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Training in Feed Forward Deep Neural Networks is a memory-intensive operation which is usually performed on GPUs with limited memory capacities. This may force data scientists to limit the depth of the models or the resolution of the input data if data does not fit in the GPU memory. The re-materialization technique, whose idea comes from the checkpointing strategies developed in the Automatic Differentiation literature, allows data scientists to limit the memory requirements related to the storage of intermediate data (activations), at the cost of an increase in the computational cost. This paper introduces a new strategy of re-materialization of activations that significantly reduces memory usage. It consists in selecting which activations are saved and which activations are deleted during the forward phase and then recomputing the deleted activations when they are needed during the backward phase. We propose an original computation model that combines two types of activation savings: either only storing the layer inputs or recording the complete history of operations that produced the outputs. This paper focuses on the fully heterogeneous case, where the computation time and the memory requirement of each layer is different. We prove that finding the optimal solution is NP-hard and that classical techniques from Automatic Differentiation literature do not apply. Moreover, the classical assumption of memory persistence of materialized activations, used to simplify the search of optimal solutions, does not hold anymore. Thus, we propose a weak memory persistence property and provide a dynamic program to compute the optimal sequence of computations. This algorithm is made available through the Rotor software, a PyTorch plug-in dealing with any network consisting of a sequence of layers, each of them having an arbitrarily complex structure. Through extensive experiments, we show that our implementation consistently outperforms existing re-materialization approaches for a large class of networks, image sizes, and batch sizes. [ABSTRACT FROM AUTHOR]

Several industrial sectors, such as for example cement manufacturers and lime producers, produce so-called “unavoidable” CO2 emissions because these ones are intrinsically linked to the industrial process itself (decarbonation of calcium carbonate). In order to reduce these emissions, it is necessary to implement a Carbon Capture, Utilization and/or Storage (CCUS) process chain, whose step of capture, although already technologically mature (especially the absorption-regeneration process using amine(s)-based solvents), leads to very high energy consumption. Three pathways to reduce this consumption have been investigated (experimentally and/or through the development of Aspen PlusTM simulations), namely: (i) upstream of the process thanks to the increase of the flue gas CO2 content (by partial oxy-combustion and/or flue gas recirculation), (ii) within the process (using more efficient and innovative mixtures of solvents such as demixing solutions), and (iii) at the configurational level by using advanced configurations in the capture process. It emerged that the use of a demixing process such as the mixture composed of diethylethanolamine (DEEA) and methylamino-propylamine (MAPA), or the implementation of an advanced process configuration (InterCooling Absorber + Rich Vapor Compression + Rich Solvent Splitting and Preheating, with methyldiethanolamine (MDEA) + piperazine (PZ) as a solvent) are the most energy reducing pathways for the absorption-regeneration process, i.e. more than 40% in comparison with a conventional process using monoethanolamine (MEA). Moreover, from an economical point of view, and compared to a basic configuration with MEA, the demixing technology has the advantage of being able to achieve such energy performance with a more limited investment (CAPEX) (+1.6%) than with advanced process configurations (+8.8%).

The introduction of lithiated components with different 7Li/6Li isotopic ratios, also called isotopic tracing, can give access to better understanding of lithium transport and lithiation processes in lithium-ion batteries. In this work, we propose a simple methodology based on high-resolution solid-state NMR for the determination of the 7Li/6Li ratio in silicon electrodes following different strategies of isotopic tracing. The 6Li and 7Li MAS NMR experiments allow obtaining resolved spectra whose spectral components can be assigned to different moieties of the materials. In order to measure the ratio of the 6Li/7Li NMR integrals, a silicon electrode with a natural 7Li/6Li isotope abundance was used as a reference. This calibration can then be used to determine the 7Li/6Li ratio of any similar samples. This method was applied to study the phenomena occurring at the interface between a silicon electrode and a labeled electrolyte, which is an essential step for isotopic tracing experiments in systems after the formation of the solid electrolyte interphase (SEI). Beyond the isotopic exchanges between the SEI and the electrolyte already observed in the literature, our results show that isotopic exchanges also involve Li–Si alloys in the electrode bulk. Within a 52-hour contact, the electrolyte labeling disappeared: isotopic concentrations of the electrolyte and electrode become practically homogenized. However, at the electrode level, different silicides are characterized by rather different isotopic enrichment. In the present work, ToF SIMS and liquid state NMR were also used to cross-check and discuss the solid-state NMR method we have proposed. [ABSTRACT FROM AUTHOR]

The growing share of renewable energies in our electricity production, together with the still lacking storage capacity, strongly reinforces the need for more flexible electricity production units. In this context, combined cycle gas turbines (CCGTs) have a role to play, both in the current and future electricity production system due to their high efficiency, high load flexibility, and low CO2 emissions compared to other conventional thermal power plants. Nevertheless, bearing in mind our current challenges concerning climate change, the CO2 emissions of these CCGTs need to be reduced drastically. The amine-based absorption carbon capture (CC) process is currently the most mature and applicable CC technology. This process is known to require a considerable amount of thermal energy, degrading plant performance. However, to back-up renewable production, CCGTs will operate most of the time under part-load conditions. The impact of these part-load operations on the CC is still relatively unknown. Within this framework, this study aims to assess the performance of the CC process applied to a typical CCGT under part-load operation using specific simulation models. The CC plant model has been successfully validated against experimental data from a pilot-scale capture facility. Then, the CC plant has been scaled-up to the CCGT scale and the process has been optimized for each operating condition. The simulation results show that the specific reboiler duty increases for part-load operation, while the specific cooling requirements decrease. Moreover, the analysis of the yearly CCGT operation highlights a relative increase in CC energy penalty of 21% for an annual CCGT load factor of 0.5, impacting significantly plant performance. The next step will involve reducing this energy penalty. [ABSTRACT FROM AUTHOR]

Using Si as anode materials for Li-ion batteries remain challenging due to its morphological evolution and SEI modification upon cycling. The present work aims at developing a composite consisting of carbon-coated Si nanoparticles (Si@C NPs) intimately embedded in a three-dimensional (3D) graphene hydrogel (GHG) architecture to stabilize Si inside LiB electrodes. Instead of simply mixing both components, the novelty of the synthesis procedure lies in the in situ hydrothermal process, which was shown to successfully yield graphene oxide reduction, 3D graphene assembly production, and homogeneous distribution of Si@C NPs in the GHG matrix. Electrochemical characterizations in half-cells, on electrodes not containing additional conductive additive, revealed the importance of the protective C shell to achieve high specific capacity (up to 2200 mAh.g−1), along with good stability (200 cycles with an average Ceff > 99%). These performances are far superior to that of electrodes made with non-C-coated Si NPs or prepared by mixing both components. These observations highlight the synergetic effects of C shell on Si NPs, and of the single-step in situ preparation that enables the yield of a Si@C-GHG hybrid composite with physicochemical, structural, and morphological properties promoting sample conductivity and Li-ion diffusion pathways. [ABSTRACT FROM AUTHOR]

Summary: To limit the increase of the global average temperature in the range of 1.5°C to 2°C above pre‐industrial levels, it is mandatory to reduce anthropogenic CO2 emissions. Aggressive mitigation measures are thus needed to tackle these emissions leading to "net negative CO2 emissions." The present study focuses on direct air capture (DAC) processes among the diverse negative emissions approaches. DAC refers to man‐made technologies that selectively extract CO2 from ambient air and deliver it in a concentrated form for further use or storage. DAC technologies are currently developed at different levels of maturity and performance. They can be classified into three main approaches, the liquid sorbent approach, the solid sorbent approach, and a panel of more innovative technologies combining different approaches. They involve various unit operations and different materials and energy types (electrical and thermal). To better evaluate the status and both the environmental and economic performances, the present paper provides a literature review of the life cycle (LCA) and techno‐economic (TEA) assessments in relation to DAC process chains. It was emphasized that DAC could lead to negative emissions if paired with subsequent storage, while the production of synthetic fuels can at best be carbon neutral when using CO2 from the air. Building large DAC plants has an impact on the amount of energy required to operate them, as well as other environmental impacts with regard to land, water, and material use. Even if the carbon‐negative characteristic of DAC was confirmed, these technologies are still expensive. It was highlighted that large DAC costs ranges are currently provided in the literature, from €80/tCO2 to €1133/tCO2 for the current DAC processes, while estimations from €34 to €260/tCO2 are expected in the future. Different levers were identified to improve the environmental and economic performances of DAC processes, such as the availability of waste heat, the heat integration possibilities, and, among others, the improvement of contactors and sorbents properties. Highlights: The paper entitled "Life cycle and techno‐economic assessments of direct air capture processes: An integrated review," submitted by Dr Remi Chauvy and Dr Lionel Dubois, fills the current gap in terms of comprehensive systematic and impacts assessment research on Direct Air Capture (DAC) technologies.Indeed, to better evaluate the status and both the environmental and economic performances of DAC technologies, the present paper provides an up‐to‐date literature review of the life cycle (LCA) and techno‐economic (TEA) assessments in relation with DAC process chains.The paper goes beyond the literature review as key levers, related to technology developments, to the energy use and to the implementation characteristics, are also identified to improve the environmental and economic performances of DAC processes. [ABSTRACT FROM AUTHOR]

The structural and dynamical behaviors of the cryptophanes bearing molecules as well as their interaction with xenon are studied by using [.sup.1.H] and [.sup.128.Xe] NMR. The host molecules are shown to exist in aqueous solution under different conformations in very slow exchange whereas the cryptophanes in such conformation are unable to complex xenon.

The (super 1)H chemical shift variations are monitored under xenon pressures to determine the noble gas binding constant. The comparison to the exchange experienced by protein protons shows that the exchange between the open and closed conformations of wild-type bacteriophage T4 lysozome is not required for xenon binding.

The combination of different xenon-based NMR methods is used to investigate the hydrophobic cavity of lipid transfer protein from Nicotiana tabacum. The study of (super 129)Xe chemical shifts and relaxation times as a function of the noble gas or protein concentrations provides insight into the affinity of xenon to the protein.

The study of the interaction between xenon and two cryptophane derivatives in organic solution is carried out. The results clearly indicate that in the design of new cage molecules for biosensing, the separation of cryptophane diastereomers is important because their affinity and their properties vis-a-vis could be strongly different.

Longitudinal relaxation times T(sub 1) of laser-polarized xenon in water solutions containing alpha-cylodextrin and wheat nonspecific lipid transfer protein are measured. It reveals that even with an atom of high polarizability, such as xenon, the van der Waals energy is not sufficiently predominant to avoid large amplitude motions of an apolar guest around its average sites.

Research has been conducted on the mononuclear manganese(II) complex. The crystal structure and the electrochemical behavior of this complex in organic medium have been investigated and details are reported.

'Mythology is the collection of myths of a people, a civilization, a religion.' Those myths may vary from the cosmogonic to the historic (from the transfiguration of a feat of [...]

The evolution in the design of modern parallel platforms leads to revisit the scheduling jobs on distributed heterogeneous resources. The goal of this survey is to present the main existing algorithms, to classify them based on their underlying principles, and to propose unified implementations to enable their fair comparison, in terms of running time and quality of schedules, on a large set of common benchmarks that we made available for the community. Beyond this comparison, our goal is also to understand the main difficulties that heterogeneity conveys and the shared principles that guide the design of efficient algorithms. [ABSTRACT FROM AUTHOR]