molecular dynamics methods for modeling complex interactions in biomaterials

... for the scattering of an electron EF Fermi energy xx CHAPTER 1.1 INTRODUCTION Motivation The main driving force for performance in the semiconductor industry lies in the need to increase both ... Models: Monte Carlo and Molecular Dynamics methods The atoms set in motion by interactions with incident ions dissipate their initial kinetic energies in a series of inelastic encounters with ... A MODELING STUDY OF ION IMPLANTATION IN CRYSTALLINE SILICON INVOLVING MONTE CARLO AND MOLECULAR DYNAMICS METHODS CHAN HAY YEE, SERENE {B Eng (Hons.), NUS} A THESIS SUBMITTED FOR THE DEGREE...

Ngày tải lên: 12/09/2015, 21:02

... entailment information when identifying answers to questions Results from this baseline are presented in Table Creating New Sources of Training Data In order to obtain more training data for our ... System Processing textual entailment, or recognizing whether the information expressed in a text can be inferred from the information expressed in another text, can be performed in four ways We ... to the original question Integrating Textual Entailment in Question Answering In this section, we describe three different methods for integrating a textual entailment (TE) system into the architecture...

Ngày tải lên: 08/03/2014, 02:21

... exposing his appointments On the one hand, they contain sensitive information On the other, exposing them means enforcing his position in the hierarchy, a kind of powerplay which draws new trade In ... to appointments, the gun firing itself to signal an upcoming appointment with the loudness expressing its importance, and pointing at a wall and repeatedly firing the gun to project information ... sufficient for one day Which finger a ring is on determines the importance of the appointment: the more towards the little finger, the more trivial The rings are available in different forms and...

Ngày tải lên: 16/03/2014, 18:20

... extensively investigated by other researchers including foreign ones Additional information in such problems is provided in the integral form and admits a physical interpretation as a result of measuring ... noting that the characteristics of the boundary being an equilibria in thermodynamics lead to supplementary problems for investigating inverse problems with the final overdetermination, since in ... discovering forces makingplanets movein accordance with Kepler’s laws was one of the first inverse problems in dynamics of mechanical systems solved in the past Inverse problems in potential theory in...

Ngày tải lên: 17/03/2014, 14:30

... neighborhoods are formed for every pixel in the image domain X Once adaptive neighborhoods are found, one must find some modeling for depth channel before utilizing this structural information Constant ... pixels, which affects in reducing phantom colors in the resulting image In our approach, we calculate filter weights using information from color frame in RGB, while applying filtering on depth map ... this modeling is simple, it has proven quite effective for mitigating the blocking artifacts arising from quantization of transform coefficients [14] In particular, it allows for establishing a...

Ngày tải lên: 21/06/2014, 17:20

... applying them in the mouse Unfortunately, at the present time, there is no gold standard for measuring lung function in mice, since none of the available methods is optimal in all regards Some investiga- ... Racila D, Elliott DE, Weinstock JV, Kline JN: Intestinal helminths protect in a murine model of asthma J Immunol 2006, 177:1628-1635 Bates JH, Mitzner W: Point : counterpoint lung impedance measurements ... such as methacholine (MCh) are administered to the animal at increasing doses either by aerosol inhalation or systemically by intravenous administration via the tail or jugular vein Airway responsiveness...

Ngày tải lên: 12/08/2014, 15:21

... was followed by the reinforcing mats placing team These were transported down the face with the use of a trolley travelling on two rail lines The reinforcing mats were placed in the middle of the ... per cubic metre Reinforcing of 0.4% was adopted in each direction in the center of the slab The slabs were concreted using a 15m wide slip form The sealing of the perimeter joint consists of: ... Geotechnical Engineering such as: Rock and alluvial foundation grouting, diaphragm walls, rock anchoring, dam instrumentation and monitoring Planning and quality control of all the works involved in the...

Ngày tải lên: 13/08/2014, 22:21

... methods for determining structural properties and conditions Information derived from conducting these types of tests is important in evaluating the integrity of a concrete structure Such information ... pile shaft is indicated by change in slope of line representing arrival time of stress pulse as function of depth) radiometric methods and radiographic methods Both involve gaining information about ... additional information in Carino (1992) Fig 2.5.2 is a schematic of a continuous eddy-current covermeter In the absence of a reinforcing bar, the magnitude of the alternating current in the coil...

Ngày tải lên: 24/10/2014, 17:44

... Re=185 in the case of a cross-line oscillating cylinder in uniform flow .165 Table 4.5 Comparisons of shedding frequency at Re=100 in the case of a in- line oscillating cylinder (fe/fo=0) in ... domain Ωsd i Smoothing domain, the superscript “sd” denotes “smoothing domain” Γsd i Boundary of the smoothing domain Ωsd i Aisd Area of the smoothing domain Ωsd i Nsd Number of smoothing domains ... problem domain into Nsd non-overlapping smoothing domains Ωsd of xi The smoothing domain is also used as the basis for integration i 41 Fig 2.2 Illustration of smoothing domains (shaded...

Ngày tải lên: 09/09/2015, 10:06

... nonlinear body [27], variational methods can be used for modeling of nonlinear biological soft tissue deformation in the finite deformation regime By defining the modeling problem as an energy minimization ... approach in dealing with nonlinear problem Variational based modeling methods have many applications in soft tissue deformation modeling Realistic and efficient modeling and animation of skin for ... related works in soft tissue modeling 2.1 Non-physical based computational methods The non-physical computational methods for tool-tissue interaction modeling include free-form deformation methods...

Ngày tải lên: 09/09/2015, 11:30

... connection and routing within the surrounding area 1.2 Port Container Terminals and Quayside Operations In general terms, the container handling activities in a typical port container terminal can be ... container terminal Quay Crane Quayside Operation Yard Crane HIT Truck Vessel Discharging container flow Loading container flow Figure 1.2: Schema for container ow in a port container terminal ... indented berths for mega-containerships At rst, the authors rewrote the formulation of the problem proposed in Nishimura et al (2001), modifying the original non-linear integer programming formulation...

Ngày tải lên: 10/09/2015, 15:48

... additional ring (b) one additional ring with smaller Gaussian integration points in each triangle Here (+) are Gauss points for domain integration; (◦) are Gauss points for line integration ... (XFEM) for heterogeneous materials, including porous structures Instead of using the Heaviside enrichment function for the strong discontinuity of the holes’ interfaces, the penalty method is introduced ... cell containing 29 circular inclusions: VCFEM (thickline) and FEM (thin line) 85 4-14 Von Mises stress distribution of the composite unit cell containing 29 circular inclusions:...

Ngày tải lên: 10/09/2015, 15:51

... nite element model (LEVCFEM) for simulating evolving fracture in ductile microstructures containing inclusions, International Journal for Numerical Methods in Engineering, vol 76, pp 19551992, 2009 ... and T Belytschko, Blending in the extended nite element method by discontinuous Garlerkin and assumed strain methods, International Journal for Numerical Methods in Engineering, vol 74, pp 16451669, ... method for modeling phase transformations, International Journal for Numerical Methods in Engineering, vol 54, pp 12091233, 2002 [67] M Stolarska, D Chopp, N Moăs, and T Belytschko, Modelling crack...

Ngày tải lên: 10/09/2015, 15:51

... a cone, indicating that the observed eddy could be a natural way to allow for the streamlines of the flow with both in owing and outflowing zones to be enclosed within a finite container Forty years ... algebraically decaying boundary layer near the apex of a cone, there has been no direct evidence for the algebraically decaying boundary layers in inflowing flows in cones To summarize, in owing flows in cones ... domain is in nite in ζ To deal with the in nite domain we should either transfer the boundary conditions from in nity or introduce the basis functions for a spectral method defined in the in nite...

Ngày tải lên: 11/09/2015, 09:05

... useful information from data for the purposes of process modeling, control, and monitoring is one of the challenges in chemical industries In this thesis, a new just -in- time learning (JITL) modeling ... competition getting more intense than before, growing demands for improving performance of process still stimulate researchers to develop more efficient and reliable methods for process modeling, control ... approaches for nonlinear process modeling 2.1.1 Standard-learning methods The standard-learning approach includes NARMAX (nonlinear autoregressive moving average models with exogenous inputs),...

Ngày tải lên: 30/09/2015, 05:58

... approach in comparison with existing work Instead of working on analysing a general event-driven system or proposing any new formal language of ECA, we focus on modeling and verifying specific domain ... axm1 : RAINING = BOOL axm2 : SHARP = BOOL END MACHINE ACC M1 REFINES ACC M0 SEES Weather Road VARIABLES isRain speed target det isSharp INVARIANTS inv1 : isRain RAINING cxt ct : isRain = TRUE ... refined machine disc and one of abstract machine dis have a gluing variant (inv 3) Chapter Verifying imprecise system requirements 6.1 Introduction Formal methods are used not only for specifying...

Ngày tải lên: 12/05/2016, 22:37

... particular problems in order to make use of the maximum amount of information available The use of any extra information available for a specific problem is particularly important in choosing the regularization ... regularization methods developed for the Cauchy problems are considered in this paper These methods are investigated and compared in order to reveal their performance and limitation All the methods ... to transform the governing partial differential equation (1) into its canonical form by changing the spatial coordinates However, after the transformation, the domain deforms and rotates and the...

Ngày tải lên: 16/06/2016, 01:11

... environment for modeling and proving in Event-B It is built on top the Eclipse platform and it contains a set of plug-ins used to support modeling and proving Event-B models The Rodin tool provides ... in comparison with the existing work Instead of working on analysing a general eventdriven system or proposing any new formal language of ECA, we focus on modeling and verifying specific domain ... specification for discrete transitions modeling A part of Event-B specification for continuous transitions modeling A part of Event-B specification for eventuality property modeling Container Crane...

Ngày tải lên: 05/07/2016, 10:51

... mm x 0.15 µm 120 °C ( min) - 15 °C/min - 300 °C (3 min) 149 110 °C (10 min) - 20 °C/min -150 °C (0 min) 4°C/min - 250°C (0 min) 15 °C/min - 300 °C (5 min) 149 and 163 for quantitation; 150, 154, ... °C ( min) - °C/min 300 °C - - DB-5HT 28 m x 0.32 µm 70 °C ( min) - 13 °C/min - 280 °C (5 min) - - HP-5MS 30 m x 0.25 mm x 0.25 µm 60 °C ( min) - °C/min 175 °C (1 min) - 3°C/min 280°C (0 min) - ... of checking solvents and chemicals for contamination before use, distillation respectively clean up of solvents on aluminium oxide prior to use, heating of glass ware in a furnace, rinsing of...

Ngày tải lên: 06/10/2016, 09:27

... capacity to bind to MHC class II are illustrated in Table Evidently, there is a preference for serine or threonine as an anchor point for position P9 of the MBP peptide-binding grooves Interestingly, ... citrullinization of arginines (as occurs in multiple sclerosis) diminishes the interaction with negatively charged lipids in the myelin membrane, The activation of CD4+ T cells by peptide–MHC complexes ... (valine, isoleucine, methionine or glutamine) at P4 as a main anchor point As shown in Fig 7, the sequence alignment of MBP(74–85) with the three antigens fulfil the above amino-acid preferences for...

Ngày tải lên: 07/03/2014, 16:20