Materials with negative linear compressibility are sought for various technological applications. Such effects were reported mainly in framework materials. When heated, they typically contract in the same direction of negative linear compression. Here we show that this common inverse relationship rule does not apply to a three-dimensional metal-organic framework crystal, [Ag(ethylenediamine)]NO 3 . In this material, the direction of the largest intrinsic negative linear compression yet observed in metal-organic frameworks coincides with the strongest positive thermal expansion. In the perpendicular direction, the large linear negative thermal expansion and the strongest crystal compressibility are collinear. This seemingly irrational positive relationship of temperature and pressure effects is explained and the mechanism of coupling of compressibility with expansivity is presented. The positive coupling between compression and thermal expansion in this material enhances its piezomechanical response in adiabatic process, which may be used for designing new artificial composites and ultrasensitive measuring devices.
We show that a scheme to solve the 2-D eikonal equation by a finite‐difference method can violate causality for moderate to large velocity contrasts [Formula: see text]. As an alternative, we present a finite‐difference scheme in which the solution region progresses outward from an “expanding wavefront” rather than an “expanding square,” and therefore honors causality. Our method appears to be stable and reasonably accurate for a variety of velocity models with moderate to large velocity contrasts. The penalty is a large increase in computational cost and programming effort.
A soft porous material [Zn(L)2(OH)2]n·Guest (where L is 4-(1H-naphtho[2,3-d]imidazol-1-yl)benzoate, and Guest is water or methanol) exhibits the strongest ever observed negative area compressibility (NAC), an extremely rare property, as at hydrostatic pressure most materials shrink in all directions and few expand in one direction. This is the first NAC reported in metal-organic frameworks (MOFs), and its magnitude, clearly visible and by far the highest of all known materials, can be reversibly tuned by exchanging guests adsorbed from hydrostatic fluids. This counterintuitive strong NAC of [Zn(L)2(OH)2]n·Guest arises from the interplay of flexible [-Zn-O(H)-]n helices with layers of [-Zn-L-]4 quadrangular puckered rings comprising large channel voids. The compression of helices and flattening of puckered rings combine to give a giant piezo-mechanical response, applicable in ultrasensitive sensors and actuators. The extrinsic NAC response to different hydrostatic fluids is due to varied host-guest interactions affecting the mechanical strain within the range permitted by exceptionally high flexibility of the framework.
The crystal structure of elements at zero pressure and temperature is the most fundamental information in condensed matter physics. For decades it has been believed that lithium, the simplest metallic element, has a complicated ground-state crystal structure. Using synchrotron x-ray diffraction in diamond anvil cells and multiscale simulations with density functional theory and molecular dynamics, we show that the previously accepted martensitic ground state is metastable. The actual ground state is face-centered cubic (fcc). We find that isotopes of lithium, under similar thermal paths, exhibit a considerable difference in martensitic transition temperature. Lithium exhibits nuclear quantum mechanical effects, serving as a metallic intermediate between helium, with its quantum effect-dominated structures, and the higher-mass elements. By disentangling the quantum kinetic complexities, we prove that fcc lithium is the ground state, and we synthesize it by decompression.
We report synchrotron X-ray diffraction, photoconductivity, and photoluminescence investigations of methylammonium-lead-bromide (MAPbBr) under various stress conditions, supported by density-functional-theory (DFT) calculations. The properties of MAPbBr show substantial dependence on the hydrostatic conditions. While nonhydrostatic compression of MAPbBr leads to amorphization above 2.4 GPa, under quasi-hydrostatic (Ar) and hydrostatic (He) pressure, the sample remains in crystalline phases. A sequence of phase transitions between two cubic phases and orthorhombic Pnma phase is observed when using Ar, or no pressure-transmitting-medium (PTM). In helium-PTM only transitions between the two cubic structures and a new isostructural phase transition with a large volume collapse to a third cubic-phase at 2.7 GPa was observed. The photoluminescence measurements indicate a pressure-induced band gap-narrowing in the cubic phase I, and a blue-shift in the orthorhombic structure. DFT calculations illustrate that the dynamics of the organic molecules and the inorganic lattice, coupled via the N-H···Br hydrogen-bonding interactions, affect the Pb-Br distance and the bandgap evolution under pressure.
A hybrid wave‐equation traveltime and waveform inversion method is presented that reconstructs the interwell velocity distribution from crosshole seismic data. This inversion method, designated as WTW, retains the advantages of both full wave inversion and traveltime inversion; i.e., it is characterized by reasonably fast convergence which is somewhat independent of the initial model, and it can resolve detailed features of the velocity model. In principle, no traveltime picking is required and the computational cost of the WTW method is about the same as that for full wave inversion. We apply the WTW method to synthetic data and field crosshole data collected by Exxon at their Friendswood, Texas, test site. Results show that the WTW tomograms are much richer in structural information relative to the traveltime tomograms. Subtle structural features in the WTW Friendswood tomogram are resolved to a spatial resolution of about 1.5 m, yet are smeared or completely absent in the traveltime tomogram. This suggests that it might be better to obtain high quality (distinct reflections) crosshole data at intermediate frequencies, compared to intermediate quality data (good quality first arrivals, but the reflections are buried in noise) at high frequencies. Comparison of the reconstructed velocity profile with a log in the source well shows very good agreement within the 0–200 m interval. The 200–300 m interval shows acceptable agreement in the velocity fluctuations, but the tomogram’s velocity profile differs from the sonic log velocities by a DC shift. This highlights both the promise and the difficulty with the WTW method; it can reconstruct both the and high wavenumber parts of the model, but it can have difficulty recovering the very low wavenumber parts of the model.
A hybrid wave-equation traveltime and waveform inversion method is presented that reconstructs the interwell velocity distribution from crosshole seismic data. This inversion method, designated as WTW, retains the advantages of both full wave inversion and traveltime inversion; i.e., it is characterized by reasonably fast convergence which is somewhat independent of the initial model, and it can resolve detailed features of the velocity model. In principle, no traveltime picking is required and the computational cost of the WTW method is about the same as that for full wave inversion.We apply the WTW method to synthetic data and field crosshole data collected by Exxon at their Friendswood, Texas, test site. Results show that the WTW tomograms are much richer in structural information relative to the traveltime tomograms. Subtle structural features in the WTW Friendswood tomogram are resolved to a spatial resolution of about 1.5 m, yet are smeared or completely absent in the traveltime tomogram. This suggests that it might be better to obtain high quality (distinct reflections) crosshole data at intermediate frequencies, compared to intermediate quality data (good quality first arrivals, but the reflections are buried in noise) at high frequencies.Comparison of the reconstructed velocity profile with a log in the source well shows very good agreement within the O-200 m interval. The 200-300 m interval shows acceptable agreement in the velocity fluctuations, but the tomogram's velocity profile differs from the sonic log velocities by a DC shift. This highlights both the promise and the difficulty with the WTW method; it can reconstruct both the intermediate and high wavenumber parts of the model, but it can have difficulty recovering the very low wavenumber parts of the model. two extremes, traveltime inversion (Dines and Lytle, 1979; A weakness of traveltime inversion is that it employs a high frequency approximation and so it can fail when the earth's velocity variations have nearly the same wavelength
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
hi@scite.ai
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.