Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 24 for “"Energy simulations"”.
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FEARCF: Graph-based software library for multidimensional free energy simulations
… thesis presents the efforts to adapt the Free Energy from Adaptive Reaction Coordinate Forces (FEARCF) method into the form of a software library, enabling it to be interfaced with other molecular dynamics (MD) software packages. There exist many methods to calculate the free energy of …
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Assessing methods for predicting retrofit energy savings in buildings : case study of a Norwegian school
… investigates methods for predicting retrofit energy savings in existing Norwegian buildings. A case study is performed on a 30 year old primary school in Trondheim, Norway. The energy consumption in the school is simulated with the EnergyPlus computer software and calibrated against measured …
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Advances in the operating condition design analysis of air based photovoltaic thermal solar roof systems
… electricity generating PV cells and active solar energy to supplement the electricity and heating loads of buildings and potentially reduce energy consumption. There has been a significant amount of research on these systems over the past 30 years in which many researchers have investigated the …
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ATAC : A 1000-core cache coherent processor with on-chip optical network
… and scalability. Based on 64-core and 1024-core simulations with Graphite [20] using Splash2, Parsec, and synthetic benchmarks, we show that ATAC with ACKwise out-performs a chip with conventional interconnect and cache coherence protocols. On 1024-core evaluations, ACKwise protocol on ATAC …
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Computational studies of the self-cleavage mechanism in the glmS ribozyme
… mechanical (QM/MM) calculations, and free energy simulations were employed to study the cleavage mechanisms and explain experimental observations such as the thio effects and metal ion rescue effects. A concerted yet asynchronous cleavage mechanism with an active site guanine as the general …
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Modelling on-domestic buildings energy performance using machine learning methods, a case study of the UK
… has setregulations to decrease the amount of energy take-up by buildings. It is apparent from the seminal literature that deep energy retrofit is the primary solution to achieve that goal. Due to the size and complexity of non-domestic buildings, finding optimum plans is cumbersome. To that …
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COMPUTATIONAL APPROACHES FOR PROTEIN FOLDING AND LIGAND BINDING: FROM THERMODYNAMICS TO KINETICS
… predictions of these mechanisms, molecular simulations must be able to estimate the binding affinity and rates of association and dissociation of a protein-ligand complex, or the populations and rates of exchange between distinct conformational states (i.e. folding and unfolding, binding and …
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Urban weather generator user interface development : towards a usable tool for integrating urban heat island effect within urban design process
… and land use to assist the development of energy-efficient cities that are also thermally comfortable. The software enables urban designers to parametrically test built densities for masterplanning and urban planners to advocate zoning regulations such as building height and land use as …
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Study and prediction of the energy interactions between buildings and the urban climate
… cities around the world. Conventional building energy programs use standard meteorological databases obtained from measurements at operational weather stations, which are usually located in open areas outside of the city, typically at the airport. Therefore, air temperature measurements may not …
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Energy use in multi-family dwellings : measurements and methods of analysis
… ecological and sustainability focus. Regarding energy use, all buildings were restricted to use no more than 105 kWh/m² annually including space heating, domestic hot water heating, common electricity and household electricity. Different building techniques and technical systems were used at the …
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Improving the use of commercial building HVAC systems for electric grid ancillary services
… dynamic modeling, model predictive control, and energy storage scaling techniques. First, a model of a representative VAV system is built using Modelica and simulated to characterize the system's performance while providing reserve and regulation ancillary services. It is found that reserves are …
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Competition Between Different Non-Covalent Interactions in Cluster Ions
… the effect of the ion on the H2O. Internal energy simulations and temperatures deduced from the spectra showed that cluster ions with argon are much colder than those without argon. In a similar manner, ion-alkane interactions were investigated in M+(CH4)Ar species. The ion-methane …
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System analysis of a PV/T hybrid solar window
… Following this, long term measurements on the energy output from the solar window were performed. A model for simulation of the electric and hot water production was developed and calibrated against the measured values. The model can perform yearly energy simulations where different features …
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Constraining Metamorphic and Tectonic Evolution in Convergent Terranes: How Trace Elements and Mineral Inclusions Shape Mechanical and Reconstructive Models
… dynamic recrystallization. We applied defect energy simulations and took a global assessment of deformed quartz trace element chemistries to infer that sweeping grain boundaries provide short pathways that allows localized re-equilibration with a Ti-undersaturated medium, resulting in Ti …
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Computational studies of the structure, dynamics, and catalysis of the hepatitis delta virus ribozyme
… approaches. Classical molecular dynamics (MD) simulations and non-linear Poisson-Boltzmann (NLPB) calculations were utilized to study the metal binding characteristics of the reverse G•U wobble close to the active site of the ribozyme. These studies revealed that the reverse wobble creates a …
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Thermal Comfort and Building Design Strategies for Low Energy Houses in Libya: Lessons from the vernacular architecture
… comfort requirements. The reduction of the energy demand for heating and cooling is the key factor in the low energy houses and minimizing environmental damage caused by the emissions of carbon dioxide. In this thesis the traditional vernacular houses in Libya have been used as a vehicle of …
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Design for safety and energy efficiency of electrical power systems in ships
… the need for the ship and passengers safety, energy efficiency and environmental pollution to be considered as dominant issues within shipping industry and academia. Recently introduced safety regulations, known as Safe-Return-to-Port, and 'green' regulations, by the IMO, came into force to …
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An integrated system of vapor-compression chiller and absorption heat pump: Experiment, modeling, and energy and economic evaluation
<p>Buildings currently consume 41% of the primary energy in the United States. Among the 41% primary energy, approximate 50% are used for building heating, cooling, and water heating. Improving the efficiencies of the devices for building heating and cooling has potentials to reducing the energy …
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The design and development of GPU accelerated algorithms for ab initio integrals and integral derivatives illustrated on ab initio quantum and hybrid QM/MM dynamics
… Library (QSL) to perform the above calculations/simulations. In contrast to GPU packages developed from the ground up, the QSL is a library of routines aimed at accelerating legacy codes, such as GAMESS-UK, GAMESS-US and NWChem, used in electronic structure calculations. Algorithms are presented …
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Modeling on single-sided wind-driven natural ventilation
<p>Buildings use 40% of the total primary energy in the United States, with a significant part of this energy being used for ventilation and cooling. Despite the large amount of energy used in buildings, reports have shown that the indoor air quality (IAQ) and thermal comfort are not satisfactory. …
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