936 resultados para vibrational energy level
Resumo:
In the last decades the automotive sector has seen a technological revolution, due mainly to the more restrictive regulation, the newly introduced technologies and, as last, to the poor resources of fossil fuels remaining on Earth. Promising solution in vehicles’ propulsion are represented by alternative architectures and energy sources, for example fuel-cells and pure electric vehicles. The automotive transition to new and green vehicles is passing through the development of hybrid vehicles, that usually combine positive aspects of each technology. To fully exploit the powerful of hybrid vehicles, however, it is important to manage the powertrain’s degrees of freedom in the smartest way possible, otherwise hybridization would be worthless. To this aim, this dissertation is focused on the development of energy management strategies and predictive control functions. Such algorithms have the goal of increasing the powertrain overall efficiency and contextually increasing the driver safety. Such control algorithms have been applied to an axle-split Plug-in Hybrid Electric Vehicle with a complex architecture that allows more than one driving modes, including the pure electric one. The different energy management strategies investigated are mainly three: the vehicle baseline heuristic controller, in the following mentioned as rule-based controller, a sub-optimal controller that can include also predictive functionalities, referred to as Equivalent Consumption Minimization Strategy, and a vehicle global optimum control technique, called Dynamic Programming, also including the high-voltage battery thermal management. During this project, different modelling approaches have been applied to the powertrain, including Hardware-in-the-loop, and diverse powertrain high-level controllers have been developed and implemented, increasing at each step their complexity. It has been proven the potential of using sophisticated powertrain control techniques, and that the gainable benefits in terms of fuel economy are largely influenced by the chose energy management strategy, even considering the powerful vehicle investigated.
Resumo:
The present Thesis reports on the various research projects to which I have contributed during my PhD period, working with several research groups, and whose results have been communicated in a number of scientific publications. The main focus of my research activity was to learn, test, exploit and extend the recently developed vdW-DFT (van der Waals corrected Density Functional Theory) methods for computing the structural, vibrational and electronic properties of ordered molecular crystals from first principles. A secondary, and more recent, research activity has been the analysis with microelectrostatic methods of Molecular Dynamics (MD) simulations of disordered molecular systems. While only very unreliable methods based on empirical models were practically usable until a few years ago, accurate calculations of the crystal energy are now possible, thanks to very fast modern computers and to the excellent performance of the best vdW-DFT methods. Accurate energies are particularly important for describing organic molecular solids, since they often exhibit several alternative crystal structures (polymorphs), with very different packing arrangements but very small energy differences. Standard DFT methods do not describe the long-range electron correlations which give rise to the vdW interactions. Although weak, these interactions are extremely sensitive to the packing arrangement, and neglecting them used to be a problem. The calculations of reliable crystal structures and vibrational frequencies has been made possible only recently, thanks to development of some good representations of the vdW contribution to the energy (known as “vdW corrections”).
Resumo:
Organic Light-Emitting Diodes (OLEDs) technology has matured over recent years, reaching the commercialization level and being used in various applications. The required efficiency can be achieved by transforming triplet excitons into singlet states via Reverse InterSystem Crossing (RISC), which a general mechanism called thermally activated delayed fluorescence (TADF). Two prototypical molecules in the field, 2CzBN and 4CzBN, Carbazole Benzonitrile (donor-acceptor) derivatives, possess similar energy gap between singlet and triplet (∆EST, a key parameter in the RISC rate), but different TADF performance. In this sense, other parameter must be considered to explain these different behaviors. In this work, we theoretically investigate 2CzBN and 4CzBN and address the problem of how flexible donor-acceptor (D-A) or donor-acceptor-donor (D-A-D) molecular architectures affect the nature of excited state, and the oscillator strength. Furthermore, we analyze the RISC rates as a function of the conformation of the carbazole side groups, considering the S0, S1, T1 and T2 states. The oscillator strength of 4CzBN is higher than of 2CzBN, which, in turn, is almost vanishing, resulting in only 4CzBN being a TADF active molecule. We also note the presence of a second triplet state T2 lower in energy than S1, and that the reorganization energies, associated to the RISC processes involving T1 and T2, are both important factor in differentiating the rates in 2CzBN and 4CzBN. However, the 4CzBN RISC rate from T2 to S1 is surprisingly high with respect to the one from T1 to S1, although, according to EL-Sayed rules, since T2 (CT/LE) is more similar to S1 (CT) than in 2CzBN (LE, CT), this transition should be less favored. These insights are important to understand the photophysics of the TADF process and to design novel TADF emitters based on the benzo-carbazole architecture.
Resumo:
Cyanoacetylene HC3N is a molecule of great astronomical importance and it has been observed in many interstellar environments. Its deuterated form DC3N has been detected in number of sources from external galaxies to Galactic interstellar clouds, star-forming regions and planetary atmospheres. All these detections relied on previous laboratory investigations, which however still lack some essential information concerning its infrared spectrum. In this project, high-resolution ro-vibrational spectra of DC3N have been recorded in two energy regions: 150 – 450 cm-1 and 1800 – 2800 cm-1. In the first window the ν7← GS, 2ν7 ← ν7, ν5 ← ν7, ν5+ν7 ← 2ν7, ν6+ν7 → 2v7, 4ν7 ← 2ν7 bands have been assigned, while in the second region the three stretching fundamental bands ν1, ν2, ν3 have been observed and analysed. The 150 – 450 cm-1 region spectra have been recorded at the AILES beamline at the SOLEIL synchrotron (France), the 1800 – 2800 cm-1 spectra at the Department of Industrial Chemistry “Toso Montanari” in Bologna. In total, 2299 transitions have been assigned. Such experimental transition, together with data previously recorded for DC3N, were included in a least-squares fitting procedure from which several spectroscopic parameters have been determined with high precision and accuracy. They include rotational, vibrational and resonance constants. The spectroscopic data of DC3N have been included in a line catalog for this molecule in order to assist future astronomical observations and data interpretation. A paper which includes this research work has been published (M. Melosso, L. Bizzocchi, A. Adamczyk, E. Cane, P. Caselli, L. Colzid, L. Dorea, B. M. Giulianob, J.-C. Guillemine, M-A. Martin-Drumel, O. Piralif, A. Pietropolli Charmet , D. Prudenzano, V. M. Rivillad, F. Tamassia, Extensive ro-vibrational analysis of deuterated-cyanoacetylene (DC3N) from millimeter wavelengths to the infrared domain, Jour. of Quant. Spectr. and Rad. Tran. 254, 107221, 2020).
Resumo:
High Energy efficiency and high performance are the key regiments for Internet of Things (IoT) end-nodes. Exploiting cluster of multiple programmable processors has recently emerged as a suitable solution to address this challenge. However, one of the main bottlenecks for multi-core architectures is the instruction cache. While private caches fall into data replication and wasting area, fully shared caches lack scalability and form a bottleneck for the operating frequency. Hence we propose a hybrid solution where a larger shared cache (L1.5) is shared by multiple cores connected through a low-latency interconnect to small private caches (L1). However, it is still limited by large capacity miss with a small L1. Thus, we propose a sequential prefetch from L1 to L1.5 to improve the performance with little area overhead. Moreover, to cut the critical path for better timing, we optimized the core instruction fetch stage with non-blocking transfer by adopting a 4 x 32-bit ring buffer FIFO and adding a pipeline for the conditional branch. We present a detailed comparison of different instruction cache architectures' performance and energy efficiency recently proposed for Parallel Ultra-Low-Power clusters. On average, when executing a set of real-life IoT applications, our two-level cache improves the performance by up to 20% and loses 7% energy efficiency with respect to the private cache. Compared to a shared cache system, it improves performance by up to 17% and keeps the same energy efficiency. In the end, up to 20% timing (maximum frequency) improvement and software control enable the two-level instruction cache with prefetch adapt to various battery-powered usage cases to balance high performance and energy efficiency.
Resumo:
The presented Thesis describes the design of RF-energy harvesting systems with applications on different environments, from the biomedical side to the industrial one, tackling the common thread problem which is the design of complete energy autonomous tags each of them with its dedicated purpose. This Thesis gathers a work of three years in the field of energy harvesting system design, a combination of full-wave electromagnetic designs to optimize not only the antenna performance but also to fulfill the requirements given by each case study such as dimensions, insensitivity from the surrounding environment, flexibility and compliance with regulations. The research activity has been based on the development of highly-demanded ideas and real-case necessities which are in line with the environment in which modern IoT applications can really make a positive contribution. The Thesis is organized as follows: the first application, described in Chapter 2, regards the design and experimental validations of a rotation-insensitive WPT system for implantable devices. Chapter 3 presents the design of a wearable energy autonomous detector to identify the presence of ethanol on the body surface. Chapter 4 describes investigations in the use of Bessel Beam launchers for creating a highly-focused energy harvesting link for wearable applications. Reduced dimensions, high focusing and decoupling from the human body are the key points to be addressed during the full-wave design and nonlinear optimization of the receiver antenna. Finally, Chapter 5 presents an energy autonomous system exploiting LoRa (Long Range) nodes for tracking trailers in industrial plants. The novelty behind this design lies on the aim of obtaining a perfectly scalable system that exploits not only EH basic operating system but embeds a seamless solution for collecting a certain amount of power that varies with respect the received power level on the antenna, without the need of additional off-the-shelf components.
Resumo:
The aim of this thesis is to present exact and heuristic algorithms for the integrated planning of multi-energy systems. The idea is to disaggregate the energy system, starting first with its core the Central Energy System, and then to proceed towards the Decentral part. Therefore, a mathematical model for the generation expansion operations to optimize the performance of a Central Energy System system is first proposed. To ensure that the proposed generation operations are compatible with the network, some extensions of the existing network are considered as well. All these decisions are evaluated both from an economic viewpoint and from an environmental perspective, as specific constraints related to greenhouse gases emissions are imposed in the formulation. Then, the thesis presents an optimization model for solar organic Rankine cycle in the context of transactive energy trading. In this study, the impact that this technology can have on the peer-to-peer trading application in renewable based community microgrids is inspected. Here the consumer becomes a prosumer and engages actively in virtual trading with other prosumers at the distribution system level. Moreover, there is an investigation of how different technological parameters of the solar Organic Rankine Cycle may affect the final solution. Finally, the thesis introduces a tactical optimization model for the maintenance operations’ scheduling phase of a Combined Heat and Power plant. Specifically, two types of cleaning operations are considered, i.e., online cleaning and offline cleaning. Furthermore, a piecewise linear representation of the electric efficiency variation curve is included. Given the challenge of solving the tactical management model, a heuristic algorithm is proposed. The heuristic works by solving the daily operational production scheduling problem, based on the final consumer’s demand and on the electricity prices. The aggregate information from the operational problem is used to derive maintenance decisions at a tactical level.
Resumo:
Within this master thesis, various aspects related to the issue of sustainability in the food sector were addressed, focusing on the greenhouse gas emissions derived from livestock production. The increment in population number and wealth is directly related to the growing demand for meat products, which is, in turn, related to an increase in greenhouse gas emissions. Consumers are becoming more and more aware of these environmental issues and, therefore, sustainability factors are becoming even more relevant also from the environmental point of view. A very useful tool in this field is Response-Inducing Sustainability Evaluation (RISE), a software that allows you to determine the sustainability of a farm under many aspects, like energy consumption, livestock management and soil use. The RISE software processes the information obtained through a questionnaire submitted by the farmer, in which 10 different areas of sustainability in the farm are covered. For each theme, the results are expressed clearly with a score that goes from 0 to 100. The experimentation discussed in this work included two different projects, one regarding a dairy farm and the other regarding a poultry farm. The first one was conducted on a dairy farm in Germany and the results allowed to highlight the weakest areas of the farm on which recommendations were given for ecological improvement. The second project was conducted on a chicken broiler farm in Italy, on an experimental basis since it was the first time that the software was applied to poultry. The results pointed out the aspects that can be improved in the RISE software in order to make it more suitable for future poultry studies.
Resumo:
Modern High-Performance Computing HPC systems are gradually increasing in size and complexity due to the correspondent demand of larger simulations requiring more complicated tasks and higher accuracy. However, as side effects of the Dennard’s scaling approaching its ultimate power limit, the efficiency of software plays also an important role in increasing the overall performance of a computation. Tools to measure application performance in these increasingly complex environments provide insights into the intricate ways in which software and hardware interact. The monitoring of the power consumption in order to save energy is possible through processors interfaces like Intel Running Average Power Limit RAPL. Given the low level of these interfaces, they are often paired with an application-level tool like Performance Application Programming Interface PAPI. Since several problems in many heterogeneous fields can be represented as a complex linear system, an optimized and scalable linear system solver algorithm can decrease significantly the time spent to compute its resolution. One of the most widely used algorithms deployed for the resolution of large simulation is the Gaussian Elimination, which has its most popular implementation for HPC systems in the Scalable Linear Algebra PACKage ScaLAPACK library. However, another relevant algorithm, which is increasing in popularity in the academic field, is the Inhibition Method. This thesis compares the energy consumption of the Inhibition Method and Gaussian Elimination from ScaLAPACK to profile their execution during the resolution of linear systems above the HPC architecture offered by CINECA. Moreover, it also collates the energy and power values for different ranks, nodes, and sockets configurations. The monitoring tools employed to track the energy consumption of these algorithms are PAPI and RAPL, that will be integrated with the parallel execution of the algorithms managed with the Message Passing Interface MPI.
Resumo:
The Internet of Things (IoT) is a critical pillar in the digital transformation because it enables interaction with the physical world through remote sensing and actuation. Owing to the advancements in wireless technology, we now have the opportunity of using their features to the best of our abilities and improve over the current situation. Indeed, the Internet of Things market is expanding at an exponential rate, with devices such as alarms and detectors, smart metres, trackers, and wearables being used on a global scale for automotive and agriculture, environment monitoring, infrastructure surveillance and management, healthcare, energy and utilities, logistics, good tracking, and so on. The Third Generation Partnership Project (3GPP) acknowledged the importance of IoT by introducing new features to support it. In particular, in Rel.13, the 3GPP introduced the so-called IoT to support Low Power Wide Area Networks (LPWAN).As these devices will be distributed in areas where terrestrial networks are not feasible or commercially viable, satellite networks will play a complementary role due to their ability to provide global connectivity via their large footprint size and short service deployment time. In this context, the goal of this thesis is to investigate the viability of integrating IoT technology with satellite communication (SatCom) systems, with a focus on the Random Access(RA) Procedure. Indeed, the RA is the most critical procedure because it allows the UE to achieve uplink synchronisation, obtain the permanent ID, and obtain uplink transmission resources. The goal of this thesis is to evaluate preamble detection in the SatCom environment.
Resumo:
Rapidity-odd directed flow (v1) measurements for charged pions, protons, and antiprotons near midrapidity (y=0) are reported in sNN=7.7, 11.5, 19.6, 27, 39, 62.4, and 200 GeV Au+Au collisions as recorded by the STAR detector at the Relativistic Heavy Ion Collider. At intermediate impact parameters, the proton and net-proton slope parameter dv1/dy|y=0 shows a minimum between 11.5 and 19.6 GeV. In addition, the net-proton dv1/dy|y=0 changes sign twice between 7.7 and 39 GeV. The proton and net-proton results qualitatively resemble predictions of a hydrodynamic model with a first-order phase transition from hadronic matter to deconfined matter, and differ from hadronic transport calculations.
Resumo:
The control of energy homeostasis relies on robust neuronal circuits that regulate food intake and energy expenditure. Although the physiology of these circuits is well understood, the molecular and cellular response of this program to chronic diseases is still largely unclear. Hypothalamic inflammation has emerged as a major driver of energy homeostasis dysfunction in both obesity and anorexia. Importantly, this inflammation disrupts the action of metabolic signals promoting anabolism or supporting catabolism. In this review, we address the evidence that favors hypothalamic inflammation as a factor that resets energy homeostasis in pathological states.
Resumo:
The metabolic enzyme fatty acid synthase (FASN) is responsible for the endogenous synthesis of palmitate, a saturated long-chain fatty acid. In contrast to most normal tissues, a variety of human cancers overexpress FASN. One such cancer is cutaneous melanoma, in which the level of FASN expression is associated with tumor invasion and poor prognosis. We previously reported that two FASN inhibitors, cerulenin and orlistat, induce apoptosis in B16-F10 mouse melanoma cells via the intrinsic apoptosis pathway. Here, we investigated the effects of these inhibitors on non-tumorigenic melan-a cells. Cerulenin and orlistat treatments were found to induce apoptosis and decrease cell proliferation, in addition to inducing the release of mitochondrial cytochrome c and activating caspases-9 and -3. Transfection with FASN siRNA did not result in apoptosis. Mass spectrometry analysis demonstrated that treatment with the FASN inhibitors did not alter either the mitochondrial free fatty acid content or composition. This result suggests that cerulenin- and orlistat-induced apoptosis events are independent of FASN inhibition. Analysis of the energy-linked functions of melan-a mitochondria demonstrated the inhibition of respiration, followed by a significant decrease in mitochondrial membrane potential (ΔΨm) and the stimulation of superoxide anion generation. The inhibition of NADH-linked substrate oxidation was approximately 40% and 61% for cerulenin and orlistat treatments, respectively, and the inhibition of succinate oxidation was approximately 46% and 52%, respectively. In contrast, no significant inhibition occurred when respiration was supported by the complex IV substrate N,N,N',N'-tetramethyl-p-phenylenediamine (TMPD). The protection conferred by the free radical scavenger N-acetyl-cysteine indicates that the FASN inhibitors induced apoptosis through an oxidative stress-associated mechanism. In combination, the present results demonstrate that cerulenin and orlistat induce apoptosis in non-tumorigenic cells via mitochondrial dysfunction, independent of FASN inhibition.
Resumo:
Lower levels of cytosine methylation have been found in the liver cell DNA from non-obese diabetic (NOD) mice under hyperglycemic conditions. Because the Fourier transform-infrared (FT-IR) profiles of dry DNA samples are differently affected by DNA base composition, single-stranded form and histone binding, it is expected that the methylation status in the DNA could also affect its FT-IR profile. The DNA FT-IR signatures obtained from the liver cell nuclei of hyperglycemic and normoglycemic NOD mice of the same age were compared. Dried DNA samples were examined in an IR microspectroscope equipped with an all-reflecting objective (ARO) and adequate software. Changes in DNA cytosine methylation levels induced by hyperglycemia in mouse liver cells produced changes in the respective DNA FT-IR profiles, revealing modifications to the vibrational intensities and frequencies of several chemical markers, including νas -CH3 stretching vibrations in the 5-methylcytosine methyl group. A smaller band area reflecting lower energy absorbed in the DNA was found in the hyperglycemic mice and assumed to be related to the lower levels of -CH3 groups. Other spectral differences were found at 1700-1500 cm(-1) and in the fingerprint region, and a slight change in the DNA conformation at the lower DNA methylation levels was suggested for the hyperglycemic mice. The changes that affect cytosine methylation levels certainly affect the DNA-protein interactions and, consequently, gene expression in liver cells from the hyperglycemic NOD mice.
Resumo:
Local parity-odd domains are theorized to form inside a quark-gluon plasma which has been produced in high-energy heavy-ion collisions. The local parity-odd domains manifest themselves as charge separation along the magnetic field axis via the chiral magnetic effect. The experimental observation of charge separation has previously been reported for heavy-ion collisions at the top RHIC energies. In this Letter, we present the results of the beam-energy dependence of the charge correlations in Au+Au collisions at midrapidity for center-of-mass energies of 7.7, 11.5, 19.6, 27, 39, and 62.4 GeV from the STAR experiment. After background subtraction, the signal gradually reduces with decreased beam energy and tends to vanish by 7.7 GeV. This implies the dominance of hadronic interactions over partonic ones at lower collision energies.