Publications

It is well known that ferrous materials can be damaged by absorption of hydrogen. If a sufficient quantity of hydrogen penetrates into the material static fracture and the material's fatigue performances can be affected negatively in particular causing an increase in the material crack growth rates. The latter is often referred as Hydrogen Affected-Fatigue Crack Growth Rate (HA-FCGR). It is therefore of paramount importance to quantify the impact in terms of hydrogen induce fatigue crack growth acceleration in order to determine the life of components exposed to hydrogen and avoid unexpected catastrophic failures. In this study in-situ fatigue crack growth rate testing on Compact Tension (CT) specimens were carried out to determine the fatigue crack growth behaviour for a Fe-3 wt%Si alloy and X70 pipeline steel. Tests were carried out in two environmental conditions i.e. laboratory air and in-situ electrochemically charged hydrogen and different mechanical conditions in terms of load ratio (R = 0.1 and R = 0.5 for the Fe-3 wt%Si R = 0.1 for the X70 steel) and test frequency (f = 0.1 Hz 1 Hz and 10 Hz) were adopted under electrochemically charged hydrogen conditions. The results show a clear detrimental effect of H for the specimens tested in hydrogen when compared to the specimens tested in air for both materials and that the impact of hydrogen is test frequency-dependent: the hydrogen induced acceleration is more prominent as the frequency is decreased. Post-mortem surface investigations consistently relate the global crack growth acceleration to a shift from transgranular to Quasi-cleavage fracture mechanism. Despite such consistency the acceleration factor strongly depends on the material: Fe-3wt%Si features acceleration up to 1000 times while X70 accelerates up to 76 times when compare to the material fatigue crack growth rate recorded in air. Observation of the deformation activities in the crack wake in relation to the transition into hydrogen accelerated regime in fatigue crack growth show a tendency toward restricted plastic activity in presence of hydrogen.

The valorization of biomass-based solid wastes for both geotechnical engineering purposes and energy needs has been reviewed to achieve eco-friendly eco-efficient and sustainable engineering and reengineering of civil engineering materials and structures. The objective of this work was to review the procedure developed by SWI-NaOH-OCE Model for the valorization of biomass through controlled direct combustion and the sequestration of hydrogen gas for energy needs. The incineration model gave a lead to the sequestration of emissions released during the direct combustion of biomass and the subsequent entrapment of oxides of carbon and the eventual release of abundant hydrogen gas in the entrapment jar. The generation of geomaterials ash for the purpose of soil stabilization concrete and asphalt modification has encouraged greenhouse emissions but eventually the technology that has been put in place has made it possible to manage and extract these emissions for energy needs. The contribution from researchers has shown that hydrogen sequestration from other sources requires high amount of energy because of the lower energy states of the compounds undergoing thermal decomposition. But this work has presented a more efficient approach to release hydrogen gas which can easily be extracted and stored to meet the energy needs of the future as fuel cell batteries to power vehicles mobile devices robotic systems etc. More so the development of MXene as an exfoliated two-dimensional nanosheets with permeability and filtration selectivity properties which are connected to its chemical composition and structure used in hydrogen gas extraction and separation from its molecular combination has presented an efficient procedure for the production and management of hydrogen gas for energy purposes.

Hydrides have emerged as strong candidates for energy storage applications and their study has attracted wide interest in both the academic and industry sectors. With clear advantages due to the solid-state storage of hydrogen hydrides and in particular complex hydrides have the ability to tackle environmental pollution by offering the alternative of a clean energy source: hydrogen. However several drawbacks have detracted this material from going mainstream and some of these shortcomings have been addressed by nanostructuring/nanoconfinement strategies. With the enhancement of thermodynamic and/or kinetic behavior nanosized complex hydrides (borohydrides and alanates) have recently conquered new estate in the hydrogen storage field. The current review aims to present the most recent results many of which illustrate the feasibility of using complex hydrides for the generation of molecular hydrogen in conditions suitable for vehicular and stationary applications. Nanostructuring strategies either in the pristine or nanoconfined state coupled with a proper catalyst and the choice of host material can potentially yield a robust nanocomposite to reliably produce H2 in a reversible manner. The key element to tackle for current and future research efforts remains the reproducible means to store H2 which will build up towards a viable hydrogen economy goal. The most recent trends and future prospects will be presented herein.

The aim of this study is to provide a quantification of the internal pressure contribution to the SSRT properties of H-charged Type-316L steel tested in air at room temperature. Considering pre-existing penny-shaped voids the transient pressure build-up has been simulated as well as its impact on the void growth by preforming JIc calculations. Several void distributions (size and spacing) have been considered. Simulations have concluded that there was no impact of the internal pressure on the void growth regardless the void distribution since the effective pressure was on the order of 1 MPa during the SSRT test. Even if fast hydrogen diffusion related to dislocation pipe-diffusion has been assessed as a conservative case the impact on void growth was barely imperceptible (or significantly low). The effect of internal pressure has been experimentally verified via the following conditions: (I) non-charged in vacuum; (II) H-charged in vacuum; (III) H-charged in 115-MPa nitrogen gas; (IV) non-charged in 115-MPa nitrogen gas. As a result the relative reduction in area (RRA) was 0.84 for (II) 0.88 for (III) and 1.01 for (IV) respectively. The difference in void morphology of the H-charged specimens did not depend on the presence of external pressure. These experimental results demonstrate that the internal pressure had no effect on the tensile ductility and void morphology of the H-charged specimen.

Understanding the system performance of different electrolyzers could aid potential investors achieve maximum return on their investment. To realize this system response characteristics to 4 different summarized data sets of curtailed renewable energy is obtained from the Irish network and was investigated using models of both a Low Temperature Electrolyzer (LTE) and a High Temperature Electrolyzer (HTE). The results indicate that statistical parameters intrinsic to the method of data extraction along with the thermal response time of the electrolyzers influence the hydrogen output. A maximum hydrogen production of 5.97 kTonne/year is generated by a 0.5 MW HTE when the electrical current is sent as a yearly average. Additionally the high thermal response time in a HTE causes a maximum change in the overall flowrate of 65.7% between the 4 scenarios when compared to 7.7% in the LTE. This evaluation of electrolyzer performance will aid investors in determining scenario specific application of P2G for maximizing hydrogen production.

Direct Numerical Simulation (DNS) data obtained by Dave and Chaudhuri (2020) from a lean complex-chemistry hydrogen-air flame associated with the thin-reaction-zone regime of premixed turbulent burning are analyzed to perform a priori assessment of predictive capabilities of the flamelet approach for evaluating mean species concentrations. For this purpose dependencies of mole fractions and rates of production of various species on a combustion progress variable c obtained from the laminar flame are averaged adopting either the actual Probability Density Function (PDF) P (c)  extracted from the DNS data or a common presumed β-function PDF. On the one hand the results quantitatively validate the flamelet approach for the mean mole fractions of all species including radicals but only if the actual PDF P (c) is adopted. The use of the β-function PDF yields substantially worse results for the radicals’ concentrations. These findings put modeling the PDF P (c) on the forefront of the research agenda. On the other hand the mean rate of product creation and turbulent burning velocity are poorly predicted even adopting the actual PDF. These results imply that in order to evaluate the mean species concentrations the flamelet approach could be coupled with another model that predicts the mean rate and turbulent burning velocity better. Accordingly the flamelet approach could be implemented as post-processing of numerical data yielded by that model. Based on the aforementioned findings and implications a new approach to building a presumed PDF is developed. The key features of the approach consist in (i) adopting a re-normalized flamelet PDF for intermediate values of c and (ii) directly using the mean rate of product creation to calibrate the presumed PDF. Capabilities of the newly developed PDF for predicting mean species concentrations are quantitively validated for all species including radicals.

Hydrogen (H) presence in metals is detrimental as unpredictable failure might occur. Recent developments in material’s design indicated that microstructural features such as precipitates play an essential role in potentially increasing the resistance against H induced failure. This work evaluates the H trapping characteristics for TiC and V₄C₃ by thermal desorption spectroscopy and permeation experiments. Two microstructural conditions are compared: as quenched vs. quenched and tempered in which the carbides are introduced. The tempered induced precipitates are able to deeply trap a significant amount of H which decreases the H diffusivity in the materials and removes some of the detrimental H from the microstructure. For microstructural design purposes it is important to know the position of H. Here H is demonstrated to be trapped at the carbide/matrix interface by modifying the tempering treatment.

A combined density functional theory and molecular dynamics approach is employed to study modifications of graphene at atomistic level for better H2 storage. The study reveals H₂ desorption from hydrogenated defective graphene structure V₂₂₂ to be exothermic. H₂ adsorption and desorption processes are found to be more reversible for V₂₂₂ as compared to pristine graphene. Our study shows that V₂₂₂ undergoes brittle fracture under tensile loading similar to the case of pristine graphene. The tensile strength of V₂₂₂ shows slight reduction with respect to their pristine counterpart which is attributed to the transition of sp2 to sp3-like hybridization. The study also shows that the V₂₂₂ structure is mechanically more stable than the defective graphene structure without chemically adsorbed hydrogen atoms. The current fundamental study thus reveals the efficient recovery mechanism of adsorbed hydrogen from V₂₂₂ and paves the way for the engineering of structural defects in graphene for H₂ storage.

The method of Computational Fluid Dynamics is used to predict the process parameters and select the optimum operating regime of a methanol reformer for on-board production of hydrogen as fuel for a 3 kW High-Temperature Proton Exchange Membrane Fuel Cell power system. The analysis uses a three reactions kinetics model for methanol steam reforming water gas shift and methanol decomposition reactions on Cu/ZnO/Al₂O₃ catalyst. Numerical simulations are performed at single channel level for a range of reformer operating temperatures and values of the molar flow rate of methanol per weight of catalyst at the reformer inlet. Two operating regimes of the fuel processor are selected which offer high methanol conversion rate and high hydrogen production while simultaneously result in a small reformer size and a reformate gas composition that can be tolerated by phosphoric acid-doped high temperature membrane electrode assemblies for proton exchange membrane fuel cells. Based on the results of the numerical simulations the reactor is sized and its design is optimized.

Breakthrough discoveries in high-throughput formulation of abundant materials and advanced engineering approaches are both in utter need as prerequisites for developing novel large-scale energy conversion technologies required to address our planet's rising energy demands. Nowadays the rapid deployment of Internet of Things (IoT) associated with a distributed network of power-demanding smart devices concurrently urges for miniaturized systems powered by ambient energy harvesting. Graphene and other related two-dimensional materials (GRM) consist a perfect fit to drive this innovation owing to their extraordinary optoelectronic physical and chemical properties that emerge at the limit of two-dimensions. In this review after a critical analysis of GRM's emerging properties that are beneficial for power generation novel approaches are presented for developing ambient energy conversion devices covering a wide range of scales. Notable examples vary from GRM-enabled large-scale photovoltaic panels and fuel cells smart hydrovoltaics and blue energy conversion routes to miniaturized radio frequency piezoelectric triboelectric and thermoelectric energy harvesters. The insights from this review demonstrate that GRM-enabled energy harvesters apart from enabling the self-powered operation of individual IoT devices have also the potential to revolutionize the way that grid-electricity is provided in the cities of the future. This approach is materialized by two complementary paradigms: cross-coupled integration of GRM into firstly a network consisted of a vast number of miniaturized in-series-connected harvesters and secondly into up-scaled multi-energy hybrid harvesters both approaches having the potential for on-grid energy generation under all-ambient-conditions. At the end of the discussion perspectives on the trends limitations and commercialisation potential of these emerging up-scalable energy conversion technologies are provided. This review aims to highlight the importance of building a network of GRM-based cross-scaled energy conversion systems and their potential to become the guideline for the energy sustainable cities of the future.