Sr3CrN3: a new electride with partially filled d-shells

Kavli Affiliate: Jin Suntivich | Summary:Electrides are ionic crystals in which the electrons prefer to occupy free space, serving as anions. Because the electrons prefer to be in the pockets, channels, or layers to the atomic orbitals around the nuclei, it has been challenging to find electrides with partially filled d-shells, since an unoccupied d-shell […]


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Non-isothermal effects on water potential measurement in a simple geometry

Kavli Affiliate: Abraham Stroock | Summary:In this paper, we investigate quantitatively the coupling between gradients of temperature and of chemical or water potential under steady state conditions in the vapor phase. This coupling is important for the measurement and modeling of the dynamics of water in unsaturated environments like soils and plants. We focus on […]


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Metastable ferroelectricity in optically strained $SrTiO_3$

Kavli Affiliate: Ankit Disa | Summary:Fluctuating orders in solids are generally considered high-temperature precursors of broken symmetry phases. However, in some cases these fluctuations persist to zero temperature and prevent the emergence of long-range order, as for example observed in quantum spin and dipolar liquids. $SrTiO_3$ is a quantum paraelectric in which dipolar fluctuations grow […]


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Robust Model Predictive Control of Irrigation Systems with Active Uncertainty Learning and Data Analytics

Kavli Affiliate: Abraham Duncan Stroock | First 5 Authors: Chao Shang, Wei-Han Chen, Abraham Duncan Stroock, Fengqi You, | Summary: We develop a novel data-driven robust model predictive control (DDRMPC) approach for automatic control of irrigation systems. The fundamental idea is to integrate both mechanistic models, which describe dynamics in soil moisture variations, and data-driven […]


Continue.. Robust Model Predictive Control of Irrigation Systems with Active Uncertainty Learning and Data Analytics

Robust Model Predictive Control of Irrigation Systems with Active Uncertainty Learning and Data Analytics

Kavli Affiliate: Abraham Stroock | Summary:We develop a novel data-driven robust model predictive control (DDRMPC) approach for automatic control of irrigation systems. The fundamental idea is to integrate both mechanistic models, which describe dynamics in soil moisture variations, and data-driven models, which characterize uncertainty in forecast errors of evapotranspiration and precipitation, into a holistic systems […]


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Disentangling lattice and electronic contributions to the metal-insulator transition from bulk vs. layer confined RNiO$_3$

Kavli Affiliate: Ankit Disa | First 5 Authors: Alexandru B. Georgescu, Oleg E. Peil, Ankit Disa, Antoine Georges, Andrew J. Millis | Summary: In complex oxide materials, changes in electronic properties are often associated with changes in crystal structure, raising the question of the relative roles of the electronic and lattice effects in driving the […]


Continue.. Disentangling lattice and electronic contributions to the metal-insulator transition from bulk vs. layer confined RNiO$_3$

Disentangling lattice and electronic contributions to the metal-insulator transition from bulk vs. layer confined RNiO$_3$

Kavli Affiliate: Ankit Disa | Summary:In complex oxide materials, changes in electronic properties are often associated with changes in crystal structure, raising the question of the relative roles of the electronic and lattice effects in driving the metal-insulator transition. This paper presents a combined theoretical and experimental analysis of the dependence of the metal-insulator transition […]


Continue.. Disentangling lattice and electronic contributions to the metal-insulator transition from bulk vs. layer confined RNiO$_3$

Enhanced oxygen solubility in metastable water under tension

Kavli Affiliate: Warren R. Zipfel | Summary:Despite its relevance in numerous natural and industrial processes, the solubility of molecular oxygen has never been directly measured in capillary condensed liquid water. In this article, we measure oxygen solubility in liquid water trapped within nanoporous samples, in metastable equilibrium with a subsaturated vapor. We show that solubility […]


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Searching for Materials with High Refractive Index and Wide Band Gap: A First-Principles High-Throughput Study

Kavli Affiliate: Jin Suntivich | Summary:Materials combining both a high refractive index and a wide band gap are of great interest for optoelectronic and sensor applications. However, these two properties are typically described by an inverse correlation with high refractive index appearing in small gap materials and vice-versa. Here, we conduct a first-principles high-throughput study […]


Continue.. Searching for Materials with High Refractive Index and Wide Band Gap: A First-Principles High-Throughput Study