Adsorption of Metals on (100) Metallic Surfaces: Monte Carlo Simulations and Geometrical Phase Transitions.

Adsorption and continuous phase transitions (percolation) of metals on (100) metallic surfaces are studied by means of Monte Carlo simulations and the finite-size scaling theory. The studied systems are Ag/Au(100), Au/Ag(100), Ag/Pt(100), and Pt/Ag(100), and the embedded atom method (EAM) is employed for energy calculations. Pairwise interactions are also considered for comparative purposes. The study of critical exponents reveals that these systems belong to the same universality as random sequential adsorption (RSA). For the four systems studied, and the two kinds of interactions considered, phase diagrams of percolation threshold, θc, as a function of temperature are presented. In all cases, and for all temperatures, θc is always below the value corresponding to RSA, as expected for attractive interactions, and it tends to that value as T → ∞. At intermediate temperatures, a particular behavior is found for EAM interactions.

Monte Carlo simulation of elongating metallic nanowires in the presence of surfactants.

Nanowires of different metals undergoing elongation were studied by means of canonical Monte Carlo simulations and the embedded atom method representing the interatomic potentials. The presence of a surfactant medium was emulated by the introduction of an additional stabilization energy, represented by a parameter Q. Several values of the parameter Q and temperatures were analyzed. In general, it was observed for all studied metals that, as Q increases, there is a greater elongation before the nanowire breaks. In the case of silver, linear monatomic chains several atoms long formed at intermediate values of Q and low temperatures. Similar observations were made for the case of silver-gold alloys when the medium interacted selectively with Ag.

Environmental risk assessment of arsenic and fluoride in the Chaco Province, Argentina: research advances.

The arsenic (As) and fluoride (F⁻) concentration in groundwater and potential adverse human health risk was investigated in the Central-West Region of the Chaco Province, northern Argentina. The mean concentration of As in shallow groundwater was 95 µg/L, where 76% of samples exceeded the World Health Organization (WHO) guideline value of 10 µg/L, while in deep groundwater it was 90 µg/L, where 63% samples exceeded 10 µg/L. For As health risk assessment, the average daily dose, hazard quotient (HQ), and cancer risk were calculated. The values of HQ were found to be >1 in 77% of samples. This level of contamination is considered to constitute a high chronic risk compared with U.S. Environmental Protection Agency (EPA) guidelines. Further, a significant portion of the population has lifetime carcinogenic risk >10⁻4 and may suffer from cancer. A positive correlation was observed between As and F⁻ in groundwater. The Código Alimentario Argentino (CAA) suggested a limit of F⁻ in drinking water as low as 0.8 mg/L under tropical environmental conditions; however, in shallow (39%) and deep groundwater (32%), samples exceeded these values. Exposure to F⁻ was calculated and compared with the adequate intake of minimal safe level exposure dose of 0.05 mg/kg/d and it was noted that 42% of population may be at high risk of fluorosis. Chronic exposure to high As and F⁻ levels in this population represents a concern due to possible adverse health effects attributed to these elements.