相关论文: Selective gas capture via kinetic trapping
We address the problem of the so-called ``granular gases'', i.e. gases of massive particles in rapid movement undergoing inelastic collisions. We introduce a class of models of driven granular gases for which the stationary state is the…
We combine infrared spectroscopy, nano-indentation measurements, and \emph{ab initio} simulations to study the evolution of structural, elastic, thermal, and electronic responses of the metal organic framework MOF-74-Zn when loaded with…
Our planet is roughly closed to matter, but open to energy input from the sun. However, to harness this energy, organisms must transform matter from one chemical (redox) state to another. For example, photosynthetic organisms can capture…
We envision an autonomous sorbent materials foundry (SMF) for rapidly evaluating materials for direct air capture of carbon dioxide (CO2), specifically targeting novel metal organic framework materials. Our proposed SMF is hierarchical,…
The possibility of generating multiple coherent modes in trapped Bose gases is advanced. This requires the usage of several driving fields whose frequencies are tuned close to the corresponding transition frequencies. A general criterion is…
Finding new two-dimensional (2D) materials with novel quantum properties is highly desirable for technological innovations. In this work, we studied a series of metal-organic frameworks (MOFs) with different metal cores and discovered…
A molecular model for carbon dioxide is assessed regarding vapor-liquid equilibrium properties. Large deviations, being above 15 %, are found for vapor pressure and saturated vapor density in the entire temperature range.
Metastable nanostructures are kinetically trapped in local energy minima featuring intriguing surface and material properties. To unleash their potential, there is a need for non-equilibrium processes capable of stabilizing a large range of…
In the study of trapped two-component Bose gases, a widely used dynamical protocol is to start from the ground state of a one-component condensate and then switch half the atoms into another hyperfine state. The slightly different…
Satellite-based estimates of greenhouse gas (GHG) properties from observations of reflected solar spectra are integral for understanding and monitoring complex terrestrial systems and their impact on the carbon cycle due to their near…
We describe a method that focuses sampling effort on a user-defined selection of a large system, which can lead to substantial decreases in computational effort by speeding up the calculation of nonbonded interactions. A naive approach can…
Understanding the lifetime of CO2 in the atmosphere is critical for predictions regarding future climate changes. A simple mass conservation analysis presented here generates tight estimations for the atmosphere's retention time constant.…
Metal-organic frameworks (MOFs) are nanoporous compounds composed of metal ions and organic linkers. MOFs play an important role in industrial applications such as gas separation, gas purification, and electrolytic catalysis. Important MOF…
Cost-effective decarbonisation of the built environment is a stepping stone to achieving net-zero carbon emissions since buildings are globally responsible for more than a quarter of global energy-related CO$_2$ emissions. Improving energy…
We propose a novel framework for decision-making in cooperative grasping for two-robot object transport in constrained environments. The core of the framework is a Conditional Embedding (CE) model consisting of two neural networks that map…
In addition to reducing anthropogenic emissions of CO$_2$, it is increasingly clear we also need to remove CO$_2$ from the atmosphere in order to avoid some of the worst case scenarios for climate change. Geologic sequestration of CO$_2$ is…
A recently introduced particle-based model for fluid dynamics with effective excluded volume interactions is analyzed in detail. The interactions are modeled by means of stochastic multiparticle collisions which are biased and depend on…
The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly…
We formulate a control system model for the distributed flow of mixtures of highly heterogeneous gases through large-scale pipeline networks with time-varying injections of constituents, withdrawals, and control actions of compressors. This…
Ultracold atomic gases with uniform density can be created by flat-bottom optical traps. These gases provide an ideal platform to study many-body physics in a system that allows for simple connections with theoretical models and emulation…