Metal homoepitaxial growth at very low temperatures: Lattice-gas models with restricted downward funneling

We develop and analyze 1+1- and 2+1-dimensional (d) models for multilayer homoepitaxial growth of metal films at low temperatures (T), where intralayer terrace diffusion is inoperative. This work is motivated by recent variable-temperature scanning tunneling microscopy studies of Ag/Ag(100) homoepitaxy down to 50 K. Adsorption sites are bridge sites in our 1+1d models, and fourfold hollow sites in our 2+1d models for fcc(100) or bcc(100) surfaces. For growth at 0 K, we introduce a “restricted downward funneling” model, wherein deposited atoms can be trapped on the sides of steep nanoprotrusions rather than always funneling down to lower adsorption sites. This leads to the formation of overhangs and internal defects (or voids), and associated “rough” growth. Upon increasing T, we propose that a series of interlayer diffusion processes become operative, with activation barriers below that for terrace diffusion. This leads to “smooth” growth of the film for higherT (but still within the regime where terrace diffusion is absent), similar to that observed in models incorporating “complete downward funneling.

Phase separation in hydrogen-helium mixtures at Mbar pressures

The properties of hydrogen-helium mixtures at Mbar pressures and intermediate temperatures (4000 to 10000 K) are calculated with first-principles molecular dynamics simulations. We determine the equation of state as a function of density, temperature, and composition and, using thermodynamic integration, we estimate the Gibbs free energy of mixing, thereby determining the temperature, at a given pressure, when helium becomes insoluble in dense metallic hydrogen. These results are directly relevant to models of the interior structure and evolution of Jovian planets. We find that the temperatures for the demixing of helium and hydrogen are sufficiently high to cross the planetary adiabat of Saturn at pressures around 5 Mbar; helium is partially miscible throughout a significant portion of the interior of Saturn, and to a lesser extent in Jupiter.Comment: 6 pages, 7 figures. Published in "Proceedings of the National Academy of Sciences USA

Modeling of Metal(100) Homepitaxial Film Growth at Very Low Temperatures

We model the growth of Ag films deposited on Ag(100) below 140K. Our recent Variable-Temperature Scanning Tunneling Microscopy (VTSTM) studies reveal “smooth growth” from 120-140K, consistent with earlier diffraction studies. However, we also find rougher growth for lower temperatures. This unexpected behavior is modeled by describing the deposition dynamics using a “restricted downward funneling” model, wherein deposited atoms get caught on the sides of steep nanoprotrusions (which are prevalent below 120K), rather than always funneling down to lower four-fold hollow adsorption sites. At OK, where no thermal diffusion processes are operative, this leads to the formation of overhangs and internal defects (or voids). Above 40K, low barrier interlayer diffusion processes become operative, producing the observed smooth growth by 120K. We also discuss how the apparent film morphology mapped out by the STM tip “smears” features of the actual film morphology (which are small at low temperature), and also can lead to underestimation of the roughness

Analytic binary alloy volume-concentration relations and the deviation from Zen`s law

Alloys expand or contract as concentrations change, and the resulting relationship between atomic volume and alloy content is an important property of the solid. While a well-known approximation posits that the atomic volume varies linearly with concentration (Zen`s law), the actual variation is more complicated. Here we use an apparent size of the solute (solvent) atom and the elasticity to derive explicit analytical expressions for the atomic volume of binary solid alloys. Two approximations, continuum and terminal, are proposed. Deviations from Zen`s law are studied for 22 binary alloy systems

Development and ordering of mounds during metal(100) homoepitaxy

Scanning-tunneling microscopy studies combined with atomistic modeling for Ag/Ag(100) homoepitaxy reveal complex growth behavior at 300 K: initial smooth growth up to ∼25 ML, where three-dimensional (3D) mounds develop from 2D islands; then an extended regime of mound steepening for ∼1000 ML producing unexpected rough growth; and finally an asymptotic regime with cooperative mound ordering and coalescence dynamics quite distinct from that in systems with up-down symmetry. The steepening regime is compressed upon lowering temperature, so while initial growth is rougher, asymptotic growth is actually smoother

Morphology of multilayer Ag/Ag(100) films versus deposition temperature: STM analysis and atomistic lattice-gas modeling

Scanning tunneling microscopy is used to analyze the nanoscale morphology of 25 ML films of Ag deposited on Ag(100) at temperatures (T) between 55 and 300 K. A transition from self-affine growth to “mound formation” occurs as T increases above about 140 K. The roughness decreases with increasing T up until 140 K in the self-affine growth regime, and then increases until about 210 K before decreasing again in the mounding regime. We analyze mounding behavior via a lattice-gas model incorporating: downward funneling of depositing atoms from step edges to lower fourfold hollow adsorption sites; terrace diffusion of adatoms with a barrier of 0.40 eV leading to irreversible island formation in each layer; efficient transport of adatoms along island edges to kink sites; and downward thermal transport of adatoms inhibited by a step-edge barrier of 0.06–0.07 eV along close-packed step edges (but with no barrier along kinked or open steps). This model reasonably recovers the T-dependence of not just the roughness, but also of the mound slopes and lateral dimensions above 190 K. To accurately describe lateral dimensions, an appropriate treatment of the intralayer merging of growing islands is shown to be critical. To describe behavior below 190 K, one must account for inhibited rounding of kinks by adatoms at island edges, as this controls island shapes, and thus the extent of open steps and of easy downward transport. Elsewhere, we describe the low-T regime of self-affine growth (with no terrace diffusion) accounting for a breakdown of the simple downward funneling picture

A platform for efficient, thiol-stable conjugation to albumin's native single accessible cysteine

Herein we report the use of bromomaleimides for the construction of stable albumin conjugates via conjugation to its native, single accessible, cysteine followed by hydrolysis. Advantages over the classical maleimide approach are highlighted in terms of quantitative hydrolysis and absence of undesirable retro-Michael deconjugation

Social physique anxiety and physical activity in early adolescent girls : the influence of maturation and physical activity motives

This study considered the influence of maturation on social physique anxiety (SPA), the relationship between SPA and current and future physical activity (PA) levels and the influence of motives for physical activity on this relationship in early adolescent girls (n=162; mean age=11.80±0.33 years). Participants completed the Pubertal Development Scale, the modified Social Physique Anxiety Scale and the Motives for Physical Activity Scale at baseline and the Physical Activity Questionnaire for Older Children at baseline and 6 months later. The girls became less active across the 6 months and girls in the early stages of maturation had significantly lower SPA than the girls in the middle and late stages of maturation. SPA was not related to current or future physical activity in the sample as a whole. Cluster analysis identified four groups with different motive profiles and the High Appearance and Fitness group demonstrated a moderate negative relationship between SPA and PA at phase 1, whereas the other groups did not. These findings indicate that SPA may increase with maturation and the relationship between SPA and PA is dependent on reasons for being active. For girls who are motivated to be active primarily by body-related reasons SPA is likely to lead to lower levels of PA