310 research outputs found
Normality of I-V Measurements Using ML
Electrochemistry ecosystems are promising for accelerating the design and
discovery of electrochemical systems for energy storage and conversion, by
automating significant parts of workflows that combine synthesis and
characterization experiments with computations. They require the integration of
flow controllers, solvent containers, pumps, fraction collectors, and
potentiostats, all connected to an electrochemical cell. These are specialized
instruments with custom software that is not originally designed for network
integration. We developed network and software solutions for electrochemical
workflows that adapt system and instrument settings in real-time for multiple
rounds of experiments. We demonstrate this automated workflow by remotely
operating the instruments and collecting their measurements to generate a
voltammogram (I-V profile) of an electrolyte solution in an electrochemical
cell. These measurements are made available at the remote computing system and
used for subsequent analysis. In this paper, we focus on a novel, analytically
validated machine learning (ML) method for an electrochemistry ecosystem to
ensure that I-V measurements are consistent with the normal experimental
conditions, and to detect abnormal conditions, such as disconnected electrodes
or low cell content volume.Comment: published at eScience 202
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Amazonian Hydrothermal Alteration Comparing Nakhlite Secondary Mineralogy to Water Rock Reaction Experiments
We report on results from experiments with Mars analog materials under diagenetic conditions. The mineralogical results of our experiments suggest that an important type of fluid alteration in the Amazonian may be short duration (e.g. less than 1 year) events from near neutral, dilute brines, that were able to exchange CO2 either directly, or via ice reservoirs, with the atmosphere
Magnetic properties of the geometrically frustrated S=1/2 antiferromagnets, La2LiMoO6 and Ba2YMoO6, with the B-site ordered double perovskite structure: Evidence for a Collective Spin Singlet Ground State
Two B-site ordered double perovskites, La2LiMoO6 and Ba2YMoO6, based on the S
= 1/2 ion, Mo5+, have been investigated in the context of geometric magnetic
frustration. Powder neutron diffraction, heat capacity, susceptibility, muon
spin relaxation(_SR), and 89Y NMR- including MAS NMR- data have been collected.
La2LiMoO6 deviates strongly from simple Curie-Weiss paramagnetic behavior below
150K and zero-field cooled/ field cooled (ZFC/FC)irreversibility occurs below
20K with a weak, broad susceptibility maximum near 5K in the ZFC data. A
Curie-Weiss fit shows a reduced mu_eff=1.42\mu_B, (spin only = 1.73 muB) and a
Weiss temperature, \theta_c, which depends strongly on the temperature range of
the fit. Powder neutron diffraction, heat capacity and 7Li NMR show no evidence
for long range magnetic order to 2K. On the other hand oscillations develop
below 20K in muSR indicating at least short range magnetic correlations.
Susceptibility data for Ba2YMoO6 also deviate strongly from the C-W law below
150K with a similarly reduced mu_eff = 1.72\mu_B and \theta_c = - 219(1)K. Heat
capacity, neutron powder diffraction and muSR data show no evidence for long
range order to 2K but a very broad maximum appears in the heat capacity. The
89Y NMR paramagnetic Knight shift shows a remarkable local spin susceptibility
behavior below about 70K with two components from roughly equal sample volumes,
one indicating a singlet state and the other a strongly fluctuating
paramagnetic state. Further evidence for a singlet state comes from the
behavior of the relaxation rate, 1/T1. These results are discussed and compared
with those from other isostructural S = 1/2 materials and those based on S =
3/2 and S = 1.Comment: Accepted for publication in Phys. Rev.
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