Theoretical study of the microwave spectrum of isotopologues of OCS–(He)2

2010 ◽  
Vol 88 (11) ◽  
pp. 1146-1154 ◽  
Author(s):  
Hui Li ◽  
Yongdong Liu ◽  
Wolfgang Jäger ◽  
Robert J. Le Roy ◽  
Pierre-Nicholas Roy
Keyword(s):  
Energy Levels ◽  
Three Dimensional ◽  
Chem Phys ◽  
The Body ◽  
Spectral Lines ◽  
Basis Set ◽  
Rotational Spectra ◽  
Three Dimensional Representation ◽  
Three Body

The rovibrational energy levels (J = 0–3) and rotational spectra of seven isotopologues of the OCS–(He)2 complex have been determined by numerically exact basis set calculations. The interaction energy is represented as a sum of two-body terms consisting of the OCS–He potential, which Howson and Hutson (J. Chem. Phys. 2001, 115, 5059) obtained at the CCSD(T)/aug-cc-pVTZ level of theory, and the He–He potential that Jeziorska et al. (J. Chem. Phys. 2007, 127,124303) obtained with SAPT theory. Three-body effects and the quality of the potential are discussed. Comparison with experiment shows that microwave transitions can be predicted by this additive approach with an accuracy equal or better than 0.7% for all the observed spectral lines. A method for the three-dimensional representation of the helium density in the body-fixed frame is presented that highlights the highly delocalized nature of the helium subsystem.

scholarly journals Effect of Body Representation Level of an Avatar on Quality of AR-Based Remote Instruction

2020 ◽  
Vol 4 (1) ◽  
pp. 3
Author(s):  
Tzu-Yang Wang ◽  
Yuji Sato ◽  
Mai Otsuki ◽  
Hideaki Kuzuoka ◽  
Yusuke Suzuki
Keyword(s):  
Augmented Reality ◽  
Body Representation ◽  
The Body ◽  
Instruction System ◽  
Three Body ◽  
To Receive ◽  
Representation Level

In manufacturing, augmented reality (AR)-based remote instruction systems, which enable workers to receive instructions from an avatar, are widely used. In this study, we developed such a system and investigated the effect of the body representation level of the avatar on the quality of AR-based remote instruction. Drawing on the avatar designs of previous works, three different avatar designs (“Hand only”, “Hand + Arm”, and “Body”), representing three body representation levels, were created. In the experiment with a within-participant design, the avatar pointed at blocks sequentially and participants touched each block as soon as they identified it. The results of the experiment indicate that an AR-based remote instruction system with a “Body” avatar exhibits higher usability and can enable the participants to have a lower workload and higher efficiency.

CALCULATION OF SELECTED HIGHLY EXCITED VIBRATIONAL STATES OF POLYATOMIC MOLECULES BY THE DAVIDSON ALGORITHM

2003 ◽  
Vol 02 (04) ◽  
pp. 609-620 ◽  
Author(s):  
FABIENNE RIBEIRO ◽  
CHRISTOPHE IUNG ◽  
CLAUDE LEFORESTIER
Keyword(s):  
Energy Levels ◽  
Normal Modes ◽  
Chem Phys ◽  
Polyatomic Molecules ◽  
Zero Order ◽  
Basis Set ◽  
Vibrational States ◽  
Diagonalization Method ◽  
Davidson Algorithm ◽  
High Overtone

We described an improved version of a modified Davidson scheme previously introduced (F. Ribeiro, C. Iung and C. Leforestier, Chem. Phys. Lett.362, 199 (2002)), aimed at computing highly excited energy levels of polyatomic molecules. The key ingredient is a prediagonalization-perturbation step performed on a subspace of a curvilinear normal modes basis set (including diagonal anharmonicities). The efficiency of the method is demonstrated by computing the lowest 350 vibrational states of A′ symmetry of the HFCO molecule. Also shown is the possibility to restrict the calculation to selected energy levels, based on their zero-order description. This State Filtered Diagonalization method is illustrated on a high overtone (7ν5) of the OCF bend, and on the few energy levels (20) which have been experimentally assigned up to 5000 cm -1 of excitation energy.

Rotational transitions within the 21, 31, 41, and 61 states of formaldehyde H212C16O This article is part of a Special Issue on Spectroscopy at the University of New Brunswick in honour of Colan Linton and Ron Lees.

2009 ◽  
Vol 87 (5) ◽  
pp. 425-435 ◽  
Author(s):  
L. Margulès ◽  
A. Perrin ◽  
R. Janečkovà ◽  
S. Bailleux ◽  
C. P. Endres ◽  
...  
Keyword(s):  
Energy Levels ◽  
Ground Vibration ◽  
Chem Phys ◽  
Vibrational States ◽  
Millimetre Wave ◽  
Rotational Spectra ◽  
Wave Measurements ◽  
Bending Mode ◽  
Out Of Plane ◽  
Rotational Transitions

This work, besides its fundamental interest, is motivated by the atmospheric and astrophysical importance of formaldehyde (H2CO). The goal of this study is to complete the already existing list of rotational transitions within the ground vibration state by a list of transitions within the four first excited 21, 31, 41, and 61 vibrational states, to help the detection of this species by microwave or millimetre wave techniques. For this purpose, the rotational spectra of H2CO in the 21, 31, 41, and 61 excited vibrational states have been investigated in Lille and Cologne in the millimetre region at 160–600 GHz and 850–903 GHz, respectively. The results of these millimetre wave measurements were combined with the 21, 31, 41, and 61 infrared energy levels, which were obtained from previous analysis of FTS spectra of the ν4 (out of plane bending mode), ν6 (CH2 rock mode), and ν3 (CH2 bending mode) bands recorded in the 10 µm region (D.C. Reuter, S. Nadler, S.J. Daunt, and J.W.C. Johns. J. Chem. Phys. 91, 646 (1989)) and more recently for the ν2 fundamental band (C=O stretching, located at 1746.009 cm–1) (F. Kwabia Tchana, A. Perrin, and N. Lacome. J. Mol. Spectrosc. 245, 141, (2007)). The energy level calculation of the 21, 31, 41, and 61 interacting states accounts for the various Coriolis-type resonances that perturb the energy levels of the 21, 31, 41, and 61 vibrational states as well as for the anharmonic resonances coupling the 21 and 31 energy levels, and in this way the microwave and infrared data could be reproduced within their associated experimental uncertainty. However, it is clear that the theoretical model used to account for the very large A-type Coriolis resonance linking the 41 and 61 energy levels of H2CO is only effective with poor physical meaning.

Seeding from silica-reinforced lysozyme crystals for neutron crystallography

2018 ◽  
Vol 74 (12) ◽  
pp. 1200-1207 ◽  
Author(s):  
Jose A. Gavira ◽  
Mayte Conejero-Muriel ◽  
José Manuel Delgado-López
Keyword(s):  
Crystal Structure ◽  
Structural Model ◽  
Three Dimensional ◽  
The Body ◽  
Protein Crystals ◽  
Direct Influence ◽  
Scanning Calorimetry ◽  
Wide Range ◽  
Lysozyme Crystals

The fragility of protein crystals plays an important role in the final quality of the diffraction data and therefore that of the derived three-dimensional structural model. The growth of protein crystals in gels of various natures has been shown to overcome this problem, facilitating the manipulation of the crystals; this is probably owing, amongst other factors, to the incorporation of the gel fibres within the body of the crystal. In this study, lysozyme crystals were grown in silica gel at a wide range of concentrations of up to 22%(v/v) to quantitatively determine the amount of gel incorporated into the crystal structure by means of thermogravimetric analysis. The interaction between the silica fibres and the lysozyme molecules within the crystals was also investigated using Raman spectroscopy and the direct influence on the crystalline protein stability was analysed using differential scanning calorimetry. Finally, the benefits of the use of gel-grown crystals to overgrow protein crystals intended for neutron diffraction are highlighted.

scholarly journals The Influence of X-Factor (Trunk Rotation) and Experience on the Quality of the Badminton Forehand Smash

2016 ◽  
Vol 53 (1) ◽  
pp. 9-22 ◽  
Author(s):  
Zhao Zhang ◽  
Shiming Li ◽  
Bingjun Wan ◽  
Peter Visentin ◽  
Qinxian Jiang ◽  
...  
Keyword(s):  
Motion Capture ◽  
Teaching And Learning ◽  
Three Dimensional ◽  
Biomechanical Model ◽  
Kinematic Chain ◽  
The Body ◽  
Trunk Rotation ◽  
Preparation Phase ◽  
Full Body

AbstractNo existing studies of badminton technique have used full-body biomechanical modeling based on three-dimensional (3D) motion capture to quantify the kinematics of the sport. The purposes of the current study were to: 1) quantitatively describe kinematic characteristics of the forehand smash using a 15-segment, full-body biomechanical model, 2) examine and compare kinematic differences between novice and skilled players with a focus on trunk rotation (the X-factor), and 3) through this comparison, identify principal parameters that contributed to the quality of the skill. Together, these findings have the potential to assist coaches and players in the teaching and learning of the forehand smash. Twenty-four participants were divided into two groups (novice, n = 10 and skilled, n = 14). A 10-camera VICON MX40 motion capture system (200 frames/s) was used to quantify full-body kinematics, racket movement and the flight of the shuttlecock. Results confirmed that skilled players utilized more trunk rotation than novices. In two ways, trunk rotation (the X-factor) was shown to be vital for maximizing the release speed of the shuttlecock – an important measure of the quality of the forehand smash. First, more trunk rotation invoked greater lengthening in the pectoralis major (PM) during the preparation phase of the stroke which helped generate an explosive muscle contraction. Second, larger range of motion (ROM) induced by trunk rotation facilitated a whip-like (proximal to distal) control sequence among the body segments responsible for increasing racket speed. These results suggest that training intended to increase the efficacy of this skill needs to focus on how the X-factor is incorporated into the kinematic chain of the arm and the racket.

Classification of body shape characteristics of women's torsos using angles

2010 ◽  
Vol 22 (4) ◽  
pp. 297-311 ◽  
Author(s):  
Wookyung Lee ◽  
Haruki Imaoka
Keyword(s):  
Body Shape ◽  
Three Dimensional ◽  
The Body ◽  
Data Set ◽  
Content Type ◽  
Body Sizes ◽  
Body Shapes ◽  
Three Body ◽  
Shape Characteristics

PurposeThe purpose of this paper is to classify body shapes using angular defects instead of sizes.Design/methodology/approachA large amount of dimensional data from a national anthropometry survey was analysed, and a basic pattern and its polyhedron were also used to create a three‐dimensional body shape from three body sizes. Using this method, the sizes were converted into nine angular defects.FindingsThe authors could define the factors explaining body shape characteristics and classify the body shapes into four groups. The four groups could be characterised by two pattern making difficulties of the upper and lower parts of the body as well as by two proportions, of waist girth to bust girth and bust girth to back length. Furthermore, depending on the age, the authors could understand body shape by the angle made.Originality/valueUsing a polyhedron model, the angles could be calculated using an enormous existing data set of sizes. An angular defect serves as an index to indicate the degree of difficulty for developing a flat pattern. If an angular defect of the bust is large, it is difficult to make a paper pattern of a bust dart. On the other hand, if an angular defect of the waist is large, it is easy to make a paper pattern of a waist dart. Thus, each body shape could be simultaneously characterized by two difficulty indices and two proportions of sizes.

scholarly journals Efficient Body Registration Using Single-View Range Imaging and Generic Shape Templates

2020 ◽  
Vol 6 (3) ◽  
pp. 119-122
Author(s):  
Tolga-Can Çallar ◽  
Elmar Rueckert ◽  
Sven Böttger
Keyword(s):  
Body Surface ◽  
Three Dimensional ◽  
Medical Robotics ◽  
The Body ◽  
Clinical Settings ◽  
Medical Systems ◽  
Registration Method ◽  
Single View ◽  
Initial Results

AbstractComputer-aided medical systems, e.g. in the fields of medical robotics or image-based assistance, are continuously investigated to overcome human limitations concerning perception, memory or dexterity. A common requirement of such systems is the availability of a digital model describing the patient’s position and morphology during a procedure. Operational complexity and technical limitations of established 3D imaging methods leave clinical settings in need of a method for the fast acquisition of a three-dimensional body surface representation. For this purpose, we propose an unsupervised and efficient body registration pipeline based on the markerless elastic registration and completion of single-view stereo range images of the body surface with statistical parametric body shape templates. Initial results show a promising representative quality of the models generated through the registration process with submillimetric fitting accuracy and realistic surface morphology, indicating the general feasibility of our approach as an instant body registration method for automated medical and biometric applications.

The impact of 60-minute swimming training on the quality of body posture and the level of balance of young adults

2019 ◽  
Vol 4 (3) ◽  
pp. 1-6
Author(s):  
Dżesika Aksamit ◽  
Tomasz Sidor ◽  
Adrian Gądek ◽  
Agnieszka Jankowicz-Szymańska
Keyword(s):  
Thoracic Kyphosis ◽  
Three Dimensional ◽  
Frontal Plane ◽  
The Body ◽  
Body Posture ◽  
Swimming Training ◽  
Significance Level ◽  
Before And After ◽  
The Impact

Introduction: Postural abnormalities are common in every age group. They often involve discomfort or pain. Unfortunately, specialist posture correcting body postures are almost exclusively for pre-school and school children. There is a widespread belief in the beneficial effects of swimming on the body posture. Some even think that swimming can replace corrective exercises. The aim of the study was to evaluate the changes in the quality of body posture and body balance under the influence of 60-minute intensive swimming training in people aged 20-22 years, whose level of swimming skills was determined as average. Material and methods: The study was conducted on a group of 9 people, students of the State Higher Vocational School in Tarnów. Ultrasonic device Zebris Pointer was used for three-dimensional assessment of body posture. The position of the shoulder and iliac girdle, the shape of the spine, the inclination of the sacrum bone and the inclination of the body in the sagittal and frontal plane were analyzed. The test was repeated before and after the one-hour lecture and before and after one-hour, intensive classes at the swimming pool. The results were developed in the Statistika v10 program. Descriptive statistics, non-parametric Friedman test and Kruskal posthoc test were used. The significance level α = 0.05 was assumed. Results: There was a statistically significant increase in pelvic rotation under the influence of swimming training. There was also a slight deterioration of the spine position in the frontal plane. Exercises improving swimming in the classic style did not affect the depth of thoracic kyphosis and lumbar lordosis. After 60 minutes spent in a relaxed sitting position, deepening thoracic kyphosis was observed. However, this change was not statistically significant. Conclusions: It is not recommended to treat swimming as a substitute for corrective gymnastics. Intensive swimming training can exacerbate existing body posture errors in people who are just improving their swimming technique.

scholarly journals New ab Initio Potential Energy Surfaces for the Renner-Teller Coupled 11A′ and 11A′′ States of CH2

2012 ◽  
Vol 2012 ◽  
pp. 1-12 ◽  
Author(s):  
Haitao Ma ◽  
Chunfang Zhang ◽  
Zhijun Zhang ◽  
Xiaojun Liu ◽  
Wensheng Bian
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Energy Levels ◽  
Electronic States ◽  
Nonlinear Least Squares ◽  
Basis Set ◽  
Least Squares Fit ◽  
Three Body ◽  
Energy Surfaces

New ab initio potential energy surfaces (PESs) for the two lowest-lying singlet 11A′ and 11A′′ electronic states of CH2, coupled by the Renner-Teller (RT) effect and meant for the spectroscopic study, are presented. The surfaces are constructed using a dual-level strategy. The internally contracted multireference configuration interaction calculations with the Davidson correction, using the aug-cc-pVQZ basis set, are employed to obtain 3042 points at the lower level. The core and core-valence correlation effects are taken into account in the ab initio calculations with a modified optimized aug-cc-pCVQZ basis set for the higher-level points. The analytical representations of these PESs, with the inclusion of the nonadiabatic RT terms, are obtained by the nonlinear least-squares fit of the calculated points to three-body expansion. Quantum dynamical calculations are performed on these PESs, and the computed vibronic energy levels for the two singlet electronic states are in excellent agreement with experiment.

scholarly journals RANGES OF ADMISSIBLE VALUES OF GEOMETRIC PARAMETERS OF A WHEELED JUMPING ROBOT

2018 ◽  
Vol 22 (2) ◽  
pp. 76-84 ◽  
Author(s):  
L. Yu. Vorochaeva ◽  
А. V. Malchikov ◽  
S. I. Savin
Keyword(s):  
Three Dimensional ◽  
The State ◽  
The Body ◽  
Geometric Parameters ◽  
Mutual Arrangement ◽  
Combined System ◽  
Three Dimensional Models ◽  
Jumping Robot ◽  
State Of The Environment

The use of robots to perform tasks traditionally assigned to people leads to an improvement in the quality of their implementation, a reduction in the costs and risks associated with them. A typical example of this is the task of monitoring and examining hard-to-reach areas. The introduction of robots to solve such problems could bring a significant economic and social effect, allowing the automation of a number of complex, time-consuming and potentially dangerous tasks, such as the compilation and updating of maps and three-dimensional models of emergency sites, the collection of data on the state of the environment in areas, exposed to biological or radiation contamination, continuous monitoring of the state of the environment and sampling of air and soil. The paper considers one of the possible designs of such robots: a wheeled jumping robot, which consists of an acceleration module for jumping(used to for overcome obstacles), and a wheel platform, which allows the robot to use wheeled locomotion when moving over the surfaces with small irregularities. The advantages of such a combined system include higher maneuverability and higher speeds of movement, as well as a wider functionality in terms of the range of terrains suitable for movement. For this robot, a design scheme has been developed and two critical positions of the device are identified, which allows to formulate conditions that impose limitations on the geometric parameters of the body, the acceleration module and the wheels, and their mutual arrangement, in order to ensure operation of the robot in two modes: wheeled and jumping. The results of modeling are presented in the form of permissible ranges for the length and height of the body, as well as the maximum length of the acceleration module from the radius of the wheels and the location of their installation point, taking into account the capability of the acceleration module to do a complete rotation within the robot’s frame .

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