Thermodynamic Analysis of Biodegradation Pathways

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More attention has been paid to integrating existing knowledge with data to understand the complex mechanical behaviour of geomaterials, but it incurs scepticism and criticism on its generalizability and robustness. Moreover, a common mistake in current da ...

The corrosion mechanisms of a Roman iron bezel ring were investigated by in-depth characterization of its uncommon corrosion pattern and thermodynamic modelling. A silver foil and altered glass remnants were identified, covered with thick strata of magneti ...

The mechanisms of external sulfate attack on cement mortars containing nano silica have been studied under full immersion conditions after 3 years. The sulfate degradation processes were compared between sodium sulfate and magnesium sulfate solutions with ...

The WO 3 surface catalyst offers the acceleration of the conversion of water into oxygen and protons. In this work, we study the oxygen evolution reaction (OER) and H 2 O 2 formation as competitive reactions on the (001) WO 3 surface using stateof-the-art ...

Hydraulic energy is a key component of the global energy mix, yet there exists no practical way of harvesting it at small scales, from flows with low Reynolds number. This has triggered a search for alternative hydroelectric conversion methodologies, leadi ...

This work introduces a new methodology to predict the fatigue life of viscoelastic materials by considering the creep effect on fatigue behavior under the concurrent effects of stress level, stress ratio, and temperature. The model established based on the ...

Empowered by ever-increasing computational power and algorithmic developments, electronic-structure simulations continue to drive research and innovation in materials science. In this context, ab-initio calculations offer an unbiased platform for the under ...

Nature provides a wide range of self-assembled structures from the nanoscale to the macroscale. Under the right thermodynamic conditions and with the appropriate material supply, structures like stalactites, icicles, and corals can grow. However, the natur ...

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

This paper studies the effect of temperature on the phase assemblages of belite-ye'elimite cement. A comparison is made between thermodynamic modelling and experimental data at 28 and 180 days of hydration at 5, 20, 40, and 60 degrees C. The fast reaction ...

We address the degeneracy of the ground state multiplet on the 5d(1) Re6+ ion in double perovskite Ba2MgReO6 using a combination of specific heat measurements and density functional calculations. For Ba2MgReO6, two different ground state multiplets have pr ...

Thermoset rubbers give rise to elastomers with tunable stiffness and high resilience but are not recyclable. Thermoplastic elastomers can address this problem but their broad applicability is impeded by either limited operating temperatures or inferior ela ...

Genome duplication, transcription, and translation are among many crucial cellular processes that need to be performed with high fidelity. However, those extremely low error rates cannot be explained with simple equilibrium thermodynamic considerations. Th ...

One of the main challenges hampering the development of kinetic models is the lack of kinetic parameters for many enzymatic reactions. Here, the authors introduce a framework to explore the catalytically optimal operating conditions of any complex enzyme m ...

To rank the performanceof materials for a given carbon captureprocess, we rely on pure component isotherms from which we predictthe mixture isotherms. For screening a large number of materials,we also increasingly rely on isotherms predicted from molecular ...

Direct photolysis and indirect photolysis are important abiotic processes in aquatic environments through which plastics can be transformed physically and chemically. Transport of biodegradable plastics in water is influenced by vertical mixing and turbule ...

This thesis reports on the realization of the first experiments conducted with superfluid, strongly interacting Fermi gases of 6Li coupled to the light field of an optical cavity. In the scope of existing ultracold atomic platforms, this is the first time ...

Biomass resources can play an important role in the energy transition, being a dynamic feedstock that can be transformed either into solid, liquid or gaseous fuels. The biomass gasification is a versatile way to convert wastes into energy. In this work, th ...

A new electrically driven gas booster is described as an alternative to the classical air-driven gas boosters known for their poor energetic efficiency. These boosters are used in small scale Hydrogen storage facilities and in refueling stations for Hydrog ...

We study elastic ribbons subject to large, tensile pre-stress confined to a central region within the cross-section. These ribbons can buckle spontaneously to form helical shapes, featuring regions of alternating chirality (phases) that are separated by so ...

Thermodynamic Analysis of Biodegradation Pathways

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t-PiNet: A thermodynamics-informed hierarchical learning for discovering constitutive relations of geomaterials

Unique corrosion behavior of an archaeological Roman iron ring: Microchemical characterization and thermodynamic considerations

Contradict mechanism of long-term magnesium and sodium sulfate attacks of nano silica-modified cement mortars - Experimental and thermodynamic modeling

A metadynamics study of water oxidation reactions at (001)-WO3/liquid-water interface

Hydroelectric energy conversion of waste flows through hydroelectronic drag

A novel fatigue life prediction methodology based on energy dissipation in viscoelastic materials, synergistic effects of stress level, stress ratio, and temperature

Spectral and thermodynamic properties of interacting electrons with dynamical functionals

Nature-Inspired Stalactite Nanopores for Biosensing and Energy Harvesting

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Influence of temperature on phase assemblages of belite-ye'elimite cement

Experimental and theoretical thermodynamic studies in Ba2MgReO6-the ground state in the context of Jahn-Teller effect

Reinforced Supramolecular Networks of End Functionalized Polymers for Tailored Thermomechanical Property Profiles

Individual and combined benefits of different nonequilibrium proofreading mechanisms

Optimal enzyme utilization suggests that concentrations and thermodynamics determine binding mechanisms and enzyme saturations

A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture

Photodegradation of biodegradable plastics in aquatic environments: Current understanding and challenges

Many-body physics with strongly interacting fermions coupled to light

Comparison of regression techniques for generating surrogate models to predict the thermodynamic behavior of biomass gasification systems

Increasing the Energy Efficiency of Gas Boosters for Hydrogen Storage and for Refueling Stations

Twisting instabilities in elastic ribbons with inhomogeneous pre-stress: A macroscopic analog of thermodynamic phase transition