Uncertainty Quantification and Multiscale Materials Modeling Workshop

June 13-15, 2011

Santa Fe, NM

Eldorado Hotel and Spa

Workshop objective: The
 purpose
 of
 this
 workshop
 is
 to
 discuss
 methods
 of
 integrating
 Uncertainty
 Quantification 
(UQ) 
with 
Multiscale
 Materials 
Modeling 
(MMM)
 and
 Analysis. 

While
 Multiscale
 integration
 has
 long
 been
 a
 theme
 in
 the
 materials 
modeling
 community,
 particularly
 emphasized
 in
 the
 ASC,
 PSAAP
 and
 NEAMS
 programs,
 fully
 integrated
 simulations
 are
 quite
 rare.
 
 The
 typical
 paradigm
 is
 to
 establish
 a
 multilevel
 hierarchy
 (e.g.,
 atomistic,
 single
 crystal,
 polycrystal
 and
 continuum)
 and
 to
 pass
 parameters
 between
 the
 levels, 
especially 
from
 the 
lower
 length 
scale 
upwards.
 
Still
 the
 lower
 length
 scale
 simulations
 are
 performed
 on
 fairly
 homogeneous samples
 so

that
 data
 extraction
 is
 simplified.
 
 Consequently,
 the
 full‐range
 of
 variations
 and
 uncertainties
 from
 gradients
 and
 heterogeneities
 of
 real
 materials
 may
 not
 be
 adequately
 explored.
 
 From
 a
 top‐down
 approach,
 it
 is
 expected
 that
 the
 lower
 lengths
 scales 
will 
be 
capturing
 the 
effects 
of 
the 
internal 
fluctuations 
and 
variations
 of
 the
 materials.
 
 However,
 the
 metrics
 used
 to
 describe
 these
 heterogeneous
 characteristics
 are 
rather
 primitive,
 so
 that 
one
 does
 not
 have
 a
 sound
 foundation
 of

relating
 a
 sufficient
 number
 statistically
 representative
 samples
 to
 some
 desired
 tolerance
 of
 the
 results.
 
 Understanding
 the
 sensitivity
 of
 the
 results
 to
 such
 a
 distribution
 of
 realistic
 samples,
 and
 especially
 properly
 accounting
 for
 the
 weighting
 of
 extreme
 events
 in
 the
 overall
 material
 that
 might
 be
 controlling
 the
 effective
 “bulk”
 response
 are
 topics
 that
 have
 not
 been
 properly
 addressed.
 
 The
 tools
 of
 UQ
 to
 characterize
 these
 and
 to
 more
 completely
 relate
 information
 from
 experimental 
studies 
on 
in completely 
characterized 
samples 
need 
to 
be 
more 
fully
 developed.


The
 goal
 of
 this 
workshop
 is
 to 
bring 
together
 experts
 in
 various
 aspects
 of 
Materials
 Modeling 
and 
Uncertainty 
Quantification 
to 
discuss 
these 
issues.

One 
fundamental
 impediment
 is
 communication
 of
 what
 information
 the
 various
 techniques
 work
 with
 and
 generate,
 and
 what
 dimensionality
 (complexity)
 of
 data
 they
 can
 effectively
 handle.
 
 The
 framework
 is
 to
 have
 alternating
 sessions
 of
 Materials
 Modeling
 and
 Uncertainty
 Quantification,
 with
 all
 members
 of
 the
 workshop
 participating.

 Each
 session
 will
 be
 lead
 off
 by
 a
 plenary
 speaker
 who
 should 
frame
 the
 fundamental
 topics
 of
 the
 session
 in
 a
 manner
 that
 can
 be
 appreciated
 by
 the
 entire
 audience.

 Subsequent 
talks
 in
 the 
session
 should
 elaborate 
on
 these 
issues.

 The
 session
 would
 be
 concluded
 by
 a
 general
 discussion
 of
 the
 topics,
 lead
 by
 a
 selected
 panel
 that
 should
 identify 
paths 
forward
 for the 
integration
 of
 UQ 
and 
MM.

 The
 output
 of
 the
 workshop
 will
 be
 a
 white
 paper
 that
 summarizes
 these
 discussions.

 The
 session
 chairs
 and
 panel
 leads
 (and
 other
 interested
 participants)
 will
 be
 begin
 drafting
 these 
summaries
 on
 the
 last
 afternoon
 of
 the 
workshop.

 The
 final
 document
 will
 be
 distributed
 to
 all
 of
 the
 participants.

Registration for the workshop is online.  Information about the hotel is available here.