Related papers: A microscopic perspective on heterogeneous catalys…
The phenomenon of the glass transition is an unresolved problem of condensed matter physics. Its prominent feature, the super-Arrhenius temperature dependence of the transport coefficients remains a challenge to be described over the full…
We discuss problems associated with the notion of pH in heterogeneous systems. For homogeneous systems, standardization protocols lead to a well defined quantity, which although different from S\o rensen's original idea of pH, is well…
Several puzzling regularities concerning the low temperature excitations of glasses are quantitatively explained by quantizing domain wall motions of the random first order glass transition theory. The density of excitations agrees with…
We consider the rate of transition for a particle between two metastable states coupled to a thermal environment for various magnitudes of the coupling strength, using the recently proposed infrequent metadynamics approach (Tiwary and…
We provide a simple Regge parametrization of forward hadronic scattering from the multi-TeV range down to approximately 1 GeV above the threshold of each reaction. We show how, at these relatively low energies, mass effects are relevant and…
Through an appropriate election of the molecular orbital basis, we show analytically that the molecular dissociation occurring in a Heyrovsky reaction can be interpreted as a Quantum Dynamical Phase Transition, i.e., an analytical…
We examined the transverse momentum spectra of various identified particles, across different multiplicity classes in proton-proton collisions at a center-of-mass energy of $\sqrt{s}$ = 7 TeV. Utilizing the Tsallis and Hagedorn models,…
The richness of phenomena occurring in heavy-ion collisions calls for microscopic approaches where the motion of each nucleon is treated quantum mechanically. The most popular microscopic approach for low-energy collisions between atomic…
A one-dimensional and stationary reactor model is presented to describe the catalytic conversion of a gaseous hydrocarbon fuel with air and steam to synthesis gas by autothermal reforming (ATR) and catalytic partial oxidation (CPO). The…
We propose a general stochastic formalism for describing the evolution of chemical reactions involving a finite number of molecules. This approach is consistent with the statistical analysis based on the Chemical Master Equation, and…
We demonstrate and characterize a first-principles approach to modeling the mass action dynamics of metabolism. Starting from a basic definition of entropy expressed as a multinomial probability density using Boltzmann probabilities with…
We show that the various crossovers between dynamical regimes observed in experiments and simulations of supercooled liquids can be explained in simple terms from the existence and statistical properties of dynamical heterogeneities. We…
Increasing anthropogenic carbon dioxide (CO$_2$) emissions have led to rising global temperatures and climate change. Using earth-abundant metal-oxide catalysts such as Cu$_2$O for reducing CO$_2$ through RWGS reaction seems lucrative. In…
A computational procedure is developed for determining the conversion probability for reaction-diffusion systems in which a first-order catalytic reaction is performed over active particles. We apply this general method to systems on metric…
The scaling behavior of factorial moments of the differences in multiplicities between well separated bins in heavy-ion collisions is proposed as a probe of quark-hadron phase transition. The method takes into account some of the physical…
An understanding of the precise nature of a chemical reactivity descriptor is of utmost interest to quantum chemists. In the present investigation an attempt has been made to analyze whether the electrophilicity index is a reliable…
Astrochemical surface reactions are thought to be responsible for the formation of complex organic molecules, which are of potential importance for the origin of life. In a situation, when the chemical composition of dust surfaces is not…
The generalized spherical Radon transform associates the mean values over spherical tori to a function $f$ defined on $\mathbb{S}^3 \subset \mathbb{H}$, where the elements of $\mathbb{S}^3$ are considered as quaternions representing…
Statistical properties of classical random process are considered in tomographic representation. The Radon integral transform is used to construct the tomographic form of kinetic equations. Relation of probability density on phase space for…
How does nonequilibrium activity modify the approach to a glass? This is an important question, since many experiments reveal the near-glassy nature of the cell interior, remodelled by activity. However, different simulations of dense…