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

抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

Raman spectroscopy of graphene and graphite: Disorder, electron phonon coupling, doping and nonadiabatic effects

Atomic layer deposition: an overview.

A common feature of the single-walled carbon-nanotube field-effect transistors fabricated to date has been the presence of a Schottky barrier at the nanotube–metal junctions1,2,3. These energy barriers severely limit transistor conductance in the ‘ON’ state, and reduce the current delivery capability—a key determinant of device performance. Here we show that contacting semiconducting single-walled nanotubes by palladium, a noble metal with high work function and good wetting interactions with nanotubes, greatly reduces or eliminates the barriers for transport through the valence band of nanotubes. In situ modification of the electrode work function by hydrogen is carried out to shed light on the nature of the contacts. With Pd contacts, the ‘ON’ states of semiconducting nanotubes can behave like ohmically contacted ballistic metallic tubes, exhibiting room-temperature conductance near the ballistic transport limit of 4e2/h (refs 4–6), high current-carrying capability (∼25 µA per tube), and Fabry–Perot interferences5 at low temperatures. Under high voltage operation, the current saturation appears to be set by backscattering of the charge carriers by optical phonons. High-performance ballistic nanotube field-effect transistors with zero or slightly negative Schottky barriers are thus realized.

Ballistic carbon nanotube field-effect transistors

Fundamentals of Carrier Transport is an accessible introduction to the behaviour of charged carriers in semiconductors and semiconductor devices. It is written specifically for engineers and students without an extensive background in quantum mechanics and solid-state physics. This second edition contains many new and updated sections, including a completely new chapter on transport in ultrasmall devices. The author begins by covering a range of essential physical principles. He then goes on to cover both low- and high-field transport, scattering, transport in devices, and transport in mesoscopic systems. The use of Monte Carlo simulation methods is explained in detail. Many homework exercises are provided and there are a variety of worked examples. The book will be of great interest to graduate students of electrical engineering and applied physics. It will also be invaluable to practising engineers working on semiconductor device research and development.

Fundamentals of carrier transport

The integration of materials having a high dielectric constant (high-kappa) into carbon-nanotube transistors promises to push the performance limit for molecular electronics. Here, high-kappa (approximately 25) zirconium oxide thin-films (approximately 8 nm) are formed on top of individual single-walled carbon nanotubes by atomic-layer deposition and used as gate dielectrics for nanotube field-effect transistors. The p-type transistors exhibit subthreshold swings of S approximately 70 mV per decade, approaching the room-temperature theoretical limit for field-effect transistors. Key transistor performance parameters, transconductance and carrier mobility reach 6,000 S x m(-1) (12 microS per tube) and 3,000 cm2 x V(-1) x s(-1) respectively. N-type field-effect transistors obtained by annealing the devices in hydrogen exhibit S approximately 90 mV per decade. High voltage gains of up to 60 are obtained for complementary nanotube-based inverters. The atomic-layer deposition process affords gate insulators with high capacitance while being chemically benign to nanotubes, a key to the integration of advanced dielectrics into molecular electronics.

http://nano.eecs.berkeley.edu/publications/Javey_NatMat_2004.pdf

High-κ dielectrics for advanced carbon- nanotube transistors and logic gates

Numerical simulations are used to guide the development of a simple analytical theory for ballistic field-effect transistors. When two-dimensional (2-D) electrostatic effects are small (and when the insulator capacitance is much less than the semiconductor (quantum) capacitance), the model reduces to Natori's theory of the ballistic MOSFET. The model also treats 2-D electrostatics and the quantum capacitance limit where the semiconductor quantum capacitance is much less than the insulator capacitance. This new model provides insights into the performance of MOSFETs near the scaling limit and a unified framework for assessing and comparing a variety of novel transistors.

/pdf/theory-of-ballistic-nanotransistors-3pzqc5br33.pdf

Theory of ballistic nanotransistors

Although carbon nanotube (CNT) transistors have been promoted for years as a replacement for silicon technology, there is limited theoretical work and no experimental reports on how nanotubes will perform at sub-10 nm channel lengths. In this manuscript, we demonstrate the first sub-10 nm CNT transistor, which is shown to outperform the best competing silicon devices with more than four times the diameter-normalized current density (2.41 mA/μm) at a low operating voltage of 0.5 V. The nanotube transistor exhibits an impressively small inverse subthreshold slope of 94 mV/decade-nearly half of the value expected from a previous theoretical study. Numerical simulations show the critical role of the metal-CNT contacts in determining the performance of sub-10 nm channel length transistors, signifying the need for more accurate theoretical modeling of transport between the metal and nanotube. The superior low-voltage performance of the sub-10 nm CNT transistor proves the viability of nanotubes for consideration in future aggressively scaled transistor technologies.

Mark Lundstrom

Papers

Ballistic carbon nanotube field-effect transistors

Fundamentals of carrier transport

High-κ dielectrics for advanced carbon- nanotube transistors and logic gates

Theory of ballistic nanotransistors

Sub-10 nm carbon nanotube transistor.