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

Recent progress in electronic skin or e-skin research is broadly reviewed, focusing on technologies needed in three main applications: skin-attachable electronics, robotics, and prosthetics. First, since e-skin will be exposed to prolonged stresses of various kinds and needs to be conformally adhered to irregularly shaped surfaces, materials with intrinsic stretchability and self-healing properties are of great importance. Second, tactile sensing capability such as the detection of pressure, strain, slip, force vector, and temperature are important for health monitoring in skin attachable devices, and to enable object manipulation and detection of surrounding environment for robotics and prosthetics. For skin attachable devices, chemical and electrophysiological sensing and wireless signal communication are of high significance to fully gauge the state of health of users and to ensure user comfort. For robotics and prosthetics, large-area integration on 3D surfaces in a facile and scalable manner is critical. Furthermore, new signal processing strategies using neuromorphic devices are needed to efficiently process tactile information in a parallel and low power manner. For prosthetics, neural interfacing electrodes are of high importance. These topics are discussed, focusing on progress, current challenges, and future prospects.

https://onlinelibrary.wiley.com/doi/pdf/10.1002/adma.201904765

Electronic Skin: Recent Progress and Future Prospects for Skin‐Attachable Devices for Health Monitoring, Robotics, and Prosthetics

We report a study of self-assembled beta-pleated sheets in B. mori silk fibroin films using thermal analysis and infrared spectroscopy. B. mori silk fibroin may stand as an exemplar of fibrous proteins containing crystalline beta-sheets. Materials were prepared from concentrated solutions (2−5 wt % fibroin in water) and then dried to achieve a less ordered state without beta-sheets. Crystallization of beta-pleated sheets was effected either by heating the films above the glass transition temperature (Tg) and holding isothermally or by exposure to methanol. The fractions of secondary structural components including random coils, alpha-helices, beta-pleated sheets, turns, and side chains were evaluated using Fourier self-deconvolution (FSD) of the infrared absorbance spectra. The silk fibroin films were studied thermally using temperature-modulated differential scanning calorimetry (TMDSC) to obtain the reversing heat capacity. The increment of the reversing heat capacity ΔCp0(Tg) at the glass transition fo...

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Determining Beta Sheet Crystallinity in Fibrous Proteins by Thermal Analysis and Infrared Spectroscopy

Flexible and wearable electronics are attracting wide attention due to their potential applications in wearable human health monitoring and care systems. Carbon materials have combined superiorities such as good electrical conductivity, intrinsic and structural flexibility, light weight, high chemical and thermal stability, ease of chemical functionalization, as well as potential mass production, enabling them to be promising candidate materials for flexible and wearable electronics. Consequently, great efforts are devoted to the controlled fabrication of carbon materials with rationally designed structures for applications in next-generation electronics. Herein, the latest advances in the rational design and controlled fabrication of carbon materials toward applications in flexible and wearable electronics are reviewed. Various carbon materials (carbon nanotubes, graphene, natural-biomaterial-derived carbon, etc.) with controlled micro/nanostructures and designed macroscopic morphologies for high-performance flexible electronics are introduced. The fabrication strategies, working mechanism, performance, and applications of carbon-based flexible devices are reviewed and discussed, including strain/pressure sensors, temperature/humidity sensors, electrochemical sensors, flexible conductive electrodes/wires, and flexible power devices. Furthermore, the integration of multiple devices toward multifunctional wearable systems is briefly reviewed. Finally, the existing challenges and future opportunities in this field are summarized.

Advanced Carbon for Flexible and Wearable Electronics.

Wearable or attachable health monitoring smart systems are considered to be the next generation of personal portable devices for remote medicine practices. Smart flexible sensing electronics are components crucial in endowing health monitoring systems with the capability of real-time tracking of physiological signals. These signals are closely associated with body conditions, such as heart rate, wrist pulse, body temperature, blood/intraocular pressure and blood/sweat bio-information. Monitoring such physiological signals provides a convenient and non-invasive way for disease diagnoses and health assessments. This Review summarizes the recent progress of flexible sensing electronics for their use in wearable/attachable health monitoring systems. Meanwhile, we present an overview of different materials and configurations for flexible sensors, including piezo-resistive, piezo-electrical, capacitive, and field effect transistor based devices, and analyze the working principles in monitoring physiological signals. In addition, the future perspectives of wearable healthcare systems and the technical demands on their commercialization are briefly discussed.

Flexible Sensing Electronics for Wearable/Attachable Health Monitoring

A carbonized plain-weave silk fabric is fabricated into wearable and robust strain sensors, which can be stretched up to 500% and show high sensitivity in a wide strain range. This sensor can be assembled into wearable devices for detection of both large and subtle human activities, showing great potential for monitoring human motions and personal health.

Carbonized Silk Fabric for Ultrastretchable, Highly Sensitive, and Wearable Strain Sensors

The rational design of high-performance flexible pressure sensors attracts attention because of the potential applications in wearable electronics and human–machine interfacing. For practical applications, pressure sensors with high sensitivity and low detection limit are desired. Here, ta simple process to fabricate high-performance pressure sensors based on biomimetic hierarchical structures and highly conductive active membranes is presented. Aligned carbon nanotubes/graphene (ACNT/G) is used as the active material and microstructured polydimethylsiloxane (m-PDMS) molded from natural leaves is used as the flexible matrix. The highly conductive ACNT/G films with unique coalescent structures, which are directly grown using chemical vapor deposition, can be conformably coated on the m-PDMS films with hierarchical protuberances. Flexible ACNT/G pressure sensors are then constructed by putting two ACNT/G/PDMS films face to face with the orientation of the ACNTs in the two films perpendicular to each other. Due to the unique hierarchical structures of both the ACNT/G and m-PDMS films, the obtained pressure sensors demonstrate high sensitivity (19.8 kPa−1, <0.3 kPa), low detection limit (0.6 Pa), fast response time (<16.7 ms), low operating voltage (0.03 V), and excellent stability for more than 35 000 loading–unloading cycles, thus promising potential applications in wearable electronics.

Flexible and Highly Sensitive Pressure Sensors Based on Bionic Hierarchical Structures

Recent years have witnessed the explosive development of electronic skin. Highly sensitive pressure sensing is one of the primary abilities of electronic skin. To date, most of the reported skin-like pressure sensors are based on nanomaterials and microstructured polydimethylsiloxane (PDMS) films, limiting their wide practical applications due to the unknown biotoxicity and the redundant fabrication procedure. A cost-effective, large-area-capable, and biocompatible approach for fabrication of high-performance skin-like pressure sensors is highly desired. Silk fibroin (SF) is a natural protein that has recently drawn great attention due to its application as the substrate for flexible electronics. Here, the fabrication of skin-like pressure sensors is demonstrated using SF-derived active materials. Flexible and conformal pressure sensors can be fabricated using transparent carbonized silk nanofiber membranes (CSilkNM) and unstructured PDMS films through a cost-effective and large-scale capable approach. Due to the unique N-doped carbon nanofiber network structure of CSilkNM, the obtained pressure sensor shows superior performance, including ultrahigh sensitivity (34.47 kPa−1) for a broad pressure range, an ultralow detection limit (0.8 Pa), rapid response time ( 10 000 cycles). Based on its superior performance, its applications in monitoring human physiological signals, sensing subtle touch, and detecting spatial distribution of pressure are demonstrated.

Carbonized Silk Nanofiber Membrane for Transparent and Sensitive Electronic Skin

The unique structure of a vertically aligned carbon nanotube (VACNT) array makes it behave most similarly to a blackbody. It is reported that the optical absorptivity of an extremely black VACNT array is about 0.98–0.99 over a large spectral range of 200 nm–200 μm, inspiring us to explore the performance of VACNT arrays in solar energy harvesting. In this work, we report the highly efficient steam generation simply by laminating a layer of VACNT array on the surface of water to harvest solar energy. It is found that under solar illumination the temperature of upper water can significantly increase with obvious water steam generated, indicating the efficient solar energy harvesting and local temperature rise by the thin layer of VACNTs. We found that the evaporation rate of water assisted by VACNT arrays is 10 times that of bare water, which is the highest ratio for solar-thermal-steam generation ever reported. Remarkably, the solar thermal conversion efficiency reached 90%. The excellent performance could...

Extremely Black Vertically-Aligned Carbon Nanotube Arrays for Solar Steam Generation

Electronic tattoos (E-tattoos), which can be intimately mounted on human skin for noninvasive and high-fidelity sensing, have attracted the attention of researchers in the field of wearable electronics. However, fabricating E-tattoos that are capable of self-healing and sensing multistimuli, similar to the inherent attributes of human skin, is still challenging. Herein, a healable and multifunctional E-tattoo based on a graphene/silk fibroin/Ca2+ (Gr/SF/Ca2+) combination is reported. The highly flexible E-tattoos are prepared through printing or writing using Gr/SF/Ca2+ suspension. The graphene flakes distributed in the matrix form an electrically conductive path that is responsive to environmental changes, such as strain, humidity, and temperature variations, endowing the E-tattoo with high sensitivity to multistimuli. The performance of the E-tattoo is investigated as a strain, humidity, and temperature sensor that shows high sensitivity, a fast response, and long-term stability. The E-tattoo is remarkably healed after damage by water because of the reformation of hydrogen and coordination bonds at the fractured interface. The healing efficiency is 100% in only 0.3 s. Finally, as proof of concept, its applications for monitoring of electrocardiograms, breathing, and temperature are shown. Based on its unique properties and superior performance, the Gr/SF/Ca2+ E-tattoo may be a promising candidate material for epidermal electronics.

Qi Wang

Papers

Carbonized Silk Fabric for Ultrastretchable, Highly Sensitive, and Wearable Strain Sensors

Flexible and Highly Sensitive Pressure Sensors Based on Bionic Hierarchical Structures

Carbonized Silk Nanofiber Membrane for Transparent and Sensitive Electronic Skin

Extremely Black Vertically-Aligned Carbon Nanotube Arrays for Solar Steam Generation

Self-Healable Multifunctional Electronic Tattoos Based on Silk and Graphene