There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

[신간의 별자리x] 우리/미술, 그리고 ‘슬픔의 박물관’

Graphene has been attracting great interest because of its distinctive band structure and physical properties. Today, graphene is limited to small sizes because it is produced mostly by exfoliating graphite. We grew large-area graphene films of the order of centimeters on copper substrates by chemical vapor deposition using methane. The films are predominantly single-layer graphene, with a small percentage (less than 5%) of the area having few layers, and are continuous across copper surface steps and grain boundaries. The low solubility of carbon in copper appears to help make this growth process self-limiting. We also developed graphene film transfer processes to arbitrary substrates, and dual-gated field-effect transistors fabricated on silicon/silicon dioxide substrates showed electron mobilities as high as 4050 square centimeters per volt per second at room temperature.

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Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils

Interfaces between two topological insulators are of fundamental interest in condensed matter physics. Inspired by experimental efforts, we study interfacial processes between two slabs of BiSbTeSe 2 (BSTS) via first principles calculations. Topological surface states are absent for the BSTS interface in its equilibrium separation, but our calculations show that they appear if the inter-slab distance is greater than 6 A. More importantly, we find that topological interface states can be preserved by inserting two or more layers of hexagonal boron nitride between the two BSTS slabs. In experiments, the electric current tunneling through the interface is insensitive to back gate voltage when the bias voltage is small. Using a first-principles based method that allows us to simulate the gate field, we show that at low bias, the extra charge induced by a gate voltage resides on the surface that is closest to the gate electrode, leaving the interface almost undoped. This provides clues to understand the origin of the observed insensitivity of transport properties to back voltage at low bias. Our study resolves a few questions raised in experiment, which does not yet offer a clear correlation between microscopic physics and transport data. We provide a road map for the design of vertical tunneling junctions involving the interface between two topological insulators.

Gate field effects on the topological insulator BiSbTeSe2 interface

Observation of Coulomb repulsion between Cu intercalants in Cu x Bi2Se 3

Vertical arrays of high aspect ratio (>100) InSb nanowires with diameters of ~20 nm have been fabricated using a Porous Anodic Alumina (PAA) template that is supported on a Si substrate with a thin layer of titanium (Ti) sandwiched between them. The process described here uses a reverse anodization technique to penetrate the hemispherical pore bottom barrier oxide layer prior to the electrodeposition process, so as to form a direct electrical contact with the underlying Ti layer. Scanning electron microscopy results demonstrate that the InSb nanowires completely fill the channels of the PAA thereby acquiring a wire diameter of about 20 nm. Raman spectrum of the InSb nanowires indicates high crystal quality.

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Electrodeposition of Indium Antimonide Nanowires in Porous Anodic Alumina Membranes

Using classical molecular dynamics simulation, we have studied the effect of edge-passivation by hydrogen (H-passivation) and isotope mixture (with random or supperlattice distributions) on the thermal conductivity of rectangular graphene nanoribbons (GNRs) (of several nanometers in size). We found that the thermal conductivity is considerably reduced by the edge H-passivation. We also find that the isotope mixing can reduce the thermal conductivities, with the supperlattice distribution giving rise to more reduction than the random distribution. These results can be useful in nanoscale engineering of thermal transport and heat management using GNRs.

/pdf/tuning-the-thermal-conductivity-of-graphene-nanoribbons-by-3aarfy8zid.pdf

Tuning the thermal conductivity of graphene nanoribbons by edge passivation and isotope engineering: a molecular dynamics study

We have developed an experimental method to modify the single-particle dispersion using periodic modulation of Raman beams which couple two spin-states of an ultracold atomic gas. The modulation introduces a new coupling between Raman-induced spin-orbit-coupled dressed bands, creating a second generation of dressed-state eigenlevels that feature both a novel 3{\pi} spin-orbit coupling and a pair of avoided crossings, which is used to realize an atomic interferometer. The spin polarization and energies of these eigenlevels are characterized by studying the transport of a Bose-Einstein condensate in this system, including observing a Stueckelberg interference.

Yong P. Chen

Papers

Gate field effects on the topological insulator BiSbTeSe2 interface

Observation of Coulomb repulsion between Cu intercalants in Cu x Bi2Se 3

Electrodeposition of Indium Antimonide Nanowires in Porous Anodic Alumina Membranes

Tuning the thermal conductivity of graphene nanoribbons by edge passivation and isotope engineering: a molecular dynamics study

Engineering an atom-interferometer with modulated light-induced $3 \pi$ spin-orbit coupling