Dynamic Simulation Software Research Articles

Study on Nitrogen Injection Fire Prevention and Extinguishing Technology in Spontaneous Combustion Gob Based on Gob-Side Entry Retaining.

Under the gob-side entry retaining mining mode with roof cutting and pressure relief (GERRC), the gob and retained roadway section are interconnected to create an open area. Owing to the increased airflow, the coal remnants in the gob are more prone to spontaneous combustion. This study aimed to investigate the distribution of oxygen concentration within a gob and identify optimal parameters for nitrogen injection. The engineering context was the "110 method" introduced in the 1201 working face of the South Five mining area at Daxing. Computational fluid dynamics simulation software was used to analyze the effects of various nitrogen injection treatment parameters on the overall performance of the gob, including their impact on oxygen distribution. The simulation results showed that air leakage within the gob primarily originates from the working face adjacent to the intake roadway, as well as gaps within the retained roadway. The increased air leakage causes the high O2 concentration range in the gob to expand, and the retained roadway section is connected to an area with a high concentration of oxygen near the working face, which increases the risk of residual coal spontaneous combustion. The results show that the optimal nitrogen injection conditions for inerting and reducing the risk of spontaneous combustion within the gob require an injection quantity of 500 m3/h, with the injection point located at a depth of 60 m. With these parameters, the range of the oxidation zone was significantly reduced. To monitor the O2 concentration and temperature change curves in the gob during the project implementation, a bundle tube monitoring system was used, considering the actual mining situation. By varying the nitrogen injection spacing and quantity, we found that injecting nitrogen at a spacing of 30 m and at a quantity of 500 m3/h effectively placed most areas of the gob in the suffocation zone, reducing the risk of spontaneous combustion of residual coal. The accuracy of the simulation was verified. The study offers valuable insights into improving safety in coal mines and reducing spontaneous combustion incidents, providing important reference significance for fire prevention and control.

Dynamic model of a waste heat boiler

The paper discusses the experience of developing and identifying a model of a waste heat boiler as a distributed parameters plant. The waste heat boiler is considered as a heat exchanger with cross flows of interacting media. The first order hyperbolic equation acts as a mathematical model of water flow heating with a variable rate. Using the spectral method of distributed systems, a representation of the problem is obtained in the form of an expansion into a series in an orthonormalized basis, which makes it possible to represent the solution in the form of a vector-matrix model of the state space. The state-space representation is used to implement the model in a dynamic systems simulation package. The heater temperature calculation is based on the energy balance equation. The temperature of the media separator wall is determined by the heat fluxes between the exhaust gas, the wall, and the heated water. The wall temperature is assumed to be constant along the entire length of the heat exchanger. The paper presents a block diagram of the model, which takes into account the mutual influence of the wall temperatures and the heated water flow. The heat flux from the exhaust gas is calculated directly from the known parameters of the exhaust gas at the inlet and outlet of the waste heat boiler. Based on the design parameters of the heat exchanger, the dynamic characteristics of the heat transfer process are determined. The data obtained during the operation of the waste heat boiler are used to identify the heat transfer coefficient between the walls of the heat exchanger and the water flow. The result of the heat transfer coefficient identification agrees with the reference data. The article presents graphs of the original data, simulation results. It is shown that the maximum mismatch between the model and real data does not exceed two degrees, and the mean absolute error is less than 0.2 degrees.

Simulation Study on Local Scour Characteristics of Tandem Bridge Piers in a Straight River under a Changing Environment

Hydrodynamics is a common manifestation that causes natural scouring of riverbeds, and it is one of the factors that exacerbate the natural disasters of local scouring of bridge piers, causing sustainability of environmental changes in the water. The evolution pattern and scour characteristics of the bed surface around the submerged structures under different scouring conditions vary greatly. In order to investigate the scour mechanism, the reformed group (RNG) turbulence model in computational fluid dynamics (CFD) simulation software (v11.2) was used to simulate the scour under the clear-water scour and live-bed scour environments, and different scour morphology characteristics around the tandem piers under the clear-water scour and live-bed scour environments were obtained in the final simulation. By capturing the cross-sectional vortex and bed shear stress during the scouring process, the characteristic pattern of scouring topography around the pier and the relationship between the scour hole structure scale were analyzed, and the relationship equation between the development of scour depth and time scale was established. The study shows that: under the clear-water scouring environment, the sediment transport rate lags behind, but the contribution time is superior; under the live-bed scouring environment, by the shading and reinforcement influence of the upstream piers, the extent and development of the downstream pier surrounding the scour hole is small; the development trend of the maximum sediment transport rate of the scour hole and the great value of the shear stress is more synergistic, and the peri-pier eddy is positively correlated with the bed shear stress; through the regression equation to compare the relevant test and simulation results, the two are in good agreement, indicating that the simulated local scour evolution law is consistent with the actual law.

Energy Flexibility and towards Resilience in New and Old Residential Houses in Cold Climates: A Techno-Economic Analysis

One of the main sectors that contribute to climate change is the buildings sector. While nearly zero-energy buildings are becoming a new norm in many countries in the world, research is advancing towards energy flexibility and resilience to reach energy efficiency and sustainability goals. Combining the energy flexibility and energy resilience concept is rare. In this article, we aim to investigate the effect of energy efficiency in a new single-family building on the energy flexibility potential and resilience characteristics and compare these with those for an old building in the cold climate of Finland. These two objectives are dependent on the buildings’ respective thermal mass. The heat demands of the two buildings are compared. Their technical and economic performance are calculated to compare their flexibility and resilience characteristics. Dynamic simulation software is used to model the buildings. The results show that the old building has better flexibility and higher energy cost savings when including the energy conservation activation strategy. In the old building, savings can be around EUR 400 and flexibility factor can be around 24–52% depending on the activation duration and strategy. The new building, due to higher efficiency, may not provide higher energy cost savings, and the energy conservation activation strategy is better. In the new building, savings can be around EUR 70 and the flexibility factor reaches around 7–14% depending on the activation duration and strategy. The shifting efficiency of the new house is better compared to that of the old house due to its higher storage capacity. For energy resilience, the new building is shown to be better during power outages. The new building can be habitable for 17 h, while the old building can provide the same conditions for 3 h only. Therefore, it is essential to consider both energy flexibility and resilience as this can impact performance during the energy crisis.

Assembly of a Diphenylalanine Peptide Nanotube by Molecular Dynamics Methods

The paper develops an approach to modeling the processes of self-assembly of complex molecular nanostructures by molecular dynamics methods using a molecular dynamics manipulator. Previously, this approach was considered using the example of assembling a phenylalanine helical nanotube from a linear set of chains of phenylalanine (F) molecules of different chirality: left-handed L-F and right-handed D-F chirality L-FF and D-FF. The process of self-assembly of dipeptide chains into helical structures of nanotubes is an imitation of applying certain forces to the existing initial linear structure in order to obtain the final structure of the same chemical composition, but with a different helical geometry. The PUMA-CUDA molecular dynamics simulation software package was used as the main software. Using this tool, one can investigate the formation of helical structures from a linear sequence of any amino acids. A comparative analysis of the structures of nanotubes obtained by assembling by molecular dynamics methods and by their experimental self-assembly was performed using the method of visual differential analysis. It has been established that the obtained data correspond to the law of the sign change of chirality of molecular helical structures with the complication of their hierarchical level of organization.

An Integrated Decision-Making Framework for Mitigating the Impact of Urban Heat Islands on Energy Consumption and Thermal Comfort of Residential Buildings

Urban heat island (UHI) is a zone that is significantly warmer than its surrounding rural zones as a result of human activities and rapid and dense urbanization. Excessive air temperature due to the UHI phenomenon affects the energy performance of buildings and human health and contributes to global warming. Knowing that most of the building energy is consumed by residential buildings, therefore, developing a framework to mitigate the impact of the UHI on residential building energy performance is vital. This study develops an integrated framework that combines hybrid micro-climate and building energy performance simulations and multi-criteria decision-making techniques. As a case study, an urban area is analyzed under the Urban GreenUP project funded by the European Union’s Horizon 2020 Programme. Four different strategies to mitigate the UHI effect, including the current situation, changing the low-albedo materials with high-albedo ones, nature-based solutions, and changing building façade materials, are investigated with a micro-climatic simulation tool. Then, the output of the strategies, which is potential air temperature, is used in a dynamic building energy simulation software to obtain energy consumption and thermal comfort data of the residential buildings in the case area. Finally, a multi-criteria decision-making model, using real-life criteria, such as total energy consumption, thermal comfort, capital cost, lifetime and installation flexibility, is used to make a decision for decreasing the UHI effect on residential energy performance of buildings. The results showed that applying NBSs, such as green roofs and changing existing trees with high leaf area density ones, have the highest ranking among all mitigation strategies. The output of this study may help urban planners, architects, and engineers in the decision-making processes during the design phase of urban planning.

Research on Walking Gait Planning and Simulation of a Novel Hybrid Biped Robot

A kinematics analysis of a new hybrid mechanical leg suitable for bipedal robots was carried out and the gait of the robot walking on flat ground was planned. Firstly, the kinematics of the hybrid mechanical leg were analyzed and the applicable relevant models were established. Secondly, based on the preliminary motion requirements, the inverted pendulum model was used to divide the robot walking into three stages for gait planning: mid-step, start and stop. In the three stages of robot walking, the forward and lateral robot centroid motion trajectories and the swinging leg joint trajectories were calculated. Finally, dynamic simulation software was used to simulate the virtual prototype of the robot, achieving its stable walking on flat ground in the virtual environment, and verifying the feasibility of the mechanism design and gait planning. This study provides a reference for the gait planning of hybrid mechanical legged bipedal robots and lays the foundation for further research on the robots involved in this thesis.

Rational design of a self-assembly promoting fusion domain enhances high molecular weight levan synthesis by levansucrase SacB

The catalytic product of levansucrase from Bacillus subtilis (SacB) is mainly composed of 10 % high molecular weight levan (HMW, ~2000 kDa) and 90 % low molecular weight levan (LMW, ~7000 Da). In order to achieve efficient production of food hydrocolloid, high molecular weight levan (HMW), with the help of molecular dynamics simulation software, a protein self-assembly element, Dex-GBD, was found and fused with the C-terminus of SacB to construct a novel fusion enzyme, SacB-GBD. The product distribution of SacB-GBD was reversed compared with SacB, and the proportion of HMW in the total polysaccharide was significantly increased to >95 %. We then confirmed that the self-assembly was responsible for the reversal of the SacB-GBD product distribution by the simultaneous modulation of SacB-GBD particle size and product distribution by SDS. The hydrophobic effect may be the main driver of self-assembly as analyzed by molecular simulations and hydrophobicity determination. Our study provides an enzyme source for the industrial production of HMW and provides a new theoretical basis for guiding the molecular modification of levansucrase towards the size of the catalytic product.

Optimal sampling-based path planning for mobile cable-driven parallel robots in highly constrained environment

Mobile cable-driven parallel robots (MCDPRs) is a novel concept of cable-driven parallel robots (CDPRs) developed by mounting several mobile bases to discrete the conventional fixed frame. However, the additional mobile bases introduce more degree-of-freedom (DoF), thereby causing the kinematic redundancy. Moreover, mobile bases are susceptible to disturbances causing inconsistent performance. Hence, path planning of MCDPRs becomes a challenging issue due to various internal and external constraints involved. In this article, an optimization-based path planning method is proposed for MCDPRs in highly constrained environments with considering kinematic stability. The proposed approach quickly generates feasible paths for coupled mobile bases by using the developed multi-agent rapidly exploring random tree (MA-RRT). In this process, the tree can share information through the heuristics method to optimize the path, and the adaptive sampling strategy is thus proposed to increase the tree growth efficiency by self-adjusting sampling space. Moreover, the developed dynamic control checking method (DCC) is integrated with MA-RRT to smooth the path and the kinodynamic constraints of mobile bases can be satisfied. To generate the path of the end-effector, two performance metrics are designed considering the kinematic and stability of the MCDPR. Based on the performance metrics, the grid-based search method is developed to generate the path for the end-effector. Finally, the convincing performance of the proposed method is revealed through the dynamic simulation software (CoppeliaSim) and real-world experiments based on a self-built MCDPR prototype.

Numerical analytical model of metal temperature of steam boiler drum

The problem of developing and identifying a temperature distribution model in the wall of the boiler drum was solved. The numerical model is based on the analytical solution of the one-dimensional heat conduction equation with heat exchange at the boundaries at constant heat transfer coefficients. The model is implemented in a dynamic systems simulation package. Using the bounded series of eigenfunctions of the analytic solution, a representation of the plant in the state space was obtained. A universal algorithm for calculating the eigennumbers of the analytic solution was proposed. The eigenvalues dependences of the analytical solution on the values of heat transfer coefficients and thermal conductivity was investigated. Based on the results of the study, data tables were obtained to approximate the dependences of eigennumbers on heat transfer coefficients in a limited range of variation. The methodology for implementing a dynamic temperature distribution model, which takes into account changes in heat transfer coefficients during simulation, was tested. The time of change of coefficients is perceived as the beginning of a new transient from the current state of the model. Presented structural diagrams of the implementation of the model in dynamic systems simulation packages. The proposed structures allow the introduction of parametric disturbances at the time of their occurrence in the simulation. According to the experimental data of steam boiler firing, identification of the dependence of the heat transfer coefficient on the temperature of the metal wall of the boiler drum was carried out. The results showed that the heat transfer coefficients are influenced not only by the metal temperature, but also by additional parameters of the steam boiler operation. As a result of experiments, it was found that the accuracy of the model can be improved by taking into account the dependence of the heat transfer coefficient on the internal surface of the drum on the flow rate of feed water into the boiler drum. The results of the numerical experiment are presented.

Influence of Rock Layer Thickness on the Penetration Resistance of a Composite Target

To describe the influence of rock thickness on the penetration resistance of rock-concrete composite targets, a three-dimensional model was simulated using the nonlinear dynamic simulation software LS-DYNA. The penetration of four composite targets with rock-concrete thicknesses of 10-20, 20-20 cm, 30-20 and 40-20 cm by a projectile at a target angle of 75 degrees is investigated in this study. A damage cloud diagram of the target plate is obtained, and the curves of penetration speed and overload in the X and Y directions of the projectile with time are analysed. During penetration, the rock and concrete layers tend to restrain each other from destroying the target’s back and surface, and the projectile directly enters the tunnel area of the concrete layer from the tunnel area of the rock layer. When the ratio of rock thickness to shot length is less than 1.5, the attitude of the projectile after penetrating the composite target is relatively stable.

Mapping function model representing the relationship between explosion shock wave pressure and wavefront temperature

The evaluation of ammunition damage power and guidance for ammunition design heavily relies on the shock wave pressure and wavefront temperature produced by an ammunition explosion. However, temperature test results are often inaccurate and unreliable. Therefore, this study utilized Autodyn explicit dynamics simulation software to conduct finite element numerical simulations of explosion shock wave pressure, wavefront temperature propagation, and distribution for trinitrotoluene explosives weighing 10, 20, 50, and 100 kg. The shock wave pressure and wavefront temperature were measured at different measuring points. The cloud maps of wavefront propagation evolution obtained at different explosion times were analyzed to determine the attenuation laws of pressure and temperature propagation in the near field and far field. Based on the similarity law of explosions and the dimensional analysis method, a mapping function model was established to represent the relationship between a shock wave’s peak pressure and peak temperature. The parameters of the model include explosive mass (w), measuring point radius (r), specific heat capacity in the air (c), and the peak pressure of an explosion shock wave (p). The model’s accuracy in calculating the explosion shock wavefront temperature exceeds 89.75%, effectively resolving the issue of low accuracy in the results of explosion field temperature tests and calculations. Therefore, this study provides data and theoretical support for testing and evaluating the damage power of ammunition explosives, and the proposed model has high applicability in the engineering field.

Nano-microscopic analysis on the interaction of new and old asphalt mortar in recycled asphalt mixture

Asphalt and fillers form asphalt mortar, which plays the role of bonding and filling in the asphalt mixture, and has a significant impact on the performance of the asphalt mixture. However, it is very necessary to fully study the interaction between old and new asphalt mortar in recycled asphalt mixture. In this study, molecular dynamics simulation software (Material Studio 8.0) was used to study the interface action of old and new asphalt mortar and the mechanical properties of the mixed old and new asphalt mortar. Quantification and characterization of solubility parameters, interaction energy, and mechanical properties from a microscopic perspective. In order to better demonstrate the simulation results, Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and atomic force microscopy (AFM) were used to conduct microstructural tests to clarify the interaction of old and new asphalt mortar in recycled asphalt mixtures. The results show that at 190 °C, the solubility parameter difference of the old and new asphalt mortar molecular models and the interaction energy are in the best mixing state. At this temperature, the SEM surface morphology characterization is relatively good; the quantitative characterization of the functional groups also shows that the two have a good relationship. the miscible state. The mechanical properties of new and old asphalt mortars are described at the nano and micro scales, and the mechanical properties recover after miscibility. The above results show that it is a comprehensive and reliable method to conduct multi-scale research on the interaction of old and new asphalt mortar in recycled mixtures, and provide new ideas for the research of polymer materials.

Combining experiments and molecular dynamics simulations to investigate the effects of water on the structure and mechanical properties of a coal gangue-based geopolymer

The effects of water on the structure and mechanical properties of a coal gangue-based geopolymer were investigated experimentally and compared with the results of molecular dynamics simulations. The chemical composition and crystalline phases of the raw materials were analyzed via X-ray fluorescence and X-ray diffraction (XRD) after 28 days of curing, and the mechanical properties were tested. Molecular structure models for H2O/Al ratios of 2.5, 3, and 3.5 were established using molecular dynamics simulation software, and structural optimization and molecular dynamics simulations were performed under the universal force field. Based on the obtained results, the energy and temperature change curves, simulated XRD spectrum, radial distribution function, hydrogen bonding, mean squared displacement, and mechanical properties of the amorphous geopolymer were analyzed. The rationality of the molecular model was verified through comparison with the results of the molecular dynamics simulations and experiments, and as the H2O/Al ratio increased within a given range, the energy and temperature stability time of the system are decreased, the area of the dispersion peak is decreased, the amorphous phase is increased, the diffusion degree of Si and Al in the system is decreased, the length of Si-O bond, Al-O bond, H-O bond and O-O bond is shortened, and the structure is more stable. The mechanical properties obtained from the experiment were also improved.

Adapted FLASHCAT methodology to model horizontal cable tray fires using computational fluid dynamics

Nuclear power plants (NPPs) have an extensive network of electrical cables and associated trays to support daily operations. As electrical cables have combustible mass, their presence adds to the fire load in such plants. Thermal stress from cable fires can cause cable failures and spread fire to other redundant cables or other equipment, jeopardizing the safe operation of NPPs. Assessing the heat release rates (HRR) of cable fires is critical for the nuclear industry as HRR regulates the thermal stress in the surrounding of a fire and other fire products that can damage the facility. This paper presents a computational fluid dynamics-based method to model the HRR of such cable fire. The method is partly based on the FLASHCAT model (modified and adapted here) and the surface temperature ignition model of the Fire Dynamics Simulator (FDS) software. The simulation set up with validation objective replicates an experiment of OECD PRISME 3 program in which cables arranged over two horizontal trays are burnt. HRR obtained from the simulation had peak HRR underestimated by 4%, and the time to reach peak HRR overestimated by 5%. The result is encouraging as it provides confidence in using the method outlined in the paper.

A New Segmented Suction Slot Design Based on the Performance of Compressor Cascade

To develop an effective suction slot arrangement, computational fluid dynamics simulation software and a high subsonic compressor cascade were used to simulate different suction slots. Based on the effects of various suction slots on the cascade performance under various operating conditions, a novel segmented suction slot structure Seg3 was proposed. The results of the study revealed that in the vicinity of the operating conditions ( incidence ≤ 4 ° ), a full-blade height suction slot should be installed at least 5% of the chord length downstream of the corner separation point to effectively remove the separation. For small and medium incidences, the best performance was observed for suction slot SS5, which was located at 60% of the chord length downstream of the leading edge. Analyzing the effects of SS5 and Seg3 on the cascade performance revealed that when the incidence was less than 4°, the reductions in the total pressure loss coefficients for ζsuc of SS5 and Seg3 both exceeded 8.2%. When the incidence was 4° or greater, the ζsuc increased slightly for SS5, whereas it decreased for Seg3, and the ζsuc was reduced. For a 3° incidence, for example, Seg3 reduced the ζsuc and passage blockage by 12.74% and 8.41%, respectively, and increased the static pressure rise coefficient by 18.55% from the baseline values. Thus, the segmented suction slot proposed in this paper outperformed conventional full-blade height suction slots.

LuGre or not LuGre

The LuGre model is widely used in the analysis and control of systems with friction. Recently, it has even been made available in the commercial multibody dynamics simulation software system Adams. However, the LuGre model exhibits well-known drawbacks like too low and force rate-dependent break-away forces, drift problems during sticking periods, and significant differences in non-stationary situations between the pre-defined friction law and the one produced by the LuGre model. In the present literature, these problems are supposed to come from the model dynamics or its nonlinear nature. However, most of these drawbacks are not simple side effects of a dynamic friction model but are caused in the LuGre approach, as shown here, by a too simple and inconsistent model of the bristle dynamics. Standard examples and a more practical application demonstrate that the LuGre model is not a “what you see is what you get” approach. A dynamic friction model with accurate bristle dynamics and consistent friction force is set up here. It provides insight into the physical basis of the LuGre model dynamics. However, it results in a nonlinear and implicit differential equation, whose solution will not be easy because of the ambiguity of the friction characteristics. The standard workaround, a static model based on simple regularized characteristics, produces reliable and generally satisfactory results but definitely cannot maintain a stick. The paper presents a second-order dynamic friction model, which may serve as an alternative. It can maintain a stick and produces realistic and reliable results.

Structural implications of SARS-CoV-2 Surface Glycoprotein N501Y mutation within receptor-binding domain [499-505] – computational analysis of the most frequent Asn501 polar uncharged amino acid mutations

The aim of this study was to evaluate the impact of the most frequent Asn501 polar uncharged amino acid mutations upon important structural properties of SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) Surface Glycoprotein RBD – hACE2 (human angiotensin-converting enzyme 2) heterodimer. Mutations N501Y, N501T and N501S were considered and their impact upon complex solubility, secondary motifs formation and intermolecular hydrogen bonding interface was analyzed. Results and findings are reported based on 50 ns run in Gromacs molecular dynamics simulation software. Special attention is paid on the biomechanical shifts in the receptor-binding domain (RBD) [499-505]: ProThrAsn(Tyr)GlyValGlyTyr, having substituted Asparagine to Tyrosine at position 501. The main findings indicate that the N501S mutation increases SARS-CoV-2 S-protein RBD – hACE2 solubility over N501T, N501 (wild type): , . The N501Y mutation shifts -helix S-protein RBD [366-370]: SerValLeuTyrAsn into π-helix for t > 38.5 ns. An S-protein RBD [503-505]: ValGlyTyr shift from -helix into a turn is observed due to the N501Y mutation in t > 33 ns. An empirical proof for the presence of a Y501-binding pocket, based on RBD [499-505]: PTYGVGY ’s RMSF peak formation is presented. There is enhanced electrostatic interaction between Tyr505 (RBD) phenolic -OH group and Glu37 (hACE2) side chain oxygen atoms due to the N501Y mutation. The N501Y mutation shifts the hydrogen bond into permanent polar contact; ; .

Modelling and Numerical Simulation of a Compartment Fire: Flow Rate Behaviour at Opening

The modelling of fire behaviour in a compartment is the subject of this work. A small-scale experimental study was carried out in a compartment sized 0.5 m × 0.5 m × 0.5 m with a single door with a width of 0.2 m and a height of 0.4 m. The collected results were converted to full-scale results using Froude modelling. The objective of this study was to see how ventilation affects fuel decomposition rate, gas flow rate at the opening and the power generated inside the compartment. This small-scale experimental study allowed us to determine four values of the fuel’s (diesel) mass loss rate, which correspond to four values of the ventilation factor. Numerical simulation using Fire Dynamics Simulator (FDS) software was used to show the gas’ behaviour at the opening and the variation of the power generated inside the compartment. The vertical profiles of the experimental and numerical temperatures were compared. It was found that the dimensions of the opening have a significant influence on the power generated inside the compartment.

Abstract 662: A Novel Approach To Understanding Geometric Remodeling Of Surgically Created Arteriovenous Fistulas

Objectives: Failure of arteriovenous fistulas (AVF) for dialysis access remains a persistent problem. The reason for failure is largely unknown. Computational models of AVF have not been validated in parallel with animal experiments. We propose a computational AVF model that predicts venous geometric remodeling. We hypothesize that remodeling may precede AVF failure. Methods: First, we use a validated murine AVF model to define the parameters and boundary conditions for our computational model. Anesthetized mice undergo laparotomy and aortocaval puncture. Ultrasound confirms AVF patency, flow velocities, and vessel geometry throughout the aorta and inferior vena cava (IVC). In vivo CT angiography scans are segmented using 3D software (Simpleware ScanIP) to establish global geometry. We use this geometry to build a simplified geometric model which is then imported into a fluid dynamics simulation (Xflow) and finite element analysis software (Abaqus). Findings: Segmentations of in vivo CT scans establish the global geometry of the AVF (Fig 1a). A fluid dynamics model replicates flow through the fistula (Fig 1b). The model depicts the wall pressure being highest in the artery and around the fistula connection. A computational dynamics model predicts deformation and venous remodeling after pressurization of the system (Fig 1c). Conclusions: This is the first in vivo-computational model of AVF geometry. Our results indicate elevated wall pressure at the level of the fistula leads to venous deformation as hypothesized. These results can be used to predict how the underlying anastomotic geometry may impact anastomotic stress, stenosis, and injury, and may help define anatomic parameters that could optimize AVF durability. Future experiments involving models using the in vivo geometry itself, higher resolution micro CT images, and histologic staining of the vessel wall will provide insight into the deformation mechanisms around these observed areas of remodeling.