the average local ionization energy on its surface. Keywords: hydrogen bond acidity/basicity, O–H frequency shifts, molecular electrostatic potential.
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Wang, Z. L., and J. Bentley. "Correcting channeling and diffraction effects in quantitative REELS surface microanalysis." Proceedings, annual meeting, Electron Microscopy Society of America 49 (August 1991): 708–9. http://dx.doi.org/10.1017/s0424820100087859.

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Channeling conditions or resonance conditions have to be satisfied in order to enhance image contrast in reflection electron microscopy (REM) and the signal-to-background ratio in reflection electron energy-loss spectroscopy (REELS). The introduction of the channeling and diffraction effects can complicate surface microanalysis (Fig. 1). In REELS, the composition ratio for two elements may be determined by(1)where σ(A,β,Δ) is the single-atom ionization cross-section of element A for collection semi-angle β and energy window Δ; iA is the average local (channeling) current density at A atom site
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Artem'ev, K. V., N. K. Berezhetskaya, S. Yu Kazantsev, et al. "Fast combustion waves and chemi-ionization processes in a flame initiated by a powerful local plasma source in a closed reactor." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 373, no. 2048 (2015): 20140334. http://dx.doi.org/10.1098/rsta.2014.0334.

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Results are presented from experimental studies of the initiation of combustion in a stoichiometric methane–oxygen mixture by a freely localized laser spark and by a high-current multispark discharge in a closed chamber. It is shown that, preceding the stage of ‘explosive’ inflammation of a gas mixture, there appear two luminous objects moving away from the initiator along an axis: a relatively fast and uniform wave of ‘incomplete combustion’ under laser spark ignition and a wave with a brightly glowing plasmoid behind under ignition from high-current slipping surface discharge. The gas mixtur
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Fukao, Shinji, Yoshikazu Nakanishi, Tadahiro Mizoguchi, Yoshiaki Ito, and Shinzo Yoshikado. "Radiation of X-Rays in Low-Pressure Gas Using LiNbO3 Single Crystal." Key Engineering Materials 421-422 (December 2009): 205–8. http://dx.doi.org/10.4028/www.scientific.net/kem.421-422.205.

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The gas pressure and the types of ambient gas dependence of X-ray intensity were investigated for LiNbO3 single crystals polarized in the c-axis direction at pressures of approximately 1 to 30 Pa. The integrated X-ray intensity showed a local maximum value at the pressure Pmax. Pmax moved to the high-pressure side in the ambient with a large first ionization energy. Pmax was proportional to the Boltzmann factor using the first ionization energy of each ambient gas molecule. The X-ray intensity was approximated using the quadratic function, which was convex upward for the pressure. It was found
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Nematollahi, Parisa, Mehdi D. Esrafili, and Amin Bagheri. "Functionalization of single-walled (n,0) carbon and boron nitride nanotubes by carbonyl derivatives (n = 5, 6): a DFT study." Canadian Journal of Chemistry 94, no. 1 (2016): 105–11. http://dx.doi.org/10.1139/cjc-2015-0334.

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By using density functional theory calculations, the chemical functionalization of finite-sized (5,0) and (6,0) carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs) by different carbonyl derivatives –COX (X = H, CH3, OCH3, OH, and NH2) is studied in terms of geometrical and electronic structure properties. Also, the benefits of local reactivity descriptors is studied to characterize the reactive sites of the external surface of the tubes. These local reactivity descriptors include the electrostatic potential VS(r) and average local ionization energy ĪS(r) on the surfaces of these nanotu
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Dissertations / Theses on the topic "Local ionization energy surfaces"

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Lundstedt, Anna. "Development of Mild Methods for Selective Covalent Functionalization of Graphene." Doctoral thesis, Uppsala universitet, Institutionen för kemi - BMC, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-332004.

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This thesis discusses methods for the comparatively mild covalent functionalization of graphene. Several graphene models were investigated: polycyclic aromatic hydrocarbons (PAHs), chemical vapor deposition (CVD)-graphene on SiO2/Si substrate, graphite foil, graphite flakes, kish graphite and highly oriented pyrolytic graphite. The PAHs were viewed as graphene edge analogs with the following molecules representing different edge motifs: pyrene, perylene, benzo[a]pyrene, benzo[e]pyrene, triphenylene, acenapthylene, and anthracene. Ozone was used in combination with different solvents to functio
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Chen, Chuxing. "Local atmospheric electricity and its possible application in high-energy cosmic ray air shower detection." Diss., The University of Arizona, 1989. http://hdl.handle.net/10150/184799.

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We have conducted an extensive experimental study on the subject of near ground atmospheric electricity. The main objective was to gain more understanding of this particular aspect of atmospheric phenomena, while testing the possible application to cosmic ray research. The results in atmospheric electricity show that there are certain patterns in ion grouping such as the size and lifetime. The average lifetime of ion group is 0.7 seconds and the average size is about 10 meters at our experimental site. Ultrahigh energy cosmic ray air showers should create sizable slow atmospheric electric puls
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Shepperd, Kristin. "Low-energy electron induced processes in hydrocarbon films adsorbed on silicon surfaces." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2009. http://hdl.handle.net/1853/29648.

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Thesis (Ph. D.)--Chemistry and Biochemistry, Georgia Institute of Technology, 2010.<br>Committee Chair: Orlando, Thomas; Committee Member: El-Sayed, Mostafa; Committee Member: First, Phillip; Committee Member: Lackey, Jack; Committee Member: Tolbert, Laren. Part of the SMARTech Electronic Thesis and Dissertation Collection.
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Joseph, Jerelle Aurelia. "Energy landscapes for protein folding." Thesis, University of Cambridge, 2018. https://www.repository.cam.ac.uk/handle/1810/284923.

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Proteins are involved in numerous functions in the human body, including chemical transport, molecular recognition, and catalysis. To perform their function most proteins must adopt a specific structure (often referred to as the folded structure). A microscopic description of folding is an important prerequisite for elucidating the underlying basis of protein misfolding and rational drug design. However, protein folding occurs on heterogeneous length and time scales, presenting a grand challenge to both experiments and simulations. In computer simulations, challenges are generally mitigated by
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Fernandez, Garrillo Pablo Arturo. "Développement de techniques de microscopie Kelvin hautement résolues et photomodulées pour l'étude de systèmes photovoltaïques." Thesis, Université Grenoble Alpes (ComUE), 2018. http://www.theses.fr/2018GREAY031/document.

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Cette thèse propose, décrit et utilise un ensemble de techniques basées sur la microscopie à force atomique sous ultravide pour la cartographie simultanée, à l'échelle nanométrique, de la topographie de surface et des dynamiques temporelles des photo-porteurs. Ainsi, en contrôlant la dépendance du photo-potentiel de surface moyen mesuré par microscopie à force de sonde Kelvin en fonction de la fréquence de répétition d'une source lumineuse externe d'excitation, le dispositif expérimental permet d’accéder aux dynamiques temporelles du photo-potentiel de surface qui, à leur tour, permettent d'ét
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"Pavement Surfaces Impact on Local Temperature and Building Cooling Energy Consumption." Master's thesis, 2015. http://hdl.handle.net/2286/R.I.36391.

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abstract: Pavement surface temperature is calculated using a fundamental energy balance model developed previously. It can be studied using a one-dimensional mathematical model. The input to the model is changed, to study the effect of different properties of pavement on its diurnal surface temperatures. It is observed that the pavement surface temperature has a microclimatic effect on the air temperature above it. A major increase in local air temperature is caused by heating of solid surfaces in that locality. A case study was done and correlations have been established to calculate the air
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Books on the topic "Local ionization energy surfaces"

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Chance, Kelly, and Randall V. Martin. Blackbody Radiation, Boltzmann Statistics, Temperature, and Thermodynamic Equilibrium. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780199662104.003.0003.

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Blackbody radiation, temperature, and thermodynamic equilibrium give a tightly coupled description of systems (atmospheres, volumes, surfaces) that obey Boltzmann statistics. They provide descriptions of systems when Boltzmann statistics apply, either approximately or nearly exactly. These apply most of the time in the Earth’s stratosphere and troposphere, and in other planetary atmospheres as long as the density is sufficient that collisions among atmospheric molecules, rather than photochemical and photophysical properties, determine the energy populations of the ensemble of molecules. Therm
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van der Hoeven, Frank, and Alexander Wandl. Hotterdam: How space is making Rotterdam warmer, how this affects the health of its inhabitants, and what can be done about it. TU Delft Open, 2015. http://dx.doi.org/10.47982/bookrxiv.1.

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Heat waves will occur in Rotterdam with greater frequency in the future. Those affected most will be the elderly – a group that is growing in size. In the light of the Paris heat wave of August 2003 and the one in Rotterdam in July 2006, mortality rates among the elderly in particular are likely to rise in the summer. METHOD The aim of the Hotterdam research project was to gain a better understanding of urban heat. The heat was measured and the surface energy balance modelled from that perspective. Social and physical features of the city we identified in detail with the help of satellite imag
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Book chapters on the topic "Local ionization energy surfaces"

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Haynes, Matthew A., and Birgit Lohmann. "Low Energy Inner-Valence Electron Impact Ionization of Argon." In Many-Particle Spectroscopy of Atoms, Molecules, Clusters, and Surfaces. Springer US, 2001. http://dx.doi.org/10.1007/978-1-4615-1311-7_11.

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Mazevet, S., G. Nguyen Vien, J. Langlois, et al. "Low Energy (E, 2E) Ionization of Argon in the Equal Energy Sharing Geometry." In Many-Particle Spectroscopy of Atoms, Molecules, Clusters, and Surfaces. Springer US, 2001. http://dx.doi.org/10.1007/978-1-4615-1311-7_10.

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Murray, Jane S., Zenaida Peralta-Inga Shields, and Peter Politzer. "The Local Ionization Energy as a Guide to Site Reactivities on Graphenes." In Challenges and Advances in Computational Chemistry and Physics. Springer Netherlands, 2014. http://dx.doi.org/10.1007/978-94-017-8848-9_9.

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Ekeland, I., and H. Hofer. "Global and Local Invariants for Convex Energy Surfaces and their Periodic Trajectories: A Survey." In Periodic Solutions of Hamiltonian Systems and Related Topics. Springer Netherlands, 1987. http://dx.doi.org/10.1007/978-94-009-3933-2_12.

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Zolnikov, Konstantin P., Dmitrij S. Kryzhevich, and Aleksandr V. Korchuganov. "Regularities of Structural Rearrangements in Single- and Bicrystals Near the Contact Zone." In Springer Tracts in Mechanical Engineering. Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-60124-9_14.

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AbstractThe chapter is devoted to the analysis of the features of local structural rearrangementsin nanostructured materialsunder shear loadingand nanoindentation. The study was carried out using molecular dynamics-based computer simulation. In particular, we investigated the features of symmetric tilt grain boundary migration in bcc and fcc metals under shear loading. The main emphasis was on identifying atomic mechanisms responsible for the migration of symmetric tilt grain boundaries. We revealed that grain boundaries of this type can move with abnormally high velocities up to several hundred meters per second. The grain boundary velocity depends on the shear rate and grain boundary structure. It is important to note that the migration of grain boundary does not lead to the formation of structural defects. We showed that grain boundary moves in a pronounced jump-like manner as a result of a certain sequence of self-consistent displacements of grain boundary atomic planes and adjacent planes. The number of atomic planes involved in the migration process depends on the structure of the grain boundary. In the case of bcc vanadium, five planes participate in the migration of the Σ5(210)[001] grain boundary, and three planes determine the Σ5(310)[001] grain boundary motion. The Σ5(310)[001] grain boundary in fcc nickel moves as a result of rearrangements of six atomic planes. The stacking order of atomic planes participating in the grain boundary migration can change. A jump-like manner of grain boundary motion may be divided into two stages. The first stage is a long time interval of stress increase during shear loading. The grain boundary is motionless during this period and accumulates elastic strain energy. This is followed by the stage of jump-like grain boundary motion, which results in rapid stress drop. The related study was focused on understanding the atomic rearrangements responsible for the nucleation of plasticity near different crystallographic surfaces of fcc and bcc metals under nanoindentation. We showed that a wedge-shaped region, which consists of atoms with a changed symmetry of the nearest environment, is formed under the indentation of the (001) surface of the copper crystallite. Stacking faults arise in the (111) atomic planes of the contact zone under the indentation of the (011) surface. Their escape on the side free surface leads to a step formation. Indentation of the (111) surface is accompanied by nucleation of partial dislocations in the contact zone subsequent formation of nanotwins. The results of the nanoindentation of bcc iron bicrystal show that the grain boundary prevents the propagation of structural defects nucleated in the contact zone into the neighboring grain.
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Politzer, Peter, and Jane S. Murray. "Chapter 8 The average local ionization energy: concepts and applications." In Theoretical and Computational Chemistry. Elsevier, 2007. http://dx.doi.org/10.1016/s1380-7323(07)80009-4.

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Abatzoglou, Ch, N. A. Katsanos, A. Kalantzopoulos, and F. Roubani-Kalantzopoulou. "Time distribution of adsorption energies, local monolayer capacities, local isotherms and energy distribution functions on catalytic surfaces." In Studies in Surface Science and Catalysis. Elsevier, 1999. http://dx.doi.org/10.1016/s0167-2991(99)80146-3.

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Raff, Lionel, Ranga Komanduri, Martin Hagan, and Satish Bukkapatnam. "Applications of Neural Network Fitting of Potential-Energy Surfaces." In Neural Networks in Chemical Reaction Dynamics. Oxford University Press, 2012. http://dx.doi.org/10.1093/oso/9780199765652.003.0009.

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In this chapter, several examples of NN fitting of databases obtained using either ab initio electronic structure methods or an empirical potential will be discussed. The objective of this presentation is not to provide a complete and comprehensive review of the field nor is it to acquaint the reader with the details of the reaction dynamics of the particular systems employed as examples. It is rather to provide a clear picture of the power and limitations of NN methods for the investigation of reaction dynamics. We begin with a brief overview of the literature in the field. Neural networks provide a powerful method to effect the fitting of an ensemble of potential energy points in a database. In 1993, Blank et al. employed an NN to fit data derived from an empirical potential model for CO chemisorbed on a Ni(111) surface. Two years later, these same investigators also examined the interaction potential of H2 on a Si(100)-2 × 1 surface using a data set comprising 750 energies computed using local density functional theory. To the best of our knowledge, these were the first two examples in which NNs were employed to provide the PES for a dynamics study. Hobday et al. have investigated the energies of C-H systems by using a Tersoff potential form in which the three-body term is replaced by an NN comprising five input nodes, one hidden layer with six nodes, and an output layer. In this work, the five input elements are computed by consideration of the bond type, i.e., C-C or C-H, the three-body bond angle θ, which is input to the NN in the form (1 + cos θ)2, the connectivity of the local environment, and the second neighbor information. The method was applied to carbon clusters and a wide variety of alkanes, alkenes, alkynes, aromatics, and radicals. Comparison of the atomization energies obtained using the NN potential surfaces with experimental values showed the errors for 12 alkanes, 13 alkenes, 4 alkynes, 7 aromatics, and 12 radicals to lie in the ranges zero to 0.3 eV (alkanes), 0.1 to 1.5 eV (alkenes), 0 to 0.5 eV (alkynes), zero to 1.0 eV (aromatics), and zero to 2.8 eV (radicals).
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Bunker, Bruce C., and William H. Casey. "The Chemistry of Extended Oxide Surfaces." In The Aqueous Chemistry of Oxides. Oxford University Press, 2016. http://dx.doi.org/10.1093/oso/9780199384259.003.0011.

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In Chapters 4 and 5, we demonstrated that local structures and charge distributions have an enormous impact on the equilibrium constants, trajectories, and kinetics of reactions involving soluble oxide precursors. In this chapter, we highlight those features that make reactions on extended oxide surfaces either similar to or dramatically different from the reactions documented in hydrolysis diagrams for each metal cation (see Chapter 5). We first describe oxide surface structures and then discuss how these structures impact both acid–base and ligand-exchange phenomena. In addition to dense oxides, we also introduce some of the chemistry associated with layered materials. Lamellar materials are important from both a fundamental and technological perspective, because water and ions can readily penetrate such structures and provide conditions under which almost every oxygen anion is at an oxide–water interface (see Chapter 10 and Chapter 11). This chapter focuses on oxides containing octahedral cations. The distinctive chemistry of oxides based on tetrahedral cations, including the clay minerals and the zeolites, are the focus of Part Five. The structures of bulk oxides were introduced in Chapter 2. However, for many oxides, the surface structures that interact with aqueous solutions are substantially different from structures found in the bulk. Here, we introduce the basic principles of oxide surfaces that make them chemically active. As a starting point, consider ideal oxide surfaces containing +2 octahedral cations. Pristine oxide surfaces can be created by cleaving perfect crystals in an ultrahigh-vacuum environment. The creation of new surfaces requires an expenditure of energy corresponding to the cohesive energy of the solid, which in turn represents the energy required to break every bond along a given fracture plane. For MgO, the Mg−O bond energy is 380 kJ/mole. Each surface created contains 1.4.1019 oxygen atoms/m2, or 2.4.10−5 moles of bonds. Because two surfaces are created in the fracture event, the initial interfacial energy of each resulting MgO surface is (1/2)(380 kJ/mole)/(2.4_10−5 mole/m2 )=4560 mJ/m2.
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K. Ronoh, Erick. "Radiation Exchange at Greenhouse Tilted Surfaces under All-Sky Conditions." In Next-Generation Greenhouses for Food Security. IntechOpen, 2021. http://dx.doi.org/10.5772/intechopen.95595.

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Greenhouses generally exhibit a greater degree of thermal radiation interaction with the surroundings than other buildings. A number of greenhouse thermal environment analyses have handled the thermal radiation exchange in different ways. Thermal radiation exchange at greenhouse surfaces is of great interest for energy balance. It dominates the heat transfer mechanisms especially between the cover material surface and the surrounding atmosphere. At these surfaces, the usual factors of interest are local temperatures and energy fluxes. The greenhouse surfaces are inclined and oriented in various ways and thus can influence the radiation exchange. The scope of this work is determination of the thermal radiation exchange models as well as effects of surface inclination and orientation on the radiation exchange between greenhouse surfaces and sky. Apart from the surface design and the thermal properties of the cover, the key meteorological parameters influencing longwave and shortwave radiation models were considered in detail. For the purpose of evaluating surface inclination and orientation effects, four identical thermal boxes were developed to simulate the roof and wall greenhouse surfaces. The surface temperatures and atmospheric parameters were noted under all-sky conditions (clear-sky and overcast). Differences in terms of surface-to-air temperature differences at the exposed roof and wall surfaces as influenced by surface inclination and orientation are discussed in this work. Overall, the findings of this work form a basis for decisions on greenhouse design improvements and climate control interventions in the horticultural industry.
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Conference papers on the topic "Local ionization energy surfaces"

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Maboudian, Roya, M. El-Maazawi, Z. Postawa, et al. "Energy and angular distributions of particles desorbed from surfaces using multiphoton resonance ionization detection." In OE/LASE '90, 14-19 Jan., Los Angeles, CA, edited by Nicholas S. Nogar. SPIE, 1990. http://dx.doi.org/10.1117/12.17868.

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Csinger, Andrew, and Douglas Matthews. "Dual use solar surfaces for local grids and net zero development." In 2020 IEEE Electric Power and Energy Conference (EPEC). IEEE, 2020. http://dx.doi.org/10.1109/epec48502.2020.9320016.

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Cummings, Alan C., Edward C. Stone, Bryant C. Heikkila, et al. "Voyager 1 Observations of Galactic Cosmic Rays in the Local Interstellar Medium: Energy Density and Ionization Rates." In The 34th International Cosmic Ray Conference. Sissa Medialab, 2016. http://dx.doi.org/10.22323/1.236.0318.

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Medina, Hector E., and Brian Hinderliter. "Stress, Strain, and Energy at Fracture of Degraded Surfaces: Study of Replicates of Rough Surfaces." In 2013 21st International Conference on Nuclear Engineering. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/icone21-16907.

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Due to the aging of structures, the issues of plant life management and license extension are receiving increasing emphasis in many countries. Understanding failure of structures due to random roughness on surfaces at early stages of degradation is therefore crucial. It has been shown that even slightly sinusoidal roughness can increase stress concentration by a factor of 2 or 3, which can be critical for a brittle component due to the significant reduction of its load-carrying capacity, even with slight roughness. A more in-depth fracture analysis of surfaces possessing random roughness is ne
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Sitaraman, Hariswaran, Gilberto Moreno, Ercan M. Dede, Shailesh N. Joshi, Feng Zhou, and Sreekant Narumanchi. "Local-Scale Simulations of Nucleate Boiling on Micrometer-Featured Surfaces." In ASME 2017 Heat Transfer Summer Conference. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/ht2017-4710.

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A high-fidelity computational fluid dynamics (CFD)-based model for bubble nucleation of the refrigerant HFE7100 on micrometer-featured surfaces is presented in this work. The single-fluid, incompressible Navier-Stokes equations, along with energy transport and natural convection effects, are solved on a featured surface resolved grid. An a priori cavity detection method is employed to convert raw profilometer data of a surface into well-defined cavities. The cavity information and surface morphology are represented in the CFD model by geometric mesh deformations. Surface morphology is observed
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Ricklick, Mark, Stephanie Kersten, V. Krishnan, and J. S. Kapat. "Effects of Channel Height and Bulk Temperature Considerations on Heat Transfer Coefficient of Wetted Surfaces in a Single Inline Row Impingement Channel." In ASME 2008 Heat Transfer Summer Conference collocated with the Fluids Engineering, Energy Sustainability, and 3rd Energy Nanotechnology Conferences. ASMEDC, 2008. http://dx.doi.org/10.1115/ht2008-56323.

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High performance turbine airfoils are typically cooled with a combination of internal cooling channels and impingement/film cooling. In such applications, the jets impinge against a target surface, and then exit along the channel formed by the jet plate, target plate, and side walls. Local convection coefficients are the result of both the jet impact, as well as the channel flow produced from the exiting jets. Numerous studies have explored the effects of jet array and channel configurations on both target and jet plate heat transfer coefficients. However, little work has been done in examinin
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Rovenskaya, Olga, and Giulio Croce. "Numerical Investigation of Rough Surfaces: Coupling Approach." In ASME 2012 10th International Conference on Nanochannels, Microchannels, and Minichannels collocated with the ASME 2012 Heat Transfer Summer Conference and the ASME 2012 Fluids Engineering Division Summer Meeting. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/icnmm2012-73068.

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A numerical analysis of the flow field in rough microchannel is carried out decomposing the computational physical domain into kinetic and continuum sub-domains. Each domain size is determined by the value of a proper threshold parameter, based on the local Knudsen number and local gradients of macro-parameters. This switching parameter is computed from a preliminary Navier–Stokes solution throughout the whole physical domain. The solution is then advanced in time simultaneously in both kinetic and continuum domains: the coupling is achieved by matching half fluxes at the interface of the kine
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Varanasi, Kripa K., and Tao Deng. "Controlling Condensation of Water Using Hybrid Hydrophobic-Hydrophilic Surfaces." In 2010 14th International Heat Transfer Conference. ASMEDC, 2010. http://dx.doi.org/10.1115/ihtc14-22723.

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Heterogeneous nucleation of water plays an important role in wide range of natural and industrial processes. Though heterogeneous nucleation of water is ubiquitous and everyday experience, spatial control of this important phenomenon is extremely difficult. Here we show, for the first time, that spatial control in the heterogeneous nucleation of water can be achieved by manipulating the local nucleation energy barrier and nucleation rate via the modification of the local intrinsic wettability of a surface by patterning hybrid hydrophobic-hydrophilic regions on a surface. Such ability to contro
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Liao, Liang, Andreas Athienitis, Kwang-Wook Park, Michael Collins, and Yves Poissant. "Numerical Study of Conjugate Heat Transfer in a BIPV-Thermal System." In ASME 2005 International Solar Energy Conference. ASMEDC, 2005. http://dx.doi.org/10.1115/isec2005-76140.

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This paper presents a computational fluid dynamics (CFD) study of a building-integrated photovoltaic thermal (BIPV/T) system, which generates both electricity and thermal energy. The conjugate heat transfer in the BIPV/T system cavity is studied with a 2-D CFD model. The k-ε model is used to simulate the turbulent flow and convective heat transfer in the cavity, in addition to buoyancy effect. Longwave radiation between boundary surfaces is also modeled. Experimental measurements taken in a full scale outdoor test facility at Concordia University are generally in good agreement with the CFD mo
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Medina, Simon, Daniele Dini, and Andrew V. Olver. "Adhesive Contact Between Atomistic Surfaces Using a Continuum Analysis." In ASME/STLE 2009 International Joint Tribology Conference. ASMEDC, 2009. http://dx.doi.org/10.1115/ijtc2009-15212.

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We have previously shown that, for non-adhesive conditions, an atomic scale contact can be adequately represented by a continuum analysis despite the physical shortcomings at this scale. Here we have extended the approach to include effects of the adhesive forces that become significant at this level of contact. Adhesive forces are obtained directly from the surface separation across the contact rather than through a total surface energy approach; this allows a complete representation of local surface features. The pull-off characteristics and pressure profiles have been obtained for several d
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