Related papers: Stability of C20 fullerene chains
In steels and single-crystal superalloys the control of the formation of topologically close-packed (TCP) phases is critical for the performance of the material. The structural stability of TCP phases in multi-component transition-metal…
We study a gas of $N$ hard disks in a box with semi-periodic boundary conditions. The unperturbed gas is hyperbolic and ergodic (these facts are proved for N=2 and expected to be true for all $N\geq 2$). We study various perturbations by…
We have used density functional perturbation theory to investigate the stiffness of interatomic bonds in small clusters of Si, Sn and Pb. As the number of atoms in a cluster is decreased, there is a marked shortening and stiffening of…
The formation and evolution mechanism of fullerenes in the planetary nebula or in the interstellar medium are still not understood. Here we present the study on the cluster formation and the relative reactivity of fullerene cations (from…
We study the stability of holonomic quantum computations with respect to errors in assignment of control parameters. The general expression for fidelity is obtaned. In the small errors limit the simple formulae for the fidelity decrease…
The probability that an atom of hydrogen, initially in the 5g(m=4) state, survives a 90-fs pulse of 620 nm wavelength is calculated both by direct integration of the time-dependent Schroedinger equation and by a Floquet calculation. The two…
The adsorption of polydisperse ideal polymer chains is shown to be sensitive to the large N tail of the distribution of chains. If and only if the number of chains decays more slowly than exponentially then there is an adsorption transition…
The optimized structure and electronic properties of neutral and singly charged magnesium clusters have been investigated using ab initio theoretical methods based on density-functional theory and systematic post-Hartree-Fock many-body…
The stability and electronic structure of a single monatomic Al wire has been studied using the ab initio pseudopotential method. The Al wire undergoes two structural rearrangements under compression, i.e., zigzag configurations at angles…
An inelastic excitation and cluster-decay experiment $\rm {^2H}(^{16}C,~{^{4}He}+{^{12}Be}~or~{^{6}He}+{^{10}Be}){^2H}$ was carried out to investigate the linear-chain clustering structure in neutron-rich $\rm {^{16}C}$. For the first time,…
The fcc-based structure of Yb2.75C60 is unique among metal-doped fullerene compounds, exhibiting long-range-ordered vacancies, significantly off-centered divalent Yb cations, and distorted, crystallographically inequivalent, orientationally…
A general linear stability analysis of simple metal nanowires is presented using a continuum approach which correctly accounts for material-specific surface properties and electronic quantum-size effects. The competition between surface…
Since more than twenty years it is known that deposition of Ag onto Si(111)-(7\times7) leads under certain conditions to the formation of so-called "ring-like" clusters, that are particularly stable among small clusters. In order to resolve…
Background The nuclear structure of the cluster bands in $^{20}$Ne presents a challenge for different theoretical approaches. It is especially difficult to explain the broad 0$^+$, 2$^+$ states at 9 MeV excitation energy. Simultaneously, it…
In this communication we analyze the stability, reactivity and possible aromatic behavior of two recently reported clusters (Reveles J. U.; Khanna S. N.; Roach P. J.; Castleman A. W. jr. Proc. Natl. Acad. Sci, 2006, 103, 18405), viz., Al7C-…
We investigate the chain conformation of ring polymers confined to a cylindrical nanochannel using both theoretical analysis and three dimensional Langevin dynamics simulations. We predict that the longitudinal size of a ring polymer scales…
The capacity of carbon atomic chains with different terminations for hydrogen storage is studied using first-principles density functional theory calculations. Unlike the physisorption of H2 on the H-terminated chain, we show that two Li…
Clathrates are a class of inclusion compounds that offer various useful and surprising phenomena, including superconductivity, thermoelectricity, and the potential for high-density ion storage. Stability conditions within the…
Multiblock copolymer chains in implicit nonselective solvents are studied by Monte Carlo method which employs a parallel tempering algorithm. Chains consisting of 120 $A$ and 120 $B$ monomers, arranged in three distinct microarchitectures:…
In an effort to further our interest in understanding basic chemistry of interstellar molecules, we carry out here an extensive investigation of the stabilities of interstellar carbon chains; Cn, H2Cn, HCnN and CnX (X=N, O, Si, S, H, P, H-,…