Symmetric Molecular Dynamics

We derive a formulation of molecular dynamics that generates only symmetric configurations. We implement it for all 2D planar and 3D space groups. An atlas of 2D Lennard-Jones crystals under all planar groups is created with symmetric molecular dynamics

A Schwartz Round for Clinical Librarians – a case study

The authors, based on their involvement in supporting Schwartz Rounds at their hospital, presented and facilitateda Schwartz Round at the 9th International Clinical Librarians Conference in 2017. The paper discusses thepreparations for the Schwartz Round, and the logistical and emotional issues encountered beforehand and onthe day. They plan to hold future Schwartz Rounds on a regional basis

Do Three Different Passive Assessments of Quadriceps Spasticity Relate to the Functional Activity of Walking for Children Diagnosed with Cerebral Palsy?

A stiff-knee gait pattern is frequently associated with several impairments including quadriceps spasticity in children diagnosed with cerebral palsy (CP). The relationship of clinical measures of quadriceps spasticity and the stiff-knee gait pattern in children diagnosed with CP has not been well established. Therefore, the purpose of this study was to determine the ability of clinical measures of quadriceps spasticity (modified Ashworth scale [MAS], Ely tests, and pendulum test) to categorize a stiff-knee gait pattern in children with CP. Children were categorized as having a stiff-knee gait pattern based on kinematic and EMG gait data. Results of a logistic regression model revealed that the only significant measure was A1 of the pendulum test. Discriminant analysis functions were used to predict group membership (stiff-knee, not stiff-knee gait pattern) for each measure. The A1 of the pendulum test demonstrated the highest classification accuracy and the highest sensitivity compared to the other measures. Therefore, a negative pendulum test (indicated by an A1 value of 45 degrees or more) is more useful for ruling out a stiff-knee gait pattern compared to the other clinical measures

A Study on Encodings for Neural Architecture Search

Neural architecture search (NAS) has been extensively studied in the past few years. A popular approach is to represent each neural architecture in the search space as a directed acyclic graph (DAG), and then search over all DAGs by encoding the adjacency matrix and list of operations as a set of hyperparameters. Recent work has demonstrated that even small changes to the way each architecture is encoded can have a significant effect on the performance of NAS algorithms. In this work, we present the first formal study on the effect of architecture encodings for NAS, including a theoretical grounding and an empirical study. First we formally define architecture encodings and give a theoretical characterization on the scalability of the encodings we study Then we identify the main encoding-dependent subroutines which NAS algorithms employ, running experiments to show which encodings work best with each subroutine for many popular algorithms. The experiments act as an ablation study for prior work, disentangling the algorithmic and encoding-based contributions, as well as a guideline for future work. Our results demonstrate that NAS encodings are an important design decision which can have a significant impact on overall performance. Our code is available at https://github.com/naszilla/nas-encodings

Pneumatic Haptic Interfaces

An instrumentation system for direct measurement of the thermal conductivity of a small sample of a highly insulating material has been devised. As used here, (1) "small" signifies having dimensions of the order of two centimeters - significantly less than the sizes of specimens for which prior devices for direct measurement of thermal conductivity have been designed; and (2) "highly insulating" signifies having thermal conductivity of the order of that of air. The heart of the system is an assembly that includes two copper disks - one electrically heated, the other cooled with chilled water. The disks are separated by a guard ring made of strong, thermally insulating polymethacrylamide foam. The sample fits between the copper disks and within the ring (see figure). Matched thermocouples are used to measure the temperatures of the heated and cooled disks. The heated and cooled disks are affixed to larger foam disks, and the essentially still air in the gap between the larger disks insulates the sides of the specimen. This air gap region can be further divided by extending the foam ring into the gap region. The entire assembly as described thus far is lightly clamped together by means of nylon threaded rods and is placed inside a cylindrical chamber wherein the temperature is maintained at a set value (typically, 25 C)

"What sporting factors have an impact on the mood of male professional athletes?"

Introduction: Recent research has indicated that professional athletes have a comparable or elevated prevalence of mental health difficulties in comparison to the general population. Despite this, there is a paucity of high-quality research within the area with the majority of studies being of a cross-sectional nature focussing on prevalence rates. Whilst there is a growing evidence base, there is limited knowledge regarding the specific sporting factors that may have an impact on the mood of male professional athletes and the processes by which these difficulties are caused. Method: A qualitative methodology was adopted in which 9 professional athletes were interviewed using a semi-structured interview format. The data were analysed using thematic analysis. Results: Four themes were developed from the participants’ experiences of the sporting environment and the factors that had an impact on their mood. The super-ordinate themes were: ‘Sport is everything’, ‘Uncertainty about selection’, ‘Loss’, and ‘Masculinity’. A further eleven sub-themes were also outlined. The super-ordinate theme of ‘Uncertainty about selection’ covers the specific factors related to the sporting environment that may have an impact on the participants’ mood such as injury, performance and coaching relationships. The super-ordinate theme of ‘Loss’ explores the underlying reasons that these sporting factors may cause an impact on mood, such as a loss of identity, loss of emotional reward and social life, and loss of financial incentives. In addition, the super-ordinate theme of ‘Masculinity’ outlines the way that the participants express and manage this impact on mood. Discussion: The results from this study are related to the wider research and clinical literature, including role identity theory and the masculinity literature. The strengths and limitations of this study, clinical implications and directions for future research are discussed

Miniature Scroll Pumps Fabricated by LIGA

Miniature scroll pumps have been proposed as roughing pumps (low - vacuum pumps) for miniature scientific instruments (e.g., portable mass spectrometers and gas analyzers) that depend on vacuum. The larger scroll pumps used as roughing pumps in some older vacuum systems are fabricated by conventional machining. Typically, such an older scroll pump includes (1) an electric motor with an eccentric shaft to generate orbital motion of a scroll and (2) conventional bearings to restrict the orbital motion to a circle. The proposed miniature scroll pumps would differ from the prior, larger ones in both design and fabrication. A miniature scroll pump would include two scrolls: one mounted on a stationary baseplate and one on a flexure stage (see figure). An electromagnetic actuator in the form of two pairs of voice coils in a push-pull configuration would make the flexure stage move in the desired circular orbit. The capacitance between the scrolls would be monitored to provide position (gap) feedback to a control system that would adjust the drive signals applied to the voice coils to maintain the circular orbit as needed for precise sealing of the scrolls. To minimize power consumption and maximize precision of control, the flexure stage would be driven at the frequency of its mechanical resonance. The miniaturization of these pumps would entail both operational and manufacturing tolerances of <1 m. Such tight tolerances cannot be achieved easily by conventional machining of high-aspect-ratio structures like those of scroll-pump components. In addition, the vibrations of conventional motors and ball bearings exceed these tight tolerances by an order of magnitude. Therefore, the proposed pumps would be fabricated by the microfabrication method known by the German acronym LIGA ( lithographie, galvanoformung, abformung, which means lithography, electroforming, molding) because LIGA has been shown to be capable of providing the required tolerances at large aspect ratios