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Nathan M. Urban

Publications and source records attributed to Nathan M. Urban.

24 records · Page 2Linked to original sources

Model Structural Inference using Local Dynamic Operators

This paper focuses on the problem of quantifying the effects of model-structure uncertainty in the context of time-evolving dynamical systems. This is motivated by multi-model uncertainty in computer physics simulations: developers often make different modeling choices in numerical approximations and process simplifications, leading to different numerical codes that ostensibly represent the same underlying dynamics. We consider model-structure inference as a two-step methodology: the first step is to perform system identification on numerical codes for which it is possible to observe the full state; the second step is structural uncertainty quantification (UQ), in which the goal is to search candidate models "close" to the numerical code surrogates for those that best match a quantity-of-interest (QOI) from some empirical dataset. Specifically, we: (1) define a discrete, local representation of the structure of a partial differential equation, which we refer to as the "local dynamical operator" (LDO); (2) identify model structure non-intrusively from numerical code output; (3) non-intrusively construct a reduced order model (ROM) of the numerical model through POD-DEIM-Galerkin projection; (4) perturb the ROM dynamics to approximate the behavior of alternate model structures; and (5) apply Bayesian inference and energy conservation laws to calibrate a LDO to a given QOI. We demonstrate these techniques using the two-dimensional rotating shallow water (RSW) equations as an example system.

math.DS↗

Properties of low density quantum fluids within nanopores

The behavior of quantum fluids (4He and H2) within nanopores is explored in various regimes, using several different methods. A focus is the evolution of each fluid's behavior as pore radius R is increased. Results are derived with the path integral Monte Carlo method for the finite temperature (T) behavior of quasi-one-dimensional (1D) liquid 4He and liquid H2, within pores of varying R. Results are also obtained, using a density functional method, for the T=0 behavior of 4He in pores of variable R.

cond-mat.stat-mech↗

Structure and heat capacity of Ne and Xe adsorbed on a bundle of carbon nanotubes

The structural and thermal properties of Ne and Xe gases adsorbed on the outer surface of a large nanotube bundle have been evaluated with computer simulation. The potential energy model and numerical techniques were used previously to study Ar [N. M. Urban, S. M. Gatica, M. W. Cole, and J. L. Riccardo, ``Correlation functions and thermal properties of Ar adsorbed on the external surface of a bundle of carbon nanotubes'', Phys. Rev. B 71, 245410 (2005)]. Heat capacity results for Ne and Xe exhibit peaks associated with reordering and ``stripe'' melting transitions for these gases.

cond-mat.stat-mech↗

Quantum fluids in nanopores

We describe calculations of the properties of quantum fluids inside nanotubes of various sizes. Very small radius ($R$) pores confine the gases to a line, so that a one-dimensional (1D) approximation is applicable; the low temperature behavior of 1D $^4$He is discussed. Somewhat larger pores permit the particles to move off axis, resulting eventually in a transition to a cylindrical shell phase--a thin film near the tube wall; we explored this behavior for H$_2$. At even larger $R\sim 1$ nm, both the shell phase and an axial phase are present. Results showing strong binding of cylindrical liquids $^4$He and $^3$He are discussed.

cond-mat.stat-mech↗

Thermodynamic properties and correlation functions of Ar films on the surface of a bundle of nanotubes

We employ canonical Monte Carlo simulations to explore the properties of an Ar film adsorbed on the external surface of a bundle of carbon nanotubes. The study is concerned primarily with three properties: specific heat $c(T)$, differential heat of adsorption $q_d$, and Ar-Ar correlation functions $g(\mathbf{r})$. These measurable functions exhibit information about the dependence of film structure on coverage and temperature.

cond-mat.soft↗