Concept

Processus thermodynamique

Publications associées (439)

Uncertainty estimation for molecular dynamics and sampling

Michele Ceriotti, Federico Grasselli, Yongbin Zhuang, Venkat Kapil, Kevin Rossi, Edgar Albert Engel, Giulio Imbalzano

Machine-learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale, and complexity. Given the interpolative nature of these models, the r ...

2021

Nematic quantum criticality in an Fe-based superconductor revealed by strain-tuning

Joshua Alan Wolfe Straquadine

Quantum criticality may be essential to understanding a wide range of exotic electronic behavior; however, conclusive evidence of quantum critical fluctuations has been elusive in many materials of current interest. An expected characteristic feature of qu ...

AMER ASSOC ADVANCEMENT SCIENCE2021

Extraction of Rare Earth Metals: The New Thermodynamic Considerations Toward Process Hydrometallurgy

Christian Ludwig, Rudolf Paul Wilhelm Jozef Struis, Andrea Testino, Ajay Bhagwan Patil

Successful management of secondary waste resources is essential for the viable circular economy. E-waste could serve as the potential urban mining source for the alternative supply chain of critical metals such as rare earth elements (REEs). The hydrometal ...

Springer Nature Switzerland AG2021

A High Efficiency Pneumatic Drive System Using Vane-Type Semi-Rotary Actuators

Alfred Rufer

A compressed air driven generator is proposed, where the pneumatic energy is converted into mechanical energy using two vane-type rotational actuators. The use of a second actuator with a higher displacement in order to produce a thermodynamic expansion al ...

UNIV NIS2021

A genome-scale metabolic model of Saccharomyces cerevisiae that integrates expression constraints and reaction thermodynamics

Vassily Hatzimanikatis, Ljubisa Miskovic, Maria Masid Barcon, Mohammadomid Oftadeh, Pierre Guy Rémy Salvy

Eukaryotic organisms play an important role in industrial biotechnology, from the production of fuels and commodity chemicals to therapeutic proteins. To optimize these industrial systems, a mathematical approach can be used to integrate the description of ...

NATURE PORTFOLIO2021

Aggregation of discoidal particles due to depletion interaction

Depletion interactions between colloids of discoidal shape can induce their self-assembly into columnar aggregates. This is an effect of entropic origin with important implications in a range of colloidal systems, particularly in the clustering of erythroc ...

2021

Network design optimization of waste management systems: the case of plastics

François Maréchal

Failure in appropriately managing complex municipal solid waste systems in general and waste plastics in particular negatively affects public health and environment. A decision-making tool incorporating concepts of logistics and supply chain, considering d ...

Elsevier2021

Characterization of untransformed ferrite in 10Cr and 12Cr ODS steels

Roland Logé

Two new ferrito-martensitic oxide dispersion strengthened (ODS) steels reinforced with (Y, Ti, O) nanoparticles were elaborated using a high-energy attritor. The milled powder was consolidated by hot extrusion at 1050 degrees C. The two types of ODS steels ...

ELSEVIER SCI LTD2021

Exergy and environmental analysis of black liquor upgrading gasification in an integrated kraft pulp and ammonia production plant

Daniel Alexander Florez Orrego

The black liquor is a byproduct of the kraft pulping process that contains more than half of the exergy content in the total woody biomass fed to the digester, representing a key supply of renewable energy to the pulping process. In this work, the conventi ...

2021

Tuning the Size and Geometry of Heteroleptic Coordination Cages by Varying the Ligand Bent Angle

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Rujin Li

Spherical assemblies of the type [PdnL2n]2n+ can be obtained from PdII salts and curved N-donor ligands, L. It is well established that the bent angle, α, of the ligand is a decisive factor in the self-assembly process, with larger angles leading to comple ...

2021

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