2,517 research outputs found
The Potential Energy Landscape and Mechanisms of Diffusion in Liquids
The mechanism of diffusion in supercooled liquids is investigated from the
potential energy landscape point of view, with emphasis on the crossover from
high- to low-T dynamics. Molecular dynamics simulations with a time dependent
mapping to the associated local mininum or inherent structure (IS) are
performed on unit-density Lennard-Jones (LJ). New dynamical quantities
introduced include r2_{is}(t), the mean-square displacement (MSD) within a
basin of attraction of an IS, R2(t), the MSD of the IS itself, and g_{loc}(t)
the mean waiting time in a cooperative region. At intermediate T, r2_{is}(t)
posesses an interval of linear t-dependence allowing calculation of an
intrabasin diffusion constant D_{is}. Near T_{c} diffusion is intrabasin
dominated with D = D_{is}. Below T_{c} the local waiting time tau_{loc} exceeds
the time, tau_{pl}, needed for the system to explore the basin, indicating the
action of barriers. The distinction between motion among the IS below T_{c} and
saddle, or border dynamics above T_{c} is discussed.Comment: submitted to pr
Instantaneous Normal Mode analysis of liquid HF
We present an Instantaneous Normal Modes analysis of liquid HF aimed to
clarify the origin of peculiar dynamical properties which are supposed to stem
from the arrangement of molecules in linear hydrogen-bonded network. The
present study shows that this approach is an unique tool for the understanding
of the spectral features revealed in the analysis of both single molecule and
collective quantities. For the system under investigation we demonstrate the
relevance of hydrogen-bonding ``stretching'' and fast librational motion in the
interpretation of these features.Comment: REVTeX, 7 pages, 5 eps figures included. Minor changes in the text
and in a figure. Accepted for publication in Phys. Rev. Let
Recommended from our members
Ceramics Technology Project database: September 1991 summary report
The piston ring-cylinder liner area of the internal combustion engine must withstand very-high-temperature gradients, highly-corrosive environments, and constant friction. Improving the efficiency in the engine requires ring and cylinder liner materials that can survive this abusive environment and lubricants that resist decomposition at elevated temperatures. Wear and friction tests have been done on many material combinations in environments similar to actual use to find the right materials for the situation. This report covers tribology information produced from 1986 through July 1991 by Battelle columbus Laboratories, Caterpillar Inc., and Cummins Engine Company, Inc. for the Ceramic Technology Project (CTP). All data in this report were taken from the project`s semiannual and bimonthly progress reports and cover base materials, coatings, and lubricants. The data, including test rig descriptions and material characterizations, are stored in the CTP database and are available to all project participants on request. Objective of this report is to make available the test results from these studies, but not to draw conclusions from these data
Recommended from our members
Ceramic Technology Project database: September 1990 summary report
Data generated within the Ceramic Technology Project (CTP) represent a valuable resource for both research and industry. The CTP database was created to provide easy access to this information in electronic and hardcopy forms by using a computerized database and by issuing periodic hardcopy reports on the database contents. This report is the sixth in a series of semiannual database summaries and covers recent additions to the database, including joined brazed specimen test data. It covers 1 SiC, 34 SiN, 10 whisker-reinforced SiN, 2 zirconia-toughened aluminas, 8 zirconias, and 34 joints
Dynamics and geometric properties of the k-Trigonometric model
We analyze the dynamics and the geometric properties of the Potential Energy
Surfaces (PES) of the k-Trigonometric Model (kTM), defined by a fully-connected
k-body interaction. This model has no thermodynamic transition for k=1, a
second order one for k=2, and a first order one for k>2. In this paper we i)
show that the single particle dynamics can be traced back to an effective
dynamical system (with only one degree of freedom); ii) compute the diffusion
constant analytically; iii) determine analytically several properties of the
self correlation functions apart from the relaxation times which we calculate
numerically; iv) relate the collective correlation functions to the ones of the
effective degree of freedom using an exact Dyson-like equation; v) using two
analytical methods, calculate the saddles of the PES that are visited by the
system evolving at fixed temperature. On the one hand we minimize |grad V|^2,
as usually done in the numerical study of supercooled liquids and, on the other
hand, we compute the saddles with minimum distance (in configuration space)
from initial equilibrium configurations. We find the same result from the two
calculations and we speculate that the coincidence might go beyond the specific
model investigated here.Comment: 36 pages, 13 figure
Heterogeneous Dynamics, Marginal Stability and Soft Modes in Hard Sphere Glasses
In a recent publication we established an analogy between the free energy of
a hard sphere system and the energy of an elastic network [1]. This result
enables one to study the free energy landscape of hard spheres, in particular
to define normal modes. In this Letter we use these tools to analyze the
activated transitions between meta-bassins, both in the aging regime deep in
the glass phase and near the glass transition. We observe numerically that
structural relaxation occurs mostly along a very small number of
nearly-unstable extended modes. This number decays for denser packing and is
significantly lowered as the system undergoes the glass transition. This
observation supports that structural relaxation and marginal modes share common
properties. In particular theoretical results [2, 3] show that these modes
extend at least on some length scale where
corresponds to the maximum packing fraction, i.e. the jamming
transition. This prediction is consistent with very recent numerical
observations of sheared systems near the jamming threshold [4], where a similar
exponent is found, and with the commonly observed growth of the rearranging
regions with compression near the glass transition.Comment: 6 pages, improved versio
Dephasing of Electrons by Two-Level Defects in Quantum Dots
The electron dephasing time in a diffusive quantum dot is
calculated by considering the interaction between the electron and dynamical
defects, modelled as two-level system. Using the standard tunneling model of
glasses, we obtain a linear temperature dependence of ,
consistent with the experimental observation. However, we find that, in order
to obtain dephasing times on the order of nanoseconds, the number of two-level
defects needs to be substantially larger than the typical concentration in
glasses. We also find a finite system-size dependence of , which
can be used to probe the effectiveness of surface-aggregated defects.Comment: two-column 9 page
Instantaneous Normal Mode Analysis of Supercooled Water
We use the instantaneous normal mode approach to provide a description of the
local curvature of the potential energy surface of a model for water. We focus
on the region of the phase diagram in which the dynamics may be described by
the mode-coupling theory. We find, surprisingly, that the diffusion constant
depends mainly on the fraction of directions in configuration space connecting
different local minima, supporting the conjecture that the dynamics are
controlled by the geometric properties of configuration space. Furthermore, we
find an unexpected relation between the number of basins accessed in
equilibrium and the connectivity between them.Comment: 5 pages, 4 figure
REDD+ on the rocks? Conflict over forest and politics of justice in Vietnam
In Vietnam, villagers involved in a REDD+ (reduced emissions from deforestation and forest degradation) pilot protect areas with rocks which have barely a tree on them. The apparent paradox indicates how actual practices differ from general ideas about REDD+ due to ongoing conflict over forest, and how contestations over the meaning of justice are a core element in negotiations over REDD+. We explore these politics of justice by examining how the actors involved in the REDD+ pilot negotiate the particular subjects, dimensions, and authority of justice considered relevant, and show how politics of justice are implicit to practical decisions in project implementation. Contestations over the meaning of justice are an important element in the practices and processes constituting REDD+ at global, national and local levels, challenging uniform definitions of forest justice and how forests ought to be managed
- …