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"molecular dynamics"×

Lignin Forcefield Source Datafiles

Three archives are provided here comprising the development of a CHARMM36-compatible lignin forcefield suitable for use in biomolecular simulations. One archive parameters.zip contains the output topology and parameter files in CHARMM format suitable for use in constructing simula...
Crowley, . et al National Renewable Energy Laboratory
Apr 30, 2018
4 Resources
0 Stars
Publicly accessible

Financial Summary, Nanofiltration Data, and Lithium Uptake Data

Integrated testing of nanofiltration and lithium uptake subsystems using synthetic geothermal brine. Also includes a financial summary (Pro Forma) of the proposed 'Geothermal Thermoelectric Generation (G-TEG) with Integrated Temperature Driven Membrane Distillation and Novel Manga...
Renew, J. Southern Research Institute
Dec 05, 2016
4 Resources
0 Stars
Publicly accessible

Model and experimental validation of ocean kite dynamics and controls

This submission includes two peer-reviewed papers from researchers at North Carolina State University presenting the modeling and lab-scale experimentation of the dynamics and control of a tethered tidal ocean kite. Below are the abstracts of each file included in the submission. ...
Vermillion, C. et al North Carolina State University
Mar 01, 2020
2 Resources
0 Stars
Publicly accessible

Advanced WEC Dynamics and Controls, Test 1

Numerous studies have shown that advanced control of a wave energy converter's (WEC's) power take off (PTO) can provide significant increases (on the order of 200-300%) in WEC energy absorption. Transitioning these control approaches from simplified paper studies to application in...
Coe, R. Sandia National Laboratories
Feb 26, 2016
3 Resources
0 Stars
Publicly accessible

Retrospective Analysis of Geothermal Mineral Recovery and Domestic Resource Assessment References

This reference database in RIS format contains all of the references that were collected as part of our retrospective analysis of geothermal mineral recovery (REE and Li) activities and domestic resource assessment. The outputs detail the chemistry and molecular processes used in ...
Dobson, P. and Stringfellow, W. Lawrence Berkeley National Laboratory
Oct 20, 2021
4 Resources
0 Stars
Publicly accessible

MASK3 for Advanced WEC Dynamics and Controls

This report outlines the "MASK3" wave tank test within the Advanced WEC Dynamics and Controls (AWDC) project. This test represents the final test in the AWDC project. The focus of the MASK3 test was to consider coordinated 3-degree-of-freedom (3DOF) control of a WEC in a realistic...
Coe, R. et al Sandia National Laboratories
May 01, 2019
4 Resources
0 Stars
Publicly accessible

Computational Fluid Dynamics Simulation of Oscylator cylinders

This is one of the computational fluid dynamics (CFD) simulations. The parameters for the test are in the info.txt file.
Taipale, J. Vortex Hydro Energy
Feb 07, 2017
6 Resources
0 Stars
Publicly accessible

S-Layer Nanosheet Binding of Zn and Gd

This data characterizes binding of Zn2+ and Gd3+ to engineered nanosheets at 40C and in a brine solution. The engineered nanosheets are composed of surface-layer (S-layer) proteins which form 2 D crystalline sheets and display Zn2+ or Gd3+-binding domains on these sheets. Their ab...
Ajo-Franklin, C. et al Lawrence Berkeley National Laboratory
Apr 15, 2016
2 Resources
0 Stars
Publicly accessible

Simulation Tools for Modeling Thermal Spallation Drilling on Multiple Scales

Widespread adoption of geothermal energy will require access to deeply buried resources in granitic basement rocks at high temperatures and pressures. Exploiting these resources necessitates novel methods for drilling, stimulation, and maintenance, under operating conditions that ...
Walsh, S. et al Lawrence Livermore National Laboratory
Jan 01, 2012
1 Resources
0 Stars
Publicly accessible

Pacific Marine Energy Center Laser Doppler Velocimetry Commissioning

First commissioning data for the new laser doppler velocimetry (LDV) system that will be used at the Tyler Flume at the University of Washington. The LDV system can measure three components of velocity at a point. For this dataset the three components were operated in non-coincide...
Williams, O. University of Washington (NNMREC)
Mar 01, 2022
1 Resources
0 Stars
Publicly accessible

Performance estimation of resonance-enhanced dual-buoy wave energy converter using coupled time-domain simulation

This paper presents the modeling methodology and performance evaluation of the resonance-enhanced dual-buoy WEC (Wave Energy Converter) by HEM (hydrodynamic & electro-magnetic) fully-coupled-dynamics time-domain-simulation program. The numerical results are systematically compared...
Kang, H. et al Texas A&M University
Aug 31, 2020
3 Resources
0 Stars
Publicly accessible

TEAMER: Original HANNA Mono-Radial Turbine Post Access Report

Final report on a TEAMER RFTS 2 (request for technical support) study undertaken by Alden Research Laboratory for the Mono-radial turbine invented by John Clark Hanna DBA: Hanna Wave Energy Primary Drives. The study is a predictive numerical and CFD (computational fluid dynamics) ...
Hanna, J. Hanna Wave Energy Primary Drives
Mar 10, 2022
1 Resources
0 Stars
Publicly accessible

Analogue Experimental Observations of Fluid-Filled Fracture Dynamics for Geological System

Bubble cavitation in fluid filled fractures and bubble gas at the fracture tip open fractures with different fracture tips.
Cao, H. National Renewable Energy Laboratory
Feb 05, 2020
1 Resources
0 Stars
In curation

Additional Data Focused on Phase 1 Geared Toward Computational Fluid Dynamics (CFD) validation

**Overview** A new validation campaign was developed within the Offshore Code Comparison Collaboration, Continued, with Correlation and unCertainty (OC6) to better understand the complex interactions between components of a floating wind system (e.g., columns, pontoons, etc.) in ...
Robertson, A. Wind Energy Technologies Office (WETO)
Apr 08, 2021
1 Resources
0 Stars
Publicly accessible

FOSWEC v2: System identification and control testing at Hinsdale Wave Research Laboratory

This report summarizes the design and execution of a wave tank test of the floating oscillating surge wave energy converter (FOSWEC) in the O.H. Hinsdale Wave Research Laboratory Directional Wave Basin at Oregon State University. This device, which uses two "flaps" that pivot abou...
Coe, R. et al Sandia National Laboratories
Feb 01, 2020
2 Resources
0 Stars
Publicly accessible

ALFA Coupled Computational Fluid Dynamics/Discrete Element Method Modeling System

The HDIS/COUPi discrete element method modeling system was used to simulate the interaction between various debris and the Research Debris Diversion Platform (RDDP)
DUVOY, P. University of Alaska Fairbanks
Nov 29, 2016
11 Resources
0 Stars
Publicly accessible

Most Likely Extreme Response Analysis of an Ellipsoid Float Wave Energy Converter

Input data and heave results (unsteady RANS-VOF overset simulations performed in Star-CCM+) for a float with an ellipsoid geometry. Five extreme sea states were considered, as detailed in the conference paper "Application of the Most Likely Extreme Response Method for Wave Energy ...
Quon, E. National Renewable Energy Laboratory
Jun 17, 2016
7 Resources
0 Stars
Publicly accessible

Moisture Risk in Unvented Attics Due to Air Leakage Paths Minneapolis Minnesota

IBACOS completed an initial analysis of moisture damage potential in an unvented attic insulated with closed-cell spray polyurethane foam. To complete this analysis, the research team collected field data, used computational fluid dynamics to quantify the airflow rates through ind...
Rapport, A. et al Ibacos Innovation
Apr 27, 2016
6 Resources
0 Stars
Publicly accessible

INTEGRATE Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements

The INTEGRATE (Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements) project is developing a new inverse-design capability for the aerodynamic design of wind turbine rotors using invertible neural networks. This AI-based design techno...
Vijayakumar, G. et al National Renewable Energy Laboratory (NREL)
May 04, 2021
8 Resources
0 Stars
Publicly accessible

Brady 1D Seismic Velocity Model Ambient Noise Prelim

Preliminary 1D seismic velocity model derived from ambient noise correlation. 28 Green's functions filtered between 4-10 Hz for Vp, Vs, and Qs were calculated. 1D model estimated for each path. The final model is a median of the individual models. Resolution is best for the top 1 ...
J., R. Lawrence Livermore National Laboratory
Oct 25, 2013
1 Resources
0 Stars
Publicly accessible

Airfoil Computational Fluid Dynamics 9k shapes, 2 AoA's

This dataset contains aerodynamic quantities including flow field values (momentum, energy, and vorticity) and summary values (coefficients of lift, drag, and momentum) for 8,996 airfoil shapes, computed using the HAM2D CFD (computational fluid dynamics) model. The airfoil shapes ...
Ramos, D. et al National Renewable Energy Laboratory (NREL)
Feb 10, 2023
3 Resources
0 Stars
Publicly accessible

Airfoil Computational Fluid Dynamics 2k shapes, 25 AoA's, 3 Re numbers

This dataset contains aerodynamic quantities including flow field values (momentum, energy, and vorticity) and summary values (coefficients of lift, drag, and momentum) for 1,830 airfoil shapes computed using the HAM2D CFD (computational fluid dynamics) model. The airfoil shapes w...
Ramos, D. et al National Renewable Energy Laboratory (NREL)
Feb 10, 2023
3 Resources
0 Stars
Publicly accessible

ANL WRF-LES Convective TTU

**Overview** This dataset includes large-eddy simulation (LES) output from a convective atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on July 4, 2012. The dataset was used to assess the LES models for simulation of canonical co...
Kosovic, B. Wind Energy Technologies Office (WETO)
Jul 03, 2012
1 Resources
0 Stars
Publicly accessible

ANL WRF-LES Neutral TTU

**Overview** This dataset includes large-eddy simulation (LES) output from a neutrally stratified atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on Aug. 17, 2012. The dataset was used to assess LES models for simulation of canon...
Kosovic, B. Wind Energy Technologies Office (WETO)
Aug 16, 2012
1 Resources
0 Stars
Publicly accessible

LANL Convective TTU

**Overview** This dataset includes large-eddy simulation (LES) output from a convective atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on July 4, 2012. The dataset was used to assess the LES models for simulation of canonical co...
Kosovic, B. Wind Energy Technologies Office (WETO)
Jul 03, 2012
1 Resources
0 Stars
Publicly accessible
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