Search results for " Thermodynamics"
showing 10 items of 288 documents
Activity mediated phase separation: Can we understand phase behavior of the nonequilibrium problem from an equilibrium approach?
2016
We present results for structure and dynamics of mixtures of active and passive particles, from molecular dynamics (MD) simulations and integral equation theory (IET) calculations, for a physically motivated model. The perfectly passive limit of the model corresponds to the phase-separating Asakura-Oosawa model for colloid-polymer mixtures in which, for the present study, the colloids are made self-propelling by introducing activity in accordance with the well known Vicsek model. Such activity facilitates phase separation further, as confirmed by our MD simulations and IET calculations. Depending upon the composition of active and passive particles, the diffusive motion of the active specie…
Static and dynamic screening effects in the electrostatic self-assembly of nano-particles.
2014
In the description of charge screening in the electrostatic self-assembly of nanoparticles (molecules) embedded into a polar solvent, the static screening effects (a contribution associated with the rapid spatial redistribution of small and highly mobile ions of a solvent) are traditionally treated phenomenologically, using the Yukawa short-range potential for describing the interaction between these particles. However, this model has a limited range of applicability being valid only for infinitely diluted systems and high salt concentrations. During a slow self-assembling process with nanoparticle formation, very dense structural elements (aggregates) are formed, in which the distances bet…
Disorder and interactions in systems out of equilibrium : the exact independent-particle picture from density functional theory
2017
Density functional theory (DFT) exploits an independent-particle-system construction to replicate the densities and current of an interacting system. This construction is used here to access the exact effective potential and bias of non-equilibrium systems with disorder and interactions. Our results show that interactions smoothen the effective disorder landscape, but do not necessarily increase the current, due to the competition of disorder screening and effective bias. This puts forward DFT as a diagnostic tool to understand disorder screening in a wide class of interacting disordered systems.
Entropy, transverse entropy and partitions of unity
1994
AbstractThe topological entropy of a transformation is expressed in terms of partitions of unity. The transverse entropy of a flow tangential to a foliation is defined and expresed in a similar way. The geometric entropy of a foliation of a Riemannian manifold is compared with the transverse entropy of its geodesic flow.
Thermal solitons in nanotubes
2022
Starting from a recent proposal of a nonlinear Maxwell-Cattaneo equation for the heat transport with relaxational effects at nanoscale, in a special case of thermal-wave propagation we derive a nonlinear Schrodinger equation for the amplitudes of the heatflux perturbation. The complete integrability of the obtained equation is investigated in order to prove the existence of infinite conservation laws, as well as the existence of infinite exact solutions. In this regards, we have considered the simplest nontrivial solutions, namely, the bright and dark (thermal) solitons, which may be interesting for energy transport and for information transmission in phononic circuits. (c) 2022 Elsevier B.…
Entropy-Based Classifier Enhancement to Handle Imbalanced Class Problem
2017
The paper presents a possible enhancement of entropy-based classifiers to handle problems, caused by the class imbalance in the original dataset. The proposed method was tested on synthetic data in order to analyse its robustness in the controlled environment with different class proportions. As also the proposed method was tested on the real medical data with imbalanced classes and compared to the original classification algorithm results. The medical field was chosen for testing due to frequent situations with uneven class ratios.
Are nonlinear model-free conditional entropy approaches for the assessment of cardiac control complexity superior to the linear model-based one?
2016
Objective : We test the hypothesis that the linear model-based (MB) approach for the estimation of conditional entropy (CE) can be utilized to assess the complexity of the cardiac control in healthy individuals. Methods : An MB estimate of CE was tested in an experimental protocol (i.e., the graded head-up tilt) known to produce a gradual decrease of cardiac control complexity as a result of the progressive vagal withdrawal and concomitant sympathetic activation. The MB approach was compared with traditionally exploited nonlinear model-free (MF) techniques such as corrected approximate entropy, sample entropy, corrected CE, two k -nearest-neighbor CE procedures and permutation CE. Electroca…
Characterization of entropy measures against data loss: Application to EEG records
2012
This study is aimed at characterizing three signal entropy measures, Approximate Entropy (ApEn), Sample Entropy (SampEn) and Multiscale Entropy (MSE) over real EEG signals when a number of samples are randomly lost due to, for example, wireless data transmission. The experimental EEG database comprises two main signal groups: control EEGs and epileptic EEGs. Results show that both SampEn and ApEn enable a clear distinction between control and epileptic signals, but SampEn shows a more robust performance over a wide range of sample loss ratios. MSE exhibits a poor behavior for ratios over a 40% of sample loss. The EEG non-stationary and random trends are kept even when a great number of samp…
Quantification and automatized adaptive detection of in vivo and in vitro neuronal bursts based on signal complexity.
2015
In this paper, we propose employing entropy values to quantify action potential bursts in electrophysiological measurements from the brain and neuronal cultures. Conventionally in the electrophysiological signal analysis, bursts are quantified by means of conventional measures such as their durations, and number of spikes in bursts. Here our main aim is to device metrics for burst quantification to provide for enhanced burst characterization. Entropy is a widely employed measure to quantify regularity/complexity of time series. Specifically, we investigate the applicability and differences of spectral entropy and sample entropy in the quantification of bursts in in vivo rat hippocampal meas…
Ab Initio Thermodynamics of Oxygen Vacancies and Zinc Interstitials in ZnO.
2015
ZnO is an important wide band gap semiconductor with potential application in various optoelectronic devices. In the current contribution, we explore the thermodynamics of oxygen vacancies and zinc interstitials in ZnO from first-principles phonon calculations. Formation enthalpies are evaluated using hybrid DFT calculations, and phonons are addressed using the PBE and the PBE+U functionals. The phonon contribution to the entropy is most dominant for oxygen vacancies, and their Gibbs formation energy increases when including phonons. Finally, inclusion of phonons decreases the Gibbs formation energy difference of the two defects and is therefore important when predicting their equilibrium c…