Radiographic areal density measurements on the OMEGA EP laser system.

We describe two orthogonal radiography geometries at the OMEGA EP laser facility, which we refer to as side-on and face-on radiography. This setup can be used to determine quantitative information about the areal densities in solid, particulate, or liquid samples. We show sample images from these two different platforms that use the radiography diagnostic, one of material microjetting by the Richtmeyer-Meshkov instability and one of a deforming tin sample by the Rayleigh-Taylor instability, demonstrating the versatile applicability of such measurements in the field of high-energy density physics.

Observations of grain-boundary phase transformations in an elemental metal.

The theory of grain boundary (the interface between crystallites, GB) structure has a long history and the concept of GBs undergoing phase transformations was proposed 50 years ago. The underlying assumption was that multiple stable and metastable states exist for different GB orientations. The terminology 'complexion' was recently proposed to distinguish between interfacial states that differ in any equilibrium thermodynamic property.

MS-STEM-FEM: A parallelized multi-slice fluctuation TEM simulation tool.

Atomic configurations of glassy or amorphous materials containing medium-range order (MRO) may be identified by comparing fluctuation transmission electron microscopy (FTEM) measurements to FTEM simulations obtained using model configurations. Candidate model sizes have traditionally been much thinner than the samples measured experimentally, and publicly available FTEM simulation software has until now omitted microscope parameters, dynamical scattering, and the phase of the diffracted electron wave. We introduce MS-STEM-FEM, an open-source software package for simulating FTEM experiments using established multi-slice TEM simulation techniques to emulate experiment more closely by incorporating microscope parameters and simulating electron scattering and propagation as a complex valued wave.

Predicting phase behavior of grain boundaries with evolutionary search and machine learning.

The study of grain boundary phase transitions is an emerging field until recently dominated by experiments. The major bottleneck in the exploration of this phenomenon with atomistic modeling has been the lack of a robust computational tool that can predict interface structure. Here we develop a computational tool based on evolutionary algorithms that performs efficient grand-canonical grain boundary structure search and we design a clustering analysis that automatically identifies different grain boundary phases.

Shear viscosity for dense plasmas by equilibrium molecular dynamics in asymmetric Yukawa ionic mixtures.

We present molecular dynamics (MD) calculations of shear viscosity for asymmetric mixed plasma for thermodynamic conditions relevant to astrophysical and inertial confinement fusion plasmas. Specifically, we consider mixtures of deuterium and argon at temperatures of 100-500 eV and a number density of 10^{25} ions/cc. The motion of 30,000-120,000 ions is simulated in which the ions interact via the Yukawa (screened Coulomb) potential.

Diffusivity in asymmetric Yukawa ionic mixtures in dense plasmas.

In this paper we present molecular dynamics (MD) calculations of the interdiffusion coefficient for asymmetric mixed plasma for thermodynamic conditions relevant to astrophysical and inertial confinement fusion plasmas. Specifically, we consider mixtures of deuterium and argon at temperatures of 100-500 eV and a number density ∼10(25) ions/cm(3). The motion of 30,000-120,000 ions is simulated in which the ions interact via the Yukawa (screened Coulomb) potential.

Self-diffusivity and interdiffusivity of molten aluminum-copper alloys under pressure, derived from molecular dynamics.

We use molecular dynamics (MD) to simulate diffusion in molten aluminum-copper (AlCu) alloys. The self-diffusivities and Maxwell-Stefan diffusivities are calculated for AlCu mixtures using the Green-Kubo formulas at temperatures from 1000 to 4000 K and pressures from 0 to 25 GPa, along with additional points at higher temperatures and pressures. The diffusivities are corrected for finite-size effects.

Using alloying to promote the subtle rhombohedral phase transition in vanadium.

Recently it has been suggested theoretically and discovered experimentally that pressure can induce body-centered cubic vanadium to transition to a rhombohedral phase. Here we show using density functional theory calculations that alloying can affect the same transition, and in particular alloying can increase the stability of the rhombohedral phase, reducing the pressure needed to induce the transition. These calculations are full supercell calculations, as opposed to the virtual crystal approximation and other approximate schemes that neglect atomic relaxation and local bonding effects.

Time-dependent measure of a nanoscale force-pulse driven by the axonemal dynein motors in individual live sperm cells.

Nanoscale mechanical forces generated by motor proteins are crucial to normal cellular and organismal functioning. The ability to measure and exploit such forces is important to developing motile biomimetic nanodevices powered by biological motors for nanomedicine. Axonemal dynein motors positioned inside the sperm flagellum drive microtubule sliding and give rise to rhythmic beating.

Nonlinearly additive forces in multivalent ligand binding to a single protein revealed with force spectroscopy.

We present evidence of multivalent interactions between a single protein molecule and multiple carbohydrates at a pH where the protein can bind four ligands. The evidence is based not only on measurements of the force required to rupture the bonds formed between concanavalin A (ConA) and alpha-D-mannose but also on an analysis of the polymer-extension force curves to infer the polymer architecture that binds the protein to the cantilever and the ligands to the substrate. We find that although the rupture forces for multiple carbohydrate connections to a single protein are larger than the rupture force for a single connection, they do not scale additively with increasing number.

The AFM measured force required to rupture the dithiolate linkage of thioctic acid to gold is less than the rupture force of a simple gold-alkyl thiolate bond.

We show with atomic force microscopy that thioctic acid, a spatially constrained system with two sulfur linkages to gold, is less stable to tensile stress than a thiolate with a single attachment to gold. The force required to remove the dithiolate-linked thioctic acid was 0.31+/-0.

The structure of the cubic coincident site lattice rotation group.

This work is intended to be a mathematical underpinning for the field of grain-boundary engineering and its relatives. The inter-relationships within the set of rotations producing coincident site lattices in cubic crystals are examined in detail. Besides combining previously established but widely scattered results into a unified context, the present work details newly developed representations of the group structure in terms of strings of generators (based on quaternionic number theory, and including uniqueness proofs and rules for algebraic manipulation) as well as an easily visualized topological network model.

Force spectroscopy of the double-tethered concanavalin-A mannose bond.

We present the measurement of the force required to rupture a single protein-sugar bond using a methodology that provides selective discrimination between specific and nonspecific binding events and helps verify the presence of a single functional molecule on the atomic force microscopy tip. In particular, the interaction force between a polymer-tethered concanavalin-A protein (ConA) and a similarly tethered mannose carbohydrate was measured as 47 +/- 9 pN at a bond loading rate of approximately 10 nN/s. Computer simulations of the polymer molecular configurations were used to determine the angles that the polymers could sweep out during binding and, in conjunction with mass spectrometry, used to separate the angular effects from the effects due to a distribution of tether lengths.

Equilibrium model of bimodal distributions of epitaxial island growth.

We present a nanostructure diagram for use in designing heteroepitaxial systems of quantum dots. The nanostructure diagram is computed using a new equilibrium statistical physics model and predicts the island size and shape distributions for a range of combinations of growth temperature and amount of deposited material. The model is applied to Ge on Si(001), the archetype for bimodal island growth, and the results compare well with data from atomic force microscopy of Ge/Si islands grown by chemical vapor deposition.

Combining constitutive materials modeling with atomic force microscopy to understand the mechanical properties of living cells.

The goal of this work is to study the properties of living cells and cell membranes by using atomic force microscopy. During atomic force microscopy (AFM) measurement, there is a strong mechanical coupling between the AFM tip and the cell. The purpose of this paper is to present a model of the overall mechanical response of the cell that allows us to separate out the mechanical response of the cell from the local surface interactions we wish to quantify.