Publications
Computational study of the interaction of freely moving particles at intermediate Reynolds numbers
Motivated by our interest in understanding collective behaviour and self-organization resulting from hydrodynamic interactions, we investigate the two-dimensional dynamics of horizontal arrays of settling cylinders at intermediate Reynolds numbers. To simulate these dynamics, we develop a direct numerical simulation based on the immersed interface method. A novel aspect of our method is its ability to efficiently and accurately couple the dynamics of the freely moving objects with the fluid.
Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge
This work explores the use of joint density functional theory, an extension of density functional theory for the ab initio description of electronic systems in thermodynamic equilibrium with a liquid environment, to describe electrochemical systems. After reviewing the physics of the underlying fundamental electrochemical concepts, we identify the mapping between commonly measured electrochemical observables and microscopically computable quantities within an, in principle, exact theoretical framework.
Gate-tuned superfluid density at the superconducting LaAlO 3/SrTiO 3 interface
The interface between the insulating oxides LaAlO 3 and SrTiO 3 exhibits a superconducting two-dimensional electron system that can be modulated by a gate voltage. While the conductivity has been probed extensively and gating of the superconducting critical temperature has been demonstrated, the question as to whether, and if so how, the gate tunes the superfluid density and superconducting order parameter needs to be answered. We present local magnetic susceptibility, related to the superfluid density, as a function of temperature, gate voltage, and location.
Control of valley polarization in monolayer MoS2 by optical helicity
Electronic and spintronic devices rely on the fact that free charge carriers in solids carry electric charge and spin. There are, however, other properties of charge carriers that might be exploited in new families of devices. In particular, if there are two or more minima in the conduction band (or maxima in the valence band) in momentum space, and if it is possible to confine charge carriers in one of these valleys, then it should be possible to make a valleytronic device.
High-contrast imaging of graphene via time-domain terahertz spectroscopy
We demonstrate terahertz (THz) imaging and spectroscopy of single-layer graphene deposited on an intrinsic Si substrate using THz time-domain spectroscopy. A singlecycle THz pulse undergoes multiple internal reflections within the Si substrate, and the THz absorption by the graphene layer accumulates through the multiple interactions with the graphene/Si interface.We exploit the large absorption of the multiply reflected THz pulses to acquire high-contrast THz images of graphene.
Interpreting torsional oscillator measurements: Effect of shear modulus and supersolidity
The torsional oscillator is the chief instrument for investigating supersolidity in solid 4He. These oscillators can be sensitive to the elastic properties of the solid helium, which show anomalies over the same range of temperature in which the supersolid phenomenon appears. In this report we present a detailed study of the influence of the elastic properties of the solid on the periods of torsional oscillators for the various designs that have been commonly employed in supersolid measurements.
Optical spectroscopy of graphene: From the far infrared to the ultraviolet
The unique electronic structure of graphene leads to several distinctive optical properties. In this brief review, we outline the current understanding of two general aspects of optical response of graphene: optical absorption and light emission. We show that optical absorption in graphene is dominated by intraband transitions at low photon energies (in the far-infrared spectral range) and by interband transitions at higher energies (from mid-infrared to ultraviolet). We discuss how the intraband and interband transitions in graphene can be modified through electrostatic gating.
A computationally efficacious free-energy functional for studies of inhomogeneous liquid water.
We present an accurate equation of state for water based on a simple microscopic Hamiltonian, with only four parameters that are well-constrained by bulk experimental data. With one additional parameter for the range of interaction, this model yields a computationally efficient free-energy functional for inhomogeneous water, which captures short-ranged correlations, cavitation energies, and, with suitable long-range corrections, the nonlinear dielectric response of water, making it an excellent candidate for the studies of mesoscale water and for use in ab initio solvation methods.
High-Resolution Protein Structure Determination by Serial Femtosecond Crystallography
Structure determination of proteins and other macromolecules has historically required the growth of high-quality crystals sufficiently large to diffract x-rays efficiently while withstanding radiation damage. We applied serial femtosecond crystallography (SFX) using an x-ray free-electron laser (XFEL) to obtain high-resolution structural information from microcrystals (less than 1 micrometer by 1 micrometer by 3 micrometers) of the well-characterized model protein lysozyme.
Adaptive temperature compensation in circadian oscillations
A temperature independent period and temperature entrainment are two defining features of circadian oscillators. A default model of distributed temperature compensation satisfies these basic facts yet is not easily reconciled with other properties of circadian clocks, such as many mutants with altered but temperature compensated periods. The default model also suggests that the shape of the circadian limit cycle and the associated phase response curves (PRC) will vary since the average concentrations of clock proteins change with temperature.