Monte Carlo simulations of interfaces in polymer blends

We review recent simulation studies of interfaces between immiscible homopolymer phases. Special emphasis is given to the presentation of efficient simulation techniques and powerful methods of data analysis, such as the analysis of capillary wave spectra. Possible reasons for polymer incompatibility and ways to relate model dependent interaction parameters to an effective Flory Huggins parameter are discussed. Various interfaces are then considered and characterised with respect to their microscopic structure and thermodynamic properties. In particular, interfaces between homopolymers of equal or disparate stiffness are studied, interfaces containing diblock copolymers, and interfaces confined in thin films. The results are related to the phase behaviour of ternary homopolymer/copolymer systems, and to wetting transitions in thin films.Comment: To appear in Annual Reviews of Computational Physics, edt. D. Stauffe

Overview of a new slicing method: Fixed Abrasive Slicing Technique (FAST)

The fixed abrasive slicing technique (FAST) was developed to slice silicon ingots more effectively. It was demonstrated that 25 wafers/cm can be sliced from 10 cm diameter and 19 wafers/cm from 15 cm diameter ingots. This was achieved with a combination of machine development and wire-blade development programs. Correlation was established between cutting effectiveness and high surface speeds. A high speed slicer was designed and fabricated for FAST slicing. Wirepack life of slicing three 10 cm diameter ingots was established. Electroforming techniques were developed to control widths and prolong life of wire-blades. Economic analysis indicates that the projected add-on price of FAST slicing is compatible with the DOE price allocation to meet the 1986 cost goals

Wire blade development for Fixed Abrasive Slicing Technique (FAST) slicing

A low cost, effective slicing method is essential to make ingot technology viable for photovoltaics in terrestrial applications. The fixed abrasive slicing technique (FAST) combines the advantages of the three commercially developed techniques. In its development stage FAST demonstrated cutting effectiveness of 10 cm and 15 cm diameter workpieces. Wire blade development is still the critical element for commercialization of FAST technology. Both impregnated and electroplated wire blades have been developed; techniques have been developed to fix diamonds only in the cutting edge of the wire. Electroplated wires show the most near term promise and this approach is emphasized. With plated wires it has been possible to control the size and shape of the electroplating, it is expected that this feature reduces kerf and prolongs the life of the wirepack

Monte Carlo simulations of copolymers at homopolymer interfaces: Interfacial structure as a function of the copolymer density

By means of extensive Monte Carlo simulations of the bond fluctuation model, we study the effect of adding AB diblock copolymers on the properties of an interface between demixed homopolymer phases. The parameters are chosen such that the homopolymers are strongly segregated, and the whole range of copolymer concentrations in the two phase coexistence region is scanned. We compare the ``mushroom'' regime, in which copolymers are diluted and do not interact with each other, with the ``wet brush'' regime, where copolymers overlap and stretch, but are still swollen by the homopolymers. A ``dry brush'' regime is never entered for our choice of chain lengths. ``Intrinsic'' profiles are calculated using a block analysis method introduced by us in earlier work. We discuss density profiles, orientational profiles and contact number profiles. In general, the features of the profiles are similar at all copolymer concentrations, however, the profiles in the concentrated regime are much broader than in the dilute regime. The results compare well with self-consistent field calculations.Comment: to appear in J. Chem. Phy

Device for in-situ cleaving of hard crystals

Cleaving crystals in a vacuum chamber is a simple method for obtaining atomically flat and clean surfaces for materials that have a preferential cleaving plane. Most in-situ cleavers use parallel cutting edges that are applied from two sides on the sample. We found in ambient experiments that diagonal cutting pliers, where the cleavage force is introduced in a single point instead of a line work very well also for hard materials. Here, we incorporate the diagonal cutting plier principle in a design compatible with ultra-high vacuum requirements. We show optical microscopy (mm scale) and atomic force microscopy (atomic scale) images of NiO(001) surfaces cleaved with this device.Comment: 7 pages, 3 figures Submitted to Review of Scientific Instruments (2005

Searching atomic spin contrast on nickel oxide (001) by force microscopy

The (001) surface of NiO, an antiferromagnet at room temperature, was investigated under ultra-high vacuum conditions with frequency modulation atomic force microscopy (FM-AFM). The antiferromagnetic coupling between ions leads to a spin superstructure on (001) surfaces. Exchange interaction between the probe of a force microscope and the NiO (001) surface should allow to image spin superstructures in real space. The surface was imaged with three different probing tips: nonmagnetic W tips, ferromagnetic Co tips and antiferromagnetic NiO tips - and atomic resolution was achieved with all three of them in various distance regimes and in several channels. Evidence for spin contrast was obtained in experiments that utilize NiO tips and oscillation amplitudes in the \AA-regime, where optimal signal-to-noise ratio is expected. The spin contrast is weaker than expected and only visible in Fourier space images.Comment: 7 pages, 6 figures, submitted to Physical Review

Disorder Induced Stripes in d-Wave Superconductors

Stripe phases are observed experimentally in several copper-based high-Tc superconductors near 1/8 hole doping. However, the specific characteristics may vary depending on the degree of dopant disorder and the presence or absence of a low- temperature tetragonal phase. On the basis of a Hartree-Fock decoupling scheme for the t-J model we discuss the diverse behavior of stripe phases. In particular the effect of inhomogeneities is investigated in two distinctly different parameter regimes which are characterized by the strength of the interaction. We observe that small concen- trations of impurities or vortices pin the unidirectional density waves, and dopant disorder is capable to stabilize a stripe phase in parameter regimes where homogeneous phases are typically favored in clean systems. The momentum-space results exhibit universal features for all coexisting density-wave solutions, nearly unchanged even in strongly disordered systems. These coexisting solutions feature generically a full energy gap and a particle-hole asymmetry in the density of states.Comment: 28 pages, 8 figure

Thermal Fluctuations in a Lamellar Phase of a Binary Amphiphile-Solvent Mixture: A Molecular Dynamics Study

We investigate thermal fluctuations in a smectic A phase of an amphiphile-solvent mixture with molecular dynamics simulations. We use an idealized model system, where solvent particles are represented by simple beads, and amphiphiles by bead-and-spring tetramers. At a solvent bead fraction of 20 % and sufficiently low temperature, the amphiphiles self-assemble into a highly oriented lamellar phase. Our study aims at comparing the structure of this phase with the predictions of the elastic theory of thermally fluctuating fluid membrane stacks [Lei et al., J. Phys. II 5, 1155 (1995)]. We suggest a method which permits to calculate the bending rigidity and compressibility modulus of the lamellar stack from the simulation data. The simulation results are in reasonable agreement with the theory

Chemical ordering and composition fluctuations at the (001) surface of the Fe-Ni Invar alloy

We report on a study of (001) oriented fcc Fe-Ni alloy surfaces which combines first-principles calculations and low-temperature STM experiments. Density functional theory calculations show that Fe-Ni alloy surfaces are buckled with the Fe atoms slightly shifted outwards and the Ni atoms inwards. This is consistent with the observation that the atoms in the surface layer can be chemically distinguished in the STM image: brighter spots (corrugation maxima with increased apparent height) indicate iron atoms, darker ones nickel atoms. This chemical contrast reveals a c2x2 chemical order (50% Fe) with frequent Fe-rich defects on Invar alloy surface. The calculations also indicate that subsurface composition fluctuations may additionally modulate the apparent height of the surface atoms. The STM images show that this effect is pronounced compared to the surfaces of other disordered alloys, which suggests that some chemical order and corresponding concentration fluctuations exist also in the subsurface layers of Invar alloy. In addition, detailed electronic structure calculations allow us to identify the nature of a distinct peak below the Fermi level observed in the tunneling spectra. This peak corresponds to a surface resonance band which is particularly pronounced in iron-rich surface regions and provides a second type of chemical contrast with less spatial resolution but one that is essentially independent of the subsurface composition.Comment: 7 pages, 5 figure

Fatal lymphoproliferation and acute monocytic leukemia-like disease following infectious mononucleosis in the elderly

Three elderly patients are reported, in whom serologically confirmed recent infectious mononucleosis is followed by fatal lymphoproliferation (case 1), by acute monocytic leukemia (case 2), and by acute probably monocytic leukemia (case 3)