Search Results - "Maršálek, Ondřej"

Selection Of Analytical Computational Model Of Contact Pressure by Maršálek, Ondřej, Vopařil, Jan, Raffai, Peter, Novotný, Pavel

“…This paper presents a comparison of two contact pressure calculation methods between two real rough surfaces: a calculation based on FEM (Finite Element…”
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Multi Body Analysis Of A Turbocharger Supported By A Fully Floating Ring Bearing by Knotek, Jiří, Novotný, Pavel, Maršálek, Ondřej, Raffai, Peter

“…This paper describes an advanced tool for turbocharger rotor dynamics analysis and its development. The hydrodynamic model of the journal bearing based on…”
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The Influence of Rotor Unbalance on Turbocharger Rotor Dynamics by Knotek, Jiří, Novotný, Pavel, Maršálek, Ondřej, Raffai, Peter, Dlugoš, Jozef

“…Članek analyzuje vliv nevyvahy na dynamiku rotoru turbodmychadla. Je zde prezentovan 3D vypočtovy model rotoru turbodmychadla a hydrodynamicky model kluzne…”
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Role Of Computational Simulations In The Design Of Piston Rings by Novotný, Pavel, Raffai, Peter, Dlugoš, Jozef, Maršálek, Ondřej, Knotek, Jiří

“…The paper presents computational approaches using modern strategies for a dynamic piston ring solution as a fluid structural problem. Computational model…”
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Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects by Marsalek, Ondrej, Markland, Thomas E

“…Understanding the reactivity and spectroscopy of aqueous solutions at the atomistic level is crucial for the elucidation and design of chemical processes…”
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The Interplay of Structure and Dynamics in the Raman Spectrum of Liquid Water over the Full Frequency and Temperature Range by Morawietz, Tobias, Marsalek, Ondrej, Pattenaude, Shannon R, Streacker, Louis M, Ben-Amotz, Dor, Markland, Thomas E

“…While many vibrational Raman spectroscopy studies of liquid water have investigated the temperature dependence of the high-frequency O–H stretching region, few…”
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Unraveling the Complex Nature of the Hydrated Electron by Uhlig, Frank, Marsalek, Ondrej, Jungwirth, Pavel

“…The structure of the hydrated electron, which is a key species in radiative processes in water, has remained elusive. The traditional cavity model has been…”
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NUMERICAL MODELLING OF DRY FRICTION OF PISTON RINGS IN INTERNAL COMBUSTION ENGINES by Peter Raffai, Ondřej Maršálek, Gabriela Nečasová

“…The aim of the article is to experimentally evaluate the contact area and to compare the measured results with different contact model theories. The experiment…”
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Structure, Dynamics, and Reactivity of Hydrated Electrons by Ab Initio Molecular Dynamics by Marsalek, Ondrej, Uhlig, Frank, VandeVondele, Joost, Jungwirth, Pavel

“…Understanding the properties of hydrated electrons, which were first observed using pulse radiolysis of water in 1962, is crucial because they are key species…”
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Structure and Dynamics of the Hydration Shell: Spatially Decomposed Time Correlation Approach by Pluhařová, Eva, Jungwirth, Pavel, Matubayasi, Nobuyuki, Marsalek, Ondrej

“…Molecular simulations provide insight into solvation structures and dynamics with unparalleled spatial and temporal resolution. Here, we take advantage of this…”
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Solvation and ion-pairing properties of the aqueous sulfate anion: explicit versus effective electronic polarization by Pegado, Luís, Marsalek, Ondrej, Jungwirth, Pavel, Wernersson, Erik

“…We assessed the relative merits of two approaches for including polarization effects in classical force fields for the sulfate anion. One of the approaches is…”
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Beyond Badger’s Rule: The Origins and Generality of the Structure–Spectra Relationship of Aqueous Hydrogen Bonds by Boyer, Mark A, Marsalek, Ondrej, Heindel, Joseph P, Markland, Thomas E, McCoy, Anne B, Xantheas, Sotiris S

“…The structure of hydrogen bonded networks is intimately intertwined with their dynamics. Despite the incredibly wide range of hydrogen bond strengths…”
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Valence and Core-Level X‑ray Photoelectron Spectroscopy of a Liquid Ammonia Microjet by Buttersack, Tillmann, Mason, Philip E, McMullen, Ryan S, Martinek, Tomas, Brezina, Krystof, Hein, Dennis, Ali, Hebatallah, Kolbeck, Claudia, Schewe, Christian, Malerz, Sebastian, Winter, Bernd, Seidel, Robert, Marsalek, Ondrej, Jungwirth, Pavel, Bradforth, Stephen E

“…Photoelectron spectroscopy of microjets expanded into vacuum allows access to orbital energies for solute or solvent molecules in the liquid phase. Microjets…”
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Ab Initio Molecular Dynamics Approach to a Quantitative Description of Ion Pairing in Water by Pluhařová, Eva, Marsalek, Ondrej, Schmidt, Burkhard, Jungwirth, Pavel

“…Ion pairing of lithium and fluoride in water is described quantitatively using ab initio molecular dynamics simulations. We design a reliable computational…”
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Charge Transfer between Water Molecules As the Possible Origin of the Observed Charging at the Surface of Pure Water by Vácha, Robert, Marsalek, Ondrej, Willard, Adam P, Bonthuis, Douwe Jan, Netz, Roland R, Jungwirth, Pavel

“…Classical molecular dynamics simulations point to an anisotropy of water–water hydrogen bonding at the water surface. Approaching from the gas phase, a region…”
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Dynamics of electron localization in warm versus cold water clusters by Marsalek, Ondrej, Uhlig, Frank, Frigato, Tomaso, Schmidt, Burkhard, Jungwirth, Pavel

“…The process of electron localization on a cluster of 32 water molecules at 20, 50, and 300 K is unraveled using ab initio molecular dynamics simulations. In…”
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Tracking Aqueous Proton Transfer by Two-Dimensional Infrared Spectroscopy and ab Initio Molecular Dynamics Simulations by Yuan, Rongfeng, Napoli, Joseph A, Yan, Chang, Marsalek, Ondrej, Markland, Thomas E, Fayer, Michael D

“…Proton transfer in water is ubiquitous and a critical elementary event that, via proton hopping between water molecules, enables protons to diffuse much faster…”
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Chasing charge localization and chemical reactivity following photoionization in liquid water by Marsalek, Ondrej, Elles, Christopher G, Pieniazek, Piotr A, Pluhařová, Eva, VandeVondele, Joost, Bradforth, Stephen E, Jungwirth, Pavel

“…The ultrafast dynamics of the cationic hole formed in bulk liquid water following ionization is investigated by ab initio molecular dynamics simulations and an…”
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Electrons in Cold Water Clusters: An ab Initio Molecular Dynamics Study of Localization and Metastable States by Marsalek, Ondrej, Uhlig, Frank, Jungwirth, Pavel

“…Ab initio molecular dynamics simulations were performed with the aim to follow two scenarios for an excess electron in cold water clusters. In the first one,…”
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A conceptual study of a cranktrain with low friction losses by Drápal, Lubomír, Novotný, Pavel, Maršálek, Ondřej, Raffai, Peter, Píštěk, Václav

“…Tento článek popisuje výpočtový přístup pro ověření koncepční studie klikového mechanismu s nízkými třecími ztrátami a analysu jeho vibrací. Snížení třecích…”
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