Related papers: Intrinsic Direct Air Capture
The structural, electronic, optical and thermodynamic properties of Mo2Ga2C are investigated using density functional theory (DFT) within the generalized gradient approximation (GGA). The optimized crystal structure is obtained and the…
Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps to carburization of metal. Here, we use density functional theory total energy calculations with the climbing-image nudged elastic band method to…
The amplitude of ground state superconducting energy gap $\Delta(0)$ and relative jump in electronic specific heat at the transition temperature, $\Delta$$C$${/}$$\gamma$$T_c$, are primary fundamental parameters of any superconductor. There…
A novel mathematical model for fiber-reinforced materials is proposed. It is based on a 1-dimensional beam model for the thin fiber structures, a flexible and general 3-dimensional elasticity model for the matrix and an overlapping domain…
AI data centers (AIDCs) are rapidly increasing electricity demand and associated CO2 emissions, yet they also generate continuous low-grade waste heat. Here, we assess whether this heat can be upgraded by heat pumps to drive direct air…
Supersonic engine development requires accurate and detailed measurements of fluidic and thermodynamic parameters to optimize engine designs and benchmark computational fluid dynamic (CFD) simulations. Here, we demonstrate that dual…
We derived a new formula for calculating the moist adiabatic temperature profile of an atmosphere consisting of ideal gases with multiple condensing species. This expression unifies various formulas published in the literature and can be…
A new global analytical model of the heat dissipation process that occurs in passively-cooled embedded systems is introduced, and we explicit under what circumstances the traditional assumption that exponential cooling laws apply in such…
The importance of co-adsorption for applications of porous materials in gas separation has motivated fundamental studies, which have initially focused on the comparison of the binding energies of different gas molecules in the pores (i.e.…
We use an airborne pulsed integrated path differential absorption lidar to make spectroscopic measurements of the pressure-induced line broadening and line center shift of atmospheric CO2 at the 1572.335 nm absorption line. We measure the…
Protective applications require energy-absorbing materials that are soft and compressible enough to absorb kinetic energy from impacts, yet stiff enough to bear crushing loads. Achieving this balance requires careful consideration of both…
Nanoporous materials have attracted significant interest as an emerging platform for adsorption-related applications. The high-throughput computational screening became a standard technique to access the performance of thousands of…
Accurate thermodynamic stability predictions enable data-driven computational materials design. Standard density functional theory (DFT) approximations have limited accuracy with average errors of a few hundred meV/atom for ionic materials…
The linear absorption spectrum of J and H molecular aggregates is studied using the time-dependent Dirac-Frenkel variational principle (TDVP) with the multi-Davydov D2 (mD2) trial wavefunction (Ansatz). Both the electronic and vibrational…
A new experimental set-up INterStellar Ice-Dust Experiment (INSIDE), was designed for studying cosmic grain analogues represented by ice-coated carbon- and silicate-based dust grains. In the new instrument, we can simulate physical and…
We have performed a thorough computational study to assess the accuracy of density functional theory (DFT) methods in describing the interactions of CO2 with model alkali-earth-metal (AEM, Ca and Li) decorated carbon structures, namely…
Metal-organic frameworks (MOFs) are promising materials for methane capture due to their high surface area and tunable properties. Metal substitution represents a powerful strategy to enhance MOF performance, yet systematic exploration of…
We show how to overcome almost every major limitation in passive dew collection including: parasitic heating, parasitic evaporation, uncontrolled wind conditions, and performing dew collection 24 hours per day at nearly arbitrary relative…
Decoherence is a major obstacle to any practical implementation of quantum information processing. One of the leading strategies to reduce decoherence is dynamical decoupling --- the use of an external field to average out the effect of the…
The ocean contains a substantial amount of energy, and the efficient harvesting of this energy holds significant importance. Drawing inspiration from the biomimicry of octopus tentacles, this study introduces a synergistic mechanism…