Ab initio study of the X 2Π and A 2Σ+ states of OH. I. Potential curves and properties

This is the published version, also available here: http://dx.doi.org/10.1063/1.1681891Accurate ab initio CI potential curves and molecular properties are presented for the X 2Π and A 2Σ+ states of OH. Results with known experimental values in parentheses are Re (X 2Π) = 1.841(1.834) bohr, Re (A 2Σ+) = 1.906(1.913) bohr, De (X 2Π) = 4.43(4.63) eV, De (A 2Σ+) = 2.29(2.53) eV, μ(OH,X 2Π,ν=0) = 1.634(1.668) D, and μ(OD,A 2Σ+,ν=0) = 1.861(1.72±0.10) D. Spectroscopic constants calculated from the theoretical potential curves are in satisfactory agreement with experimental results. Other molecular properties studied include quadrupole moments and the electric field gradient at the nuclei

Effect of Grain Size and Shape on Undrained Behaviour of Sands

The stress–strain and stress path characteristics of sands are influenced by their grain size, shape, and packing. Morphological characteristics and size of particles play important role on the undrained shear strength of sands. Often, effects of these parameters are complex and cannot be easily distinguished. This study advances the knowledge of the role of particle size and shape on the undrained shear strength of sands. To eliminate the consequence of morphological characteristics, two sands with different particle sizes but similar angularity, and another sand with different roundness were selected for the study. These morphological characteristics for all three sands were determined from the analysis of scanning electron microscope images. F131 sand with higher median grain size and lower shape factors (rᵣ and rₛ) had highest undrained peak shear strength and phase transformation value. Undrained strength (qₚₜ) and effective principal stress (P′ₚₜ) in phase transformation point had direct relationship with grain median grain size (D₅₀) and inversely effect of shape factor (rᵣ and rₛ). F131 and F161 sands represented highest peak and ultimate steady-state strengths, respectively. Flow potential appeared to be directly proportional with (rᵣ and rₛ) and inversely with D₅₀. The peak index decreased with increasing shape factors (rᵣ and rₛ)

Evaluation of range of motion restriction within the hip joint

In Total Hip Arthroplasty, determining the impingement free range of motion requirement is a complex task. This is because in the native hip, motion is restricted by both impingement as well as soft tissue restraint. The aim of this study is to determine a range of motion benchmark which can identify motions which are at risk from impingement and those which are constrained due to soft tissue. Two experimental methodologies were used to determine motions which were limited by impingement and those motions which were limited by both impingement and soft tissue restraint. By comparing these two experimental results, motions which were limited by impingement were able to be separated from those motions which were limited by soft tissue restraint. The results show motions in extension as well as flexion combined with adduction are limited by soft tissue restraint. Motions in flexion, flexion combined with abduction and adduction are at risk from osseous impingement. Consequently, these motions represent where the maximum likely damage will occur in femoroacetabular impingement or at most risk of prosthetic impingement in Total Hip Arthroplasty

Induced sensorimotor brain plasticity controls pain in phantom limb patients

The cause of pain in a phantom limb after partial or complete deafferentation is an important problem. A popular but increasingly controversial theory is that it results from maladaptive reorganization of the sensorimotor cortex, suggesting that experimental induction of further reorganization should affect the pain, especially if it results in functional restoration. Here we use a brain-machine interface (BMI) based on real-time magnetoencephalography signals to reconstruct affected hand movements with a robotic hand. BMI training induces significant plasticity in the sensorimotor cortex, manifested as improved discriminability of movement information and enhanced prosthetic control. Contrary to our expectation that functional restoration would reduce pain, the BMI training with the phantom hand intensifies the pain. In contrast, BMI training designed to dissociate the prosthetic and phantom hands actually reduces pain. These results reveal a functional relevance between sensorimotor cortical plasticity and pain, and may provide a novel treatment with BMI neurofeedback.This research was conducted under the ‘Development of BMI Technologies for Clinical Application’ of SRPBS by MEXT and AMED. This research was also supported in part by JST PRESTO; JSPS KAKENHI JP24700419, JP26560467, JP22700435, JP26242088, JP26282165, JP15H05710 and JP15H05920; Brain/MINDS and SICP from AMED; ImPACT; Ministry of Health, Labor, and Welfare (18261201); and the Japan Foundation of Aging and Health

Shear stress distribution within narrowly constrained structured grains and granulated powder beds

An experimental study is presented here to understand the stress transmission characteristics under different geometrical arrangements of particulates inside a narrow chamber subjected to axial compression loading. The multi-grain systems considered here are face-centred, simple cubic and poly-dispersed structures, as well as inclusions embedded inside seeded, unseeded and cohesive powder bed of Durcal (calcium carbonate). The distribution of the maximum shear stress, direction of the major principal stress and shear stress concentration factor were obtained using photo stress analysis tomography (PSAT). The results show that the maximum shear stress distribution in the simple cubic structure is chain-like and self-repetitive, i.e, a single grain behaviour is representative of the whole system. This is not the case in the case of other granular packing. In the case of the inclusion surrounded by powder media, the maximum shear stress distribution in the inclusion occurs through ring-like structures, which are different from those observed in the structured granular packing. This tendency increases for an increase in the cohesivity of the surrounding particulates. In the granular systems, the direction of the major principal stress is mostly orthogonal to the direction of loading except in some particles in the random granular packing. In the case of inclusion surrounded by Durcal particulates, the directional of the major principal stress acts along the direction of the axial loading except in the ring region where this tends to be oblique to the direction of axial loading. Estimates of the shear stress concentration factor (k) show that, k tends to be independent of the structural arrangement of granular packing at higher load levels. In the case of inclusion surrounded by powder bed, k for the seeded granulated particulate bed is mostly independent of the external load levels. In the case of unseeded particulate (granulated) bed, a fluctuation in k is observed with the loading level. This suggests that the seeded granules could distribute stresses in a stable manner without much change in the nature of shear stress-transmitting fabric of the particulate contacts under external loading. An increase in the cohesion of particulate bed results in more plastic deformation as shown by the differential shear stress concentration factor. The results reported in this study show the usefulness of optical stress analysis to shed some scientific lights on unravelling some of the complexities of particulate systems under different structural arrangements of grains and surrounding conditions of the inclusions in particulate media

An Elasto-plastic Model for Liquefiable Sands Subjected to Torsional Shear Loadings

This paper presents a modeling procedure for simulating the monotonic undrained torsional shear behavior of sands, including stress-strain relationship, and excess pore water pressure generation, while considering the void ratio and stress level dependence of stress-strain-dilatancy behavior of sand. A unique set of soil parameters is required by the model to satisfactorily predict the undrained behavior of loose and dense Toyoura sand over a wide range of initial void ratios and confining pressures, as proven by simulating experimental data produced by the authors and found in the literature

Minimally invasive computer-navigated total hip arthroplasty, following the concept of femur first and combined anteversion: design of a blinded randomized controlled trial

<p>Abstract</p> <p>Background</p> <p>Impingement can be a serious complication after total hip arthroplasty (THA), and is one of the major causes of postoperative pain, dislocation, aseptic loosening, and implant breakage. Minimally invasive THA and computer-navigated surgery were introduced several years ago. We have developed a novel, computer-assisted operation method for THA following the concept of "femur first"/"combined anteversion", which incorporates various aspects of performing a functional optimization of the cup position, and comprehensively addresses range of motion (ROM) as well as cup containment and alignment parameters. Hence, the purpose of this study is to assess whether the artificial joint's ROM can be improved by this computer-assisted operation method. Second, the clinical and radiological outcome will be evaluated.</p> <p>Methods/Design</p> <p>A registered patient- and observer-blinded randomized controlled trial will be conducted. Patients between the ages of 50 and 75 admitted for primary unilateral THA will be included. Patients will be randomly allocated to either receive minimally invasive computer-navigated "femur first" THA or the conventional minimally invasive THA procedure. Self-reported functional status and health-related quality of life (questionnaires) will be assessed both preoperatively and postoperatively. Perioperative complications will be registered. Radiographic evaluation will take place up to 6 weeks postoperatively with a computed tomography (CT) scan. Component position will be evaluated by an independent external institute on a 3D reconstruction of the femur/pelvis using image-processing software. Postoperative ROM will be calculated by an algorithm which automatically determines bony and prosthetic impingements.</p> <p>Discussion</p> <p>In the past, computer navigation has improved the accuracy of component positioning. So far, there are only few objective data quantifying the risks and benefits of computer navigated THA. Therefore, this study has been designed to compare minimally invasive computer-navigated "femur first" THA with a conventional technique for minimally invasive THA. The results of this trial will be presented as soon as they become available.</p> <p>Trial registration number</p> <p>DRKS00000739</p