Structural Distortions in 5-10 Nm Silver Nanoparticles Under High Pressure

We present experimental evidence that silver nanoparticles in the size range of 5-10 nm undergo a reversible structural transformation under hydrostatic pressures up to 10 GPa. We have used x-ray diffraction with a synchrotron light source to investigate pressure-dependent and size-dependent trends in the crystal structure of silver nanoparticles in a hydrostatic medium compressed in a diamond-anvil cell. Results suggest a reversible linear pressure-dependent rhombohedral distortion which has not been previously observed in bulk silver. We propose a mechanism for this transition that considers the bond-length distribution in idealized multiply twinned icosahedral particles. To further support this hypothesis, we also show that similar measurements of single-crystal platinum nanoparticles reveal no such distortions

Factors That Affect Large Subunit Ribosomal DNA Amplicon Sequencing Studies of Fungal Communities: Classification Method, Primer Choice, and Error

Nuclear large subunit ribosomal DNA is widely used in fungal phylogenetics and to an increasing extent also amplicon-based environmental sequencing. The relatively short reads produced by next-generation sequencing, however, makes primer choice and sequence error important variables for obtaining accurate taxonomic classifications. In this simulation study we tested the performance of three classification methods: 1) a similarity-based method (BLAST + Metagenomic Analyzer, MEGAN); 2) a composition-based method (Ribosomal Database Project naïve Bayesian classifier, NBC); and, 3) a phylogeny-based method (Statistical Assignment Package, SAP). We also tested the effects of sequence length, primer choice, and sequence error on classification accuracy and perceived community composition. Using a leave-one-out cross validation approach, results for classifications to the genus rank were as follows: BLAST + MEGAN had the lowest error rate and was particularly robust to sequence error; SAP accuracy was highest when long LSU query sequences were classified; and, NBC runs significantly faster than the other tested methods. All methods performed poorly with the shortest 50–100 bp sequences. Increasing simulated sequence error reduced classification accuracy. Community shifts were detected due to sequence error and primer selection even though there was no change in the underlying community composition. Short read datasets from individual primers, as well as pooled datasets, appear to only approximate the true community composition. We hope this work informs investigators of some of the factors that affect the quality and interpretation of their environmental gene surveys

RFTouchPads: batteryless and wireless modular touch sensor pads based on RFID

This paper presents RFTouchPads, a system of batteryless and wireless modular hardware designs of two-dimensional (2D) touch sensor pads based on the ultra-high frequency (UHF) radio-frequency identification (RFID) technology. In this system, multiple RFID IC chips are connected to an antenna in parallel. Each chip connects only one of its endpoints to the antenna; hence, the module normally turns off when it gets insufficient energy to operate. When a finger touches the circuit trace attached to another endpoint of the chip, the finger functions as part of the antenna that turns the connected chip on, while the finger touch location is determined according to the chip's ID. Based on this principle, we propose two hardware designs, namely, StickerPad and TilePad. StickerPad is a flexible 3×3 touch-sensing pad suitable for applications on curved surfaces such as the human body. TilePad is a modular 3×3 touch-sensing pad that supports the modular area expansion by tiling and provides a more flexible deployment because its antenna is folded. Our implementation allows 2D touch inputs to be reliability detected 2 m away from a remote antenna of an RFID reader. The proposed batteryless, wireless, and modular hardware design enables fine-grained and less-constrained 2D touch inputs in various ubiquitous computing applications

RFTouchPads:batteryless and wireless modular touch sensor pads based on RFID

This paper presents RFTouchPads, a system of batteryless and wireless modular hardware designs of two-dimensional (2D) touch sensor pads based on the ultra-high frequency (UHF) radio-frequency identification (RFID) technology. In this system, multiple RFID IC chips are connected to an antenna in parallel. Each chip connects only one of its endpoints to the antenna; hence, the module normally turns off when it gets insufficient energy to operate. When a finger touches the circuit trace attached to another endpoint of the chip, the finger functions as part of the antenna that turns the connected chip on, while the finger touch location is determined according to the chip's ID. Based on this principle, we propose two hardware designs, namely, StickerPad and TilePad. StickerPad is a flexible 3×3 touch-sensing pad suitable for applications on curved surfaces such as the human body. TilePad is a modular 3×3 touch-sensing pad that supports the modular area expansion by tiling and provides a more flexible deployment because its antenna is folded. Our implementation allows 2D touch inputs to be reliability detected 2 m away from a remote antenna of an RFID reader. The proposed batteryless, wireless, and modular hardware design enables fine-grained and less-constrained 2D touch inputs in various ubiquitous computing applications

Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields

Reactive force fields provide an affordable model for simulating chemical reactions at a fraction of the cost of quantum mechanical approaches. However, classically accounting for chemical reactivity often comes at the expense of accuracy and transferability, while computational cost is still large relative to nonreactive force fields. In this Perspective, we summarize recent efforts for improving the performance of reactive force fields in these three areas with a focus on the ReaxFF theoretical model. To improve accuracy, we describe recent reformulations of charge equilibration schemes to overcome unphysical long-range charge transfer, new ReaxFF models that account for explicit electrons, and corrections for energy conservation issues of the ReaxFF model. To enhance transferability we also highlight new advances to include explicit treatment of electrons in the ReaxFF and hybrid nonreactive/reactive simulations that make it possible to model charge transfer, redox chemistry, and large systems such as reverse micelles within the framework of a reactive force field. To address the computational cost, we review recent work in extended Lagrangian schemes and matrix preconditioners for accelerating the charge equilibration method component of ReaxFF and improvements in its software performance in LAMMPS

Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields.

Reactive force fields provide an affordable model for simulating chemical reactions at a fraction of the cost of quantum mechanical approaches. However, classically accounting for chemical reactivity often comes at the expense of accuracy and transferability, while computational cost is still large relative to nonreactive force fields. In this Perspective, we summarize recent efforts for improving the performance of reactive force fields in these three areas with a focus on the ReaxFF theoretical model. To improve accuracy, we describe recent reformulations of charge equilibration schemes to overcome unphysical long-range charge transfer, new ReaxFF models that account for explicit electrons, and corrections for energy conservation issues of the ReaxFF model. To enhance transferability we also highlight new advances to include explicit treatment of electrons in the ReaxFF and hybrid nonreactive/reactive simulations that make it possible to model charge transfer, redox chemistry, and large systems such as reverse micelles within the framework of a reactive force field. To address the computational cost, we review recent work in extended Lagrangian schemes and matrix preconditioners for accelerating the charge equilibration method component of ReaxFF and improvements in its software performance in LAMMPS