1,178 research outputs found
Non-equilibrium phase behavior and friction of confined molecular films under shear: a non-equilibrium molecular dynamics study
The phase behavior of a confined liquid at high pressure and shear rate, such as is found in elastohydrodynamic lubrication, can influence the traction characteristics in machine operation. Generic aspects of this behavior are investigated here using Non-equilibrium Molecular Dynamics (NEMD) simulations of confined Lennard-Jones (LJ) films under load with a recently proposed wall-driven shearing method without wall atom tethering [C. Gattinoni et al., Phys. Rev. E 90, 043302 (2014)]. The focus is on thick films in which the nonequilibrium phases formed in the confined region impact on the traction properties. The nonequilibrium phase and tribological diagrams are mapped out in detail as a function of load, wall sliding speed, and atomic scale surface roughness, which is shown can have a significant effect. The transition between these phases is typically not sharp as the external conditions are varied. The magnitude of the friction coefficient depends strongly on the nonequilibrium phase adopted by the confined region of molecules, and in general does not follow the classical friction relations between macroscopic bodies, e.g., the frictional force can decrease with increasing load in the Plug-Slip (PS) region of the phase diagram owing to structural changes induced in the confined film. The friction coefficient can be extremely low (∼0.01) in the PS region as a result of incommensurate alignment between a (100) face-centered cubic wall plane and reconstructed (111) layers of the confined region near the wall. It is possible to exploit hysteresis to retain low friction PS states well into the central localization high wall speed region of the phase diagram. Stick-slip behavior due to periodic in-plane melting of layers in the confined region and subsequent annealing is observed at low wall speeds and moderate external loads. At intermediate wall speeds and pressure values (at least) the friction coefficient decreases with increasing well depth of the LJ potential between the wall atoms, but increases when the attractive part of the potential between wall atoms and confined molecules is made larger
A spectroscopic cell for fast pressure jumps across the glass transition line
We present a new experimental protocol for the spectroscopic study of the
dynamics of glasses in the aging regime induced by sudden pressure jumps
(crunches) across the glass transition line. The sample, initially in the
liquid state, is suddenly brought in the glassy state, and therefore out of
equilibrium, in a four-window optical crunch cell which is able to perform
pressure jumps of 3 kbar in a time interval of ~10 ms. The main advantages of
this setup with respect to previous pressure-jump systems is that the pressure
jump is induced through a pressure transmitting fluid mechanically coupled to
the sample stage through a deformable membrane, thus avoiding any flow of the
sample itself in the pressure network and allowing to deal with highly viscous
materials. The dynamics of the sample during the aging regime is investigated
by Brillouin Light Scattering (BLS). For this purpose the crunch cell is used
in conjunction with a high resolution double monochromator equipped with a CCD
detector. This system is able to record a full spectrum of a typical glass
forming material in a single 1 s shot. As an example we present the study of
the evolution toward equilibrium of the infinite frequency longitudinal elastic
modulus (M_infinity) of a low molecular weight polymer (Poly(bisphenol
A-co-epichlorohydrin), glycidyl end capped). The observed time evolution of
M_infinity, well represented by a single stretched exponential, is interpreted
within the framework of the Tool-Narayanaswamy theory.Comment: 9 pages, 11 figure
Control-volume representation of molecular dynamics
A Molecular Dynamics (MD) parallel to the Control Volume (CV) formulation of
fluid mechanics is developed by integrating the formulas of Irving and
Kirkwood, J. Chem. Phys. 18, 817 (1950) over a finite cubic volume of molecular
dimensions. The Lagrangian molecular system is expressed in terms of an
Eulerian CV, which yields an equivalent to Reynolds' Transport Theorem for the
discrete system. This approach casts the dynamics of the molecular system into
a form that can be readily compared to the continuum equations. The MD
equations of motion are reinterpreted in terms of a
Lagrangian-to-Control-Volume (\CV) conversion function , for
each molecule . The \CV function and its spatial derivatives are used to
express fluxes and relevant forces across the control surfaces. The
relationship between the local pressures computed using the Volume Average (VA,
Lutsko, J. Appl. Phys 64, 1152 (1988)) techniques and the Method of Planes
(MOP, Todd et al, Phys. Rev. E 52, 1627 (1995)) emerges naturally from the
treatment. Numerical experiments using the MD CV method are reported for
equilibrium and non-equilibrium (start-up Couette flow) model liquids, which
demonstrate the advantages of the formulation. The CV formulation of the MD is
shown to be exactly conservative, and is therefore ideally suited to obtain
macroscopic properties from a discrete system.Comment: 19 pages, 15 figure
Sinking in : the peripheral Baldwinisation of human cognition
The Baldwin effect is a hypothetical process in which a learned response to environmental change evolves a genetic basis. Modelling has shown that the Baldwin effect offers a plausible and elegant explanation for the emergence of complex behavioural traits, but there is little direct empirical evidence for its occurrence. We highlight experimental evidence of the Baldwin effect and argue that it acts preferentially on peripheral rather than on central cognitive processes. Careful scrutiny of research on taste-aversion and fear learning, language, and imitation indicates that their efficiency depends on adaptively specialised input and output processes: analogues of scanner and printer interfaces that feed information to core inference processes and structure their behavioural expression
Impact of excess NOx emissions from diesel cars on air quality, public health and eutrophication in Europe
Diesel cars have been emitting four to seven times more NOx in on-road driving than in type approval tests. These ‘excess emissions’ are a consequence of deliberate design of the vehicle’s after-treatment system, as investigations during the ‘Dieselgate’ scandal have revealed. Here we calculate health and environmental impacts of these excess NOx emissions in all European countries for the year 2013. We use national emissions reported officially under the UNECE Convention for Long-range Transport of
Atmospheric Pollutants and employ the EMEP MSC-W Chemistry Transport Model and the GAINS
Integrated Assessment Model to determine atmospheric concentrations and resulting impacts. We compare with impacts from hypothetical emissions where light duty diesel vehicles are assumed to emit only as much as their respective type approval limit value or as little as petrol cars of the same age.
Excess NO2 concentrations can also have direct health impacts, but these overlap with the impacts from particulate matter (PM) and are not included here. We estimate that almost 10 000 premature deaths from PM2.5 and ozone in the adult population (age >30 years) can be attributed to the NOx emissions from diesel cars and light commercial vehicles in EU28 plus Norway and Switzerland in 2013. About 50% of these could have been avoided if diesel limits had been achieved also in on-road driving; and had diesel cars emitted as little NOx as petrol cars, 80% of these premature deaths could have been avoided. Ecosystem eutrophication impacts (critical load exceedances) from the same diesel vehicles would also have been reduced at similar rates as for the health effects
Varieties of labour administration in Europe and the consequences of the Great Recession
This article focuses on national public administration activities that relate to employment, social protection and industrial relations. The International Labour Organization (ILO) refers to these activities collectively as ‘labour administration’ and regards the bodies that conduct them within individual countries as together forming national systems of labour administration. This article explores the concept of ‘national system of labour administration’ and considers the potential contribution of comparative institutional analysis in understanding how national systems are organised and change over time. The article also compares the organisation of national labour administration systems in European Union (EU) countries and analyses how these systems have developed since the start of the economic crisis that erupted in 2008
Statistical Mechanics of Vacancy and Interstitial Strings in Hexagonal Columnar Crystals
Columnar crystals contain defects in the form of vacancy/interstitial loops
or strings of vacancies and interstitials bounded by column ``heads'' and
``tails''. These defect strings are oriented by the columnar lattice and can
change size and shape by movement of the ends and forming kinks along the
length. Hence an analysis in terms of directed living polymers is appropriate
to study their size and shape distribution, volume fraction, etc. If the
entropy of transverse fluctuations overcomes the string line tension in the
crystalline phase, a string proliferation transition occurs, leading to a
supersolid phase. We estimate the wandering entropy and examine the behaviour
in the transition regime. We also calculate numerically the line tension of
various species of vacancies and interstitials in a triangular lattice for
power-law potentials as well as for a modified Bessel function interaction
between columns as occurs in the case of flux lines in type-II superconductors
or long polyelectrolytes in an ionic solution. We find that the centered
interstitial is the lowest energy defect for a very wide range of interactions;
the symmetric vacancy is preferred only for extremely short interaction ranges.Comment: 22 pages (revtex), 15 figures (encapsulated postscript
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