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’

In this critical review, metal oxides-based materials for electrochemical supercapacitor (ES) electrodes are reviewed in detail together with a brief review of carbon materials and conducting polymers. Their advantages, disadvantages, and performance in ES electrodes are discussed through extensive analysis of the literature, and new trends in material development are also reviewed. Two important future research directions are indicated and summarized, based on results published in the literature: the development of composite and nanostructured ES materials to overcome the major challenge posed by the low energy density of ES (476 references).

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A review of electrode materials for electrochemical supercapacitors

Semiconductor photocatalysts have important applications in renewable energy and environment fields. To overcome the serious drawbacks of low efficiency and narrow light-response range in most stable semiconductor photocatalysts, many strategies have been developed in the past decades. This review attempts to provide a comprehensive update and examination of some fundamental issues in titania (TiO2)-based semiconductor photocatalysts, such as crystal growth, doping and heterostructuring. We focus especially on recent progress in exploring new strategies to design TiO2-based photocatalysts with unique structures and properties, elucidating the chemical states and distribution of dopants in doped TiO2, designing and fabricating integrated heterostructure photocatalysts with different charge-carrier transfer pathways, and finally identifying the key factors in determining the photocatalytic efficiency of titania-based photocatalysts.

Titania-based photocatalysts—crystal growth, doping and heterostructuring

The increasing demand of clinical biomedicine and fast development of nanobiotechnology has substantially promoted the generation of a variety of organic/inorganic nanosystems for biomedical applications. Biocompatible two-dimensional (2D) graphene analogues (e.g., nanosheets of transition metal dichalcogenides, transition metal oxides, g-C3N4, Bi2Se3, BN, etc.), which are referred to as 2D-GAs, have emerged as a new unique family of nanomaterials that show unprecedented advantages and superior performances in biomedicine due to their unique compositional, structural and physicochemical features. In this review, we summarize the state-of-the-art progress of this dynamically developed material family with a particular focus on biomedical applications. After the introduction, the second section of the article summarizes a range of synthetic methods for new types of 2D-GAs as well as their surface functionalization. The subsequent section provides a snapshot on the use of these biocompatible 2D-GAs for a broad spectrum of biomedical applications, including therapeutic (photothermal/photodynamic therapy, chemotherapy and synergistic therapy), diagnostic (fluorescent/magnetic resonance/computed tomography/photoacoustic imaging) and theranostic (concurrent diagnostic imaging and therapy) applications, especially on oncology. In addition, we briefly present the biosensing applications of these 2D-GAs for the detection of biomacromolecules and their in vitro/in vivo biosafety evaluations. The last section summarizes some critical unresolved issues, possible challenges/obstacles and also proposes future perspectives related to the rational design and construction of 2D-GAs for biomedical engineering, which are believed to promote their clinical translations for benefiting the personalized medicine and human health.

Two-dimensional graphene analogues for biomedical applications.

This paper reports on the swelling and exfoliation behavior of a layered protonic manganese oxide, H(0.13)MnO(2).0.7H(2)O, in a solution of tetrabutylammonium (TBA) hydroxide and the formation and characterizations of unilamellar two-dimensional crystallites of MnO(2). At low doses of TBA ions, layered manganese oxide was observed to undergo normal intercalation, yielding a TBA intercalated phase with a gallery height of 1.25 nm. With a large excess of TBA ions, osmotic swelling occurred, giving rise to a very large intersheet separation of 3.5-7 nm. In an intermediate TBA concentration range, the sample exhibited a broad X-ray diffraction profile with superimposed diffraction features due to intercalation and osmotic swelling. The component responsible for the broad profile was isolated by centrifuging the mixture twice at different speeds, and the recovered colloid was identified as a pile of MnO(2) nanosheets, corresponding to the individual host layer of the precursor layered manganese oxide. Observations by transmission electron microscopy and atomic force microscopy revealed high two-dimensional anisotropy with a lateral dimension of submicrometers and a thickness of approximately 0.8 nm. The nanosheet exhibited broad optical absorption with a peak at 374 nm (epsilon = 1.13 x 10(4) mol(-1) dm(3) cm(-1)). The restacking process of the colloidal MnO(2) nanosheets was followed by aging the colloid at a relative humidity of 95%. The broad diffraction pattern due to the exfoliated sheets weakened with time and eventually resolved into two sharp distinct profiles attributable to a TBA intercalation compound with an intersheet spacing of 1.72 nm and an osmotically swollen hydrate with >10 nm at a very early stage. As drying progressed, the former phase became more abundant without a change in interlayer distance, while the degree of swelling of the latter phase gradually decreased to 2.7 nm that remained unchanged on further aging. Subsequent drying at a lower humidity collapsed the 2.7 nm phase. The resulting single 1.72 nm phase was dehydrated by heating at 150 degrees C to produce a phase with a contracted interlayer spacing of 1.3 nm.

Redoxable nanosheet crystallites of MnO2 derived via delamination of a layered manganese oxide.

Two-dimensional (2D) materials have attracted increasing attention for photocatalytic applications because of their unique thickness dependent physical and chemical properties. This review gives a brief overview of the recent developments concerning the chemical synthesis and structural design of 2D materials at the nanoscale and their applications in photocatalytic areas. In particular, recent progress on the emerging strategies for tailoring 2D material-based photocatalysts to improve their photo-activity including elemental doping, heterostructure design and functional architecture assembly is discussed.

Lianzhou Wang

Papers

Titania-based photocatalysts—crystal growth, doping and heterostructuring

Two-dimensional graphene analogues for biomedical applications.

Redoxable nanosheet crystallites of MnO2 derived via delamination of a layered manganese oxide.

Recent advances in 2D materials for photocatalysis

Titanium Oxide Nanosheets: Graphene Analogues with Versatile Functionalities