Evidence map›Paper›PMID 32770012›Full record

ArticleScientific reports2020

Modeling and scale-bridging using machine learning: nanoconfinement effects in porous media.

Nicholas Lubbers, Animesh Agarwal, Yu Chen, Soyoun Son, Mohamed Mehana, Qinjun Kang, Satish Karra, Christoph Junghans, Timothy C Germann, Hari S Viswanathan

Open access · goldAbstract read
In one paragraph

Article in Scientific reports, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
4.8field-weighted citation impact, top 3% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

8 citing papers in PubMed, 47 citations in OpenAlex.

  1. Colloid Transport in Bicontinuous Nanoporous Media.Langmuir : the ACS journal of surfaces and colloids · 2024
    Article
  2. Review
  3. Article
  4. Article
  5. Review
  6. Article
  7. Article
  8. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

10 authors at 1 institution in 2 countries.

Nicholas LubbersInformation Sciences Group, Computer, Computational and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA. nlubbers@lanl.gov.
Animesh AgarwalTheoretical Biology and Biophysics Group, Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA.
Yu ChenComputational Earth Science Group, Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA.
Soyoun SonInstitut des Sciences de la Terre, Université Grenoble Alpes, Grenoble, France.
Mohamed MehanaComputational Earth Science Group, Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA.
Qinjun KangComputational Earth Science Group, Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA.
Satish KarraComputational Earth Science Group, Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA.
Christoph JunghansApplied Computer Science Group, Computer, Computational and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA.
Timothy C GermannPhysics and Chemistry of Materials Group, Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA.
Hari S ViswanathanComputational Earth Science Group, Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA. viswana@lanl.gov.
Los Alamos National Laboratory · US

Funding

Los Alamos National Laboratory 20190005DR
6 · The paper itself

Abstract

Fine-scale models that represent first-principles physics are challenging to represent at larger scales of interest in many application areas. In nanoporous media such as tight-shale formations, where the typical pore size is less than 50 nm, confinement effects play a significant role in how fluids behave. At these scales, fluids are under confinement, affecting key properties such as density, viscosity, adsorption, etc. Pore-scale Lattice Boltzmann Methods (LBM) can simulate flow in complex pore structures relevant to predicting hydrocarbon production, but must be corrected to account for confinement effects. Molecular dynamics (MD) can model confinement effects but is computationally expensive in comparison. The hurdle to bridging MD with LBM is the computational expense of MD simulations needed to perform this correction. Here, we build a Machine Learning (ML) surrogate model that captures adsorption effects across a wide range of parameter space and bridges the MD and LBM scales using a relatively small number of MD calculations. The model computes upscaled adsorption parameters across varying density, temperature, and pore width. The ML model is 7 orders of magnitude faster than brute force MD. This workflow is agnostic to the physical system and could be generalized to further scale-bridging applications.

Identifiers

PMID32770012
PMCPMC7414857
OpenAlexW3047754677

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.