Search results for " Force"
showing 10 items of 2250 documents
Towards an atomistic understanding of solid friction by computer simulations
2002
Friction between two solid bodies in sliding motion takes place on a large spectrum of length and time scales: From the nanometer/second scale in an atomic force microscope up to the extremely macroscopic scales of tectonic motion. Despite our familiarity with friction, fundamental questions about its atomistic origins remain unanswered. Phenomenological laws that describe the friction in many systems were published more than 300 years ago by Amontons: The frictional force is proportional to the applied load and independent of the apparent area of contact. The atomistic origins of this simple law is still controversial. Many explanations, which seemed to be well-established until recently, …
NMR crystallography of 2-Acylamino-6-[1H]pyridones: solid state NMR, GIPAW computational, and single crystal X-ray diffraction studies
2011
Abstract 2-Acylamino-6-[1H]-pyridones [acyl = RCO, where R = methyl (1), ethyl (2), iso-propyl (3), tert-butyl (4), and 1-adamantyl (5)] have been synthesized and characterized by NMR spectroscopy. From three congeners, 2, 3 and 5, also single crystal X-ray structures have been solved. For these derivatives GIPAW calculations acts as a “bridge” between solid-state NMR data and calculated chemical shifts based on X-ray determined geometry. In crystals all three compounds exist as pyridone tautomers possessing similar six-membered ring structure stabilized by intramolecular C O⋯HN hydrogen bond. Theoretical GIPAW calculated and experimental 13C and 15N CPMAS NMR shifts are in excellent agreem…
The influence of sigma and pi acceptors on two-photon absorption and solvatochromism of dipolar and quadrupolar unsaturated organic compounds.
2003
Two-photon absorption cross sections delta and solvatochromic properties were determined for a series of quadrupolar and dipolar compounds by using femtosecond excitation in the spectral range between 710 and 960 nm. The compounds investigated were distyrylbenzenes and polyenes bearing appropriate pi or sigma acceptors. The delta values for the centrosymmetric compounds trans, trans- 1,4-bis[2-(2',5'-dihexyloxy)phenylethenyl]-2,3,5,6-tetrafluorobenzene (6), trans, trans-1,4-bis[2-(4'-dibutylamino)phenylethenyl]- 2,3,5,6-tetrafluorobenzene (2), trans, trans-1,4-bis[2-(4'dimethylamino)phenylbutadienyl]- 2,3,5,6-tetrafluorobenzene (7), trans,-trans-1,4-bis[2-(4'-dimethylamino)phenylethenyl]2,5…
A study of the atmospherically important reactions between dimethyl selenide (DMSe) and molecular halogens (X2 = Cl2, Br2, and I2) with ab initio cal…
2012
The atmospherically relevant reactions between dimethyl selenide (DMSe) and the molecular halogens (X(2) = Cl(2), Br(2), and I(2)) have been studied with ab initio calculations at the MP2/aug-cc-pVDZ level of theory. Geometry optimization calculations showed that the reactions proceed from the reagents to the products (CH(3)SeCH(2)X + HX) via three minima, a van der Waals adduct (DMSe:X(2)), a covalently bound intermediate (DMSeX(2)), and a product-like complex (CH(3)SeCH(2)X:HX). The computed potential energy surfaces are used to predict what molecular species are likely to be observed in spectroscopic experiments such as gas-phase photoelectron spectroscopy and infrared matrix isolation s…
Visible-ultraviolet vibronic emission of silica nanoparticles
2014
We report the study of the visible-ultraviolet emission properties and the structural features of silica nanoparticles prepared through a laboratory sol-gel technique. Atomic force microscopy, Raman and Infrared investigations highlighted the 10 nm size, purity and porosity of the obtained nanoparticles. By using time resolved photoluminescence techniques in air and in a vacuum we were able to single out two contributions in the visible emission: the first, stable in both atmospheres, is a typical fast blue band centered around 2.8 eV; the second, only observed in a vacuum around the 3.0-3.5 eV range, is a vibrational progression with two phonon modes at 1370 cm(-1) and 360 cm(-1). By fully…
Gold-Catalyzed Intramolecular Hydroamination of o-Alkynylbenzyl Carbamates: A Route to Chiral Fluorinated Isoindoline and Isoquinoline Derivatives
2013
Enantiomerically pure fluorinated isoindoline and dihydroisoquinoline scaffolds have been prepared through a diastereoselective addition of fluorinated nucleophiles to Ellman’s N-(tert-butanesulfinyl)imines followed by a sequence of Sonogashira cross-coupling/gold(I)-catalyzed cycloisomerization of the corresponding carbamate. A more favored 5-exo-dig mechanism was observed mainly due to an electronic effect of the fluorinated group.
Conditioning hops increase triceps surae muscle force and Achilles tendon strain energy in the stretch-shortening cycle
2018
Postactivation potentiation can improve athletic performance, but the underlying mechanisms are poorly understood. This study investigated the effect of conditioning hops on triceps surae muscle force and tendon strain and its contribution to potentiated stretch-shortening cycle (SSC) performance. Thirty-two subjects participated in two experiments. In both experiments, subjects performed three drop jumps (DJs) after prior conditioning with 10 maximal hops, three unconditioned DJs served as control. Ground reaction forces, kinematics, and triceps surae electromyographic activity were recorded. Ultrasound imaging was used to determine fascicle lengths (FASC) of the gastrocnemius (GM) and sol…
Robust Discrete-Time Lateral Control of Racecars by Unknown Input Observers
2023
This brief addresses the robust lateral control problem for self-driving racecars. It proposes a discrete-time estimation and control solution consisting of a delayed unknown input-state observer (UIO) and a robust tracking controller. Based on a nominal vehicle model, describing its motion with respect to a generic desired trajectory and requiring no information about the surrounding environment, the observer reconstructs the total force disturbance signal, resulting from imperfect knowledge of the time-varying tire-road interface characteristics, presence of other vehicles nearby, wind gusts, and other model uncertainty. Then, the controller actively compensates the estimated force and as…
π-Extended Pyrene-Fused Double [7]Carbohelicene as a Chiral Polycyclic Aromatic Hydrocarbon
2019
A π-extended double [7]carbohelicene 2 with fused pyrene units was synthesized, revealing considerable intra- and intermolecular π–π interactions as confirmed with X-ray crystallography. As compared to the previous double [7]carbohelicene 1, the π-extended homologue 2 demonstrated considerably red-shifted absorption with an onset at 645 nm (1: 550 nm) corresponding to a smaller optical gap of 1.90 eV (1: 2.25 eV). A broad near-infrared emission from 600 to 900 nm with a large Stokes shift of ∼100 nm (2.3 × 103 cm–1) was recorded for 2, implying formation of an intramolecular excimer upon excitation, which was corroborated with femtosecond transient absorption spectroscopy. Moreover, 2 revea…