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Record W4297092833 · doi:10.1073/pnas.2209213119

Nuclear magnetic resonance diffraction with subangstrom precision

2022· article· lv· W4297092833 on OpenAlexafffund
Holger Haas, Sahand Tabatabaei, William B. Rose, Pardis Sahafi, Michèle Piscitelli, A. S. Jordan, Pritam Priyadarsi, Namanish Singh, B. Yager, Philip J. Poole, Dan Dalacu, Raffi Budakian

Bibliographic record

VenueProceedings of the National Academy of Sciences · 2022
Typearticle
Languagelv
FieldPhysics and Astronomy
TopicAtomic and Subatomic Physics Research
Canadian institutionsNational Research Council CanadaUniversity of Waterloo
FundersArmy Research OfficeOntario Ministry of Research and InnovationNatural Sciences and Engineering Research Council of CanadaCanada First Research Excellence FundUniversity of WaterlooIndustry Canada
KeywordsAlgorithmMaterials scienceComputer science

Abstract

fetched live from OpenAlex

We have combined ultrasensitive force-based spin detection with high-fidelity spin control to achieve NMR diffraction (NMRd) measurement of ~2 million <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"> <mml:mrow> <mml:msup> <mml:mrow/> <mml:mrow> <mml:mi mathvariant="bold">31</mml:mi> </mml:mrow> </mml:msup> </mml:mrow> </mml:math> P spins in a <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"> <mml:mrow> <mml:msup> <mml:mrow> <mml:mrow> <mml:mo stretchy="false">(</mml:mo> <mml:mn>50</mml:mn> <mml:mo> </mml:mo> <mml:mi mathvariant="bold">n</mml:mi> <mml:mi mathvariant="bold">m</mml:mi> <mml:mo stretchy="false">)</mml:mo> </mml:mrow> </mml:mrow> <mml:mn mathvariant="bold">3</mml:mn> </mml:msup> </mml:mrow> </mml:math> volume of an indium-phosphide (InP) nanowire. NMRd is a technique originally proposed for studying the structure of periodic arrangements of spins, with complete access to the spectroscopic capabilities of NMR. We describe two experiments that realize NMRd detection with subangstrom precision. In the first experiment, we encode a nanometer-scale spatial modulation of the z -axis magnetization of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"> <mml:mrow> <mml:msup> <mml:mrow/> <mml:mrow> <mml:mn>31</mml:mn> </mml:mrow> </mml:msup> </mml:mrow> </mml:math> P spins and detect the period and position of the modulation with a precision of &lt;0.8 Å. In the second experiment, we demonstrate an interferometric technique, utilizing NMRd, to detect an angstrom-scale displacement of the InP sample with a precision of 0.07 Å. The diffraction-based techniques developed in this work extend the Fourier-encoding capabilities of NMR to the angstrom scale and demonstrate the potential of NMRd as a tool for probing the structure and dynamics of nanocrystalline materials.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.237
Threshold uncertainty score0.663

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0010.001
Scholarly communication0.0000.000
Open science0.0010.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.029
GPT teacher head0.291
Teacher spread0.262 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designTheoretical or conceptual
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations11
Published2022
Admission routes2
Has abstractyes

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