Interplay of wetting and elasticity in the nucleation of carbon nanotubes

We use molecular dynamics and simple thermodynamic arguments to model the interaction between catalyst nanoparticles and carbon nanotube caps, and we illustrate how the competition between cap strain energy and adhesion plays a role in the lifting of these caps from the catalyst surface prior to tube elongation. Given a particular cap structure, we show that there is a lower bound on the catalyst size from which the cap can lift. This lower bound depends on the cap's spontaneous curvature and bending rigidity, as well as the catalyst binding strength, and it explains the mismatch between single-walled carbon nanotube and catalyst diameters observed in prior experiments. These findings offer new insight into the nucleation of carbon nanotubes, and they may lead to the design of catalysts that can better control nanotube structure.     

Tailoring the trajectory of cell rolling with cytotactic surfaces

Cell separation technology is a key tool for biological studies and medical diagnostics that relies primarily on chemical labeling to identify particular phenotypes. An emergent method of sorting cells based on differential rolling on chemically patterned substrates holds potential benefits over existing technologies, but the underlying mechanisms being exploited are not well characterized. In order to better understand cell rolling on complex surfaces, a microfluidic device with chemically patterned stripes of the cell adhesion molecule P-selectin was designed. The behavior of HL-60 cells rolling under flow was analyzed using a high-resolution visual tracking system. This behavior was then correlated to a number of established predictive models. The combination of computational modeling and widely available fabrication techniques described herein represents a crucial step toward the successful development of continuous, label-free methods of cell separation based on rolling adhesion.     

Gibbs energy minimization in gas + liquid + solid systems

An algorithm is described for the calculation of equilibrium compositions of multiple highly nonideal liquid and solid solutions, as well as pure stoichiometric phases, coexisting with a mixture of ideal gas species at fixed temperature and pressure. The total Gibbs free energy of the system is approximated as a quadratic function of the compositions of the gas phase and stable condensed phases, in an orthogonal basis set of pure elements. Only changes in thermal energy and energy related to pressure‐volume work are considered. The total Gibbs energy is minimized directly by use of both the slope and the curvature of the Gibbs energy surface with respect to the gas and condensed phase compositions in the basis elements. The algorithm described has been implemented in a computer code for the calculation of condensation sequences for cosmic nebular gases enriched in dust. Machine, compiler and library requirements for performing these calculations in the C programming language are compared. © 2000 John Wiley & Sons, Inc. J Comput Chem 21: 247–256, 2000     

Toward extracting $$\gamma $$ from $$B\rightarrow DK$$ without binning

SABRE (Sodium iodide with Active Background REjection) is a direct detection dark matter experiment based on arrays of radio-pure NaI(Tl) crystals. The experiment aims at achieving an ultra-low background rate and its primary goal is to confirm or refute the results from the DAMA/LIBRA experiment. The SABRE Proof-of-Principle phase was carried out in 2020–2021 at the Gran Sasso National Laboratory (LNGS), in Italy. The next phase consists of two full-scale experiments: SABRE South at the Stawell Underground Physics Laboratory, in Australia, and SABRE North at LNGS. This paper focuses on SABRE South and presents a detailed simulation of the detector, which is used to characterise the background for dark matter searches including DAMA/LIBRA-like modulation. We estimate an overall background of 0.72 cpd/kg/\(\hbox {keV}_{\hbox {{ee}}}\) in the energy range 1–6 \(\hbox {keV}_{\hbox {{ee}}}\) primarily due to radioactive contamination in the crystals. Given this level of background and considering that the SABRE South has a target mass of 50 kg, we expect to exclude (confirm) DAMA/LIBRA modulation at \(4~(5)\sigma \) within 2.5 years of data taking.

     

Competitive facility location under attrition

Equilibrium problems provide a mathematical framework which includes optimization, variational inequalities, fixed point and saddle point problems, and noncooperative games as particular cases. In this paper sufficient conditions for the existence of solutions of an equilibrium problem are given by weakening the assumption of quasiconvexity of the involved equilibrium bifunction. The existence of solutions is established both in presence of compactness of the feasible set as well with a coercivity assumption. The results are obtained in an infinite dimensional setting, and they are based on the so called finite solvability property which is weaker than the recently introduced finite intersection property and in turn, weaker than most common cyclic and proper quasimonotonicity. Some examples are presented to illustrate the various cases in which other existence results for equilibrium problems do not apply. Finally, applications to the solution of quasiequilibrium problems, quasioptimization problems and generalized quasivariational inequalities are discussed.